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+ -122:sc= 0.0916 (180deg=0) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0.103 USER MOD Set 2.1: A 43 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 64 MET CE :methyl -151:sc= -0.0303 (180deg=-1.44!) USER MOD Set 3.1: A 33 TYR OH : rot 180:sc= 0.287 USER MOD Set 3.2: A 42 GLN : amide:sc= 0.355 X(o=0.64,f=0.71) 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 -177:sc= 1.11 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.819 K(o=0.82,f=-3.8!) 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+ -167:sc= 1.17 (180deg=0.853) USER MOD Single : A 61 ASN : amide:sc= -0.239 X(o=-0.24,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.197 X(o=0.2,f=0) USER MOD Single : A 78 MET CE :methyl 173:sc= -0.11 (180deg=-0.118) USER MOD Single : A 80 GLN : amide:sc= -0.0613 K(o=-0.061,f=-0.98) USER MOD Single : A 81 TYR OH : rot -159:sc= 0.254 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc= 0.0388 K(o=0.039,f=-0.85) USER MOD Single : A 91 LYS NZ :NH3+ -179:sc= 0.726 (180deg=0.725) USER MOD Single : A 93 LYS NZ :NH3+ 155:sc= 1.16 (180deg=0.712) USER MOD ----------------------------------------------------------------- ATOM 174 N LEU A 14 -10.402 14.295 3.090 1.00 0.00 N ATOM 175 CA LEU A 14 -9.102 14.751 3.583 1.00 0.00 C ATOM 176 C LEU A 14 -7.983 14.513 2.551 1.00 0.00 C ATOM 177 O LEU A 14 -6.831 14.881 2.792 1.00 0.00 O ATOM 178 CB LEU A 14 -8.809 14.031 4.915 1.00 0.00 C ATOM 179 CG LEU A 14 -9.945 14.161 5.962 1.00 0.00 C ATOM 180 CD1 LEU A 14 -10.558 12.787 6.266 1.00 0.00 C ATOM 181 CD2 LEU A 14 -9.427 14.808 7.253 1.00 0.00 C ATOM 0 HA LEU A 14 -9.134 15.828 3.748 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.632 12.974 4.714 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.889 14.433 5.339 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.719 14.804 5.542 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.353 12.898 7.003 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.969 12.361 5.350 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.788 12.124 6.661 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.242 14.888 7.972 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.631 14.194 7.674 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.039 15.802 7.031 1.00 0.00 H new ATOM 193 N LEU A 15 -8.314 13.886 1.412 1.00 0.00 N ATOM 194 CA LEU A 15 -7.374 13.519 0.349 1.00 0.00 C ATOM 195 C LEU A 15 -7.158 14.654 -0.663 1.00 0.00 C ATOM 196 O LEU A 15 -7.706 15.752 -0.557 1.00 0.00 O ATOM 197 CB LEU A 15 -7.851 12.231 -0.360 1.00 0.00 C ATOM 198 CG LEU A 15 -8.217 11.040 0.553 1.00 0.00 C ATOM 199 CD1 LEU A 15 -8.629 9.842 -0.312 1.00 0.00 C ATOM 200 CD2 LEU A 15 -7.059 10.641 1.481 1.00 0.00 C ATOM 0 H LEU A 15 -9.274 13.613 1.202 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.408 13.333 0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.723 12.477 -0.966 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.067 11.908 -1.045 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.048 11.350 1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.888 9.001 0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.492 10.112 -0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.801 9.561 -0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.365 9.800 2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.195 10.354 0.882 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.795 11.486 2.117 1.00 0.00 H new ATOM 212 N SER A 16 -6.358 14.357 -1.682 1.00 0.00 N ATOM 213 CA SER A 16 -6.060 15.214 -2.820 1.00 0.00 C ATOM 214 C SER A 16 -6.962 14.895 -4.024 1.00 0.00 C ATOM 215 O SER A 16 -7.440 13.761 -4.154 1.00 0.00 O ATOM 216 CB SER A 16 -4.596 14.972 -3.195 1.00 0.00 C ATOM 217 OG SER A 16 -3.708 15.699 -2.359 1.00 0.00 O ATOM 0 H SER A 16 -5.874 13.461 -1.737 1.00 0.00 H new ATOM 0 HA SER A 16 -6.240 16.255 -2.552 1.00 0.00 H new ATOM 0 HB2 SER A 16 -4.374 13.907 -3.122 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.435 15.261 -4.234 1.00 0.00 H new ATOM 0 HG SER A 16 -2.783 15.518 -2.628 1.00 0.00 H new ATOM 223 N PRO A 17 -7.129 15.845 -4.965 1.00 0.00 N ATOM 224 CA PRO A 17 -7.858 15.620 -6.209 1.00 0.00 C ATOM 225 C PRO A 17 -7.265 14.466 -7.023 1.00 0.00 C ATOM 226 O PRO A 17 -8.006 13.741 -7.675 1.00 0.00 O ATOM 227 CB PRO A 17 -7.813 16.955 -6.960 1.00 0.00 C ATOM 228 CG PRO A 17 -6.558 17.641 -6.416 1.00 0.00 C ATOM 229 CD PRO A 17 -6.494 17.155 -4.971 1.00 0.00 C ATOM 0 HA PRO A 17 -8.887 15.315 -6.019 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.751 16.805 -8.038 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -8.707 17.550 -6.772 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.668 17.356 -6.977 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.636 18.727 -6.473 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.462 17.091 -4.625 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.012 17.844 -4.303 1.00 0.00 H new ATOM 237 N GLU A 18 -5.951 14.237 -6.918 1.00 0.00 N ATOM 238 CA GLU A 18 -5.225 13.183 -7.638 1.00 0.00 C ATOM 239 C GLU A 18 -5.401 11.781 -7.017 1.00 0.00 C ATOM 240 O GLU A 18 -5.069 10.781 -7.653 1.00 0.00 O ATOM 241 CB GLU A 18 -3.728 13.535 -7.712 1.00 0.00 C ATOM 242 CG GLU A 18 -3.460 14.942 -8.267 1.00 0.00 C ATOM 243 CD GLU A 18 -1.960 15.160 -8.518 1.00 0.00 C ATOM 244 OE1 GLU A 18 -1.238 15.569 -7.578 1.00 0.00 O ATOM 245 OE2 GLU A 18 -1.493 14.932 -9.659 1.00 0.00 O ATOM 0 H GLU A 18 -5.347 14.794 -6.314 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.656 13.138 -8.638 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.294 13.457 -6.715 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.220 12.802 -8.339 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.012 15.081 -9.197 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.827 15.690 -7.564 1.00 0.00 H new ATOM 252 N GLU A 19 -5.941 11.694 -5.796 1.00 0.00 N ATOM 253 CA GLU A 19 -6.291 10.445 -5.116 1.00 0.00 C ATOM 254 C GLU A 19 -7.714 10.018 -5.478 1.00 0.00 C ATOM 255 O GLU A 19 -7.957 8.888 -5.898 1.00 0.00 O ATOM 256 CB GLU A 19 -6.216 10.650 -3.596 1.00 0.00 C ATOM 257 CG GLU A 19 -4.793 10.634 -3.042 1.00 0.00 C ATOM 258 CD GLU A 19 -4.174 9.232 -3.057 1.00 0.00 C ATOM 259 OE1 GLU A 19 -4.722 8.317 -2.402 1.00 0.00 O ATOM 260 OE2 GLU A 19 -3.117 9.032 -3.697 1.00 0.00 O ATOM 0 H GLU A 19 -6.153 12.520 -5.236 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.589 9.673 -5.431 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.684 11.602 -3.343 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.796 9.869 -3.104 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.170 11.309 -3.629 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.800 11.014 -2.020 1.00 0.00 H new ATOM 267 N LEU A 20 -8.660 10.945 -5.336 1.00 0.00 N ATOM 268 CA LEU A 20 -10.090 10.734 -5.581 1.00 0.00 C ATOM 269 C LEU A 20 -10.341 10.386 -7.049 1.00 0.00 C ATOM 270 O LEU A 20 -10.975 9.377 -7.351 1.00 0.00 O ATOM 271 CB LEU A 20 -10.840 12.016 -5.192 1.00 0.00 C ATOM 272 CG LEU A 20 -10.602 12.462 -3.732 1.00 0.00 C ATOM 273 CD1 LEU A 20 -10.707 13.985 -3.681 1.00 0.00 C ATOM 274 CD2 LEU A 20 -11.573 11.772 -2.767 1.00 0.00 C ATOM 0 H LEU A 20 -8.447 11.897 -5.037 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.449 9.898 -4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.536 12.821 -5.862 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -11.908 11.861 -5.345 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.607 12.162 -3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.543 14.327 -2.659 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.954 14.424 -4.336 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -11.699 14.293 -4.011 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -11.376 12.110 -1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.598 12.023 -3.041 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.436 10.692 -2.824 1.00 0.00 H new ATOM 286 N LYS A 21 -9.772 11.176 -7.965 1.00 0.00 N ATOM 287 CA LYS A 21 -9.841 10.902 -9.416 1.00 0.00 C ATOM 288 C LYS A 21 -9.100 9.616 -9.853 1.00 0.00 C ATOM 289 O LYS A 21 -9.301 9.155 -10.978 1.00 0.00 O ATOM 290 CB LYS A 21 -9.346 12.119 -10.221 1.00 0.00 C ATOM 291 CG LYS A 21 -10.391 13.227 -10.451 1.00 0.00 C ATOM 292 CD LYS A 21 -11.184 13.668 -9.211 1.00 0.00 C ATOM 293 CE LYS A 21 -12.021 14.912 -9.544 1.00 0.00 C ATOM 294 NZ LYS A 21 -12.828 15.369 -8.383 1.00 0.00 N ATOM 0 H LYS A 21 -9.251 12.021 -7.730 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.894 10.723 -9.636 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.490 12.552 -9.704 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.990 11.772 -11.191 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.883 14.099 -10.863 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.097 12.883 -11.207 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.834 12.859 -8.877 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.501 13.887 -8.390 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.361 15.717 -9.866 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.683 14.690 -10.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.377 16.210 -8.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.477 14.611 -8.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.195 15.606 -7.592 1.00 0.00 H new ATOM 308 N ALA A 22 -8.282 9.011 -8.982 1.00 0.00 N ATOM 309 CA ALA A 22 -7.658 7.702 -9.206 1.00 0.00 C ATOM 310 C ALA A 22 -8.508 6.549 -8.633 1.00 0.00 C ATOM 311 O ALA A 22 -8.862 5.624 -9.364 1.00 0.00 O ATOM 312 CB ALA A 22 -6.234 7.731 -8.623 1.00 0.00 C ATOM 0 H ALA A 22 -8.031 9.426 -8.085 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.598 7.508 -10.277 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.756 6.764 -8.782 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.653 8.509 -9.119 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.283 7.941 -7.554 1.00 0.00 H new ATOM 391 N GLU A 29 -12.887 1.861 -3.409 1.00 0.00 N ATOM 392 CA GLU A 29 -12.124 0.970 -2.533 1.00 0.00 C ATOM 393 C GLU A 29 -10.612 1.198 -2.663 1.00 0.00 C ATOM 394 O GLU A 29 -10.177 2.013 -3.471 1.00 0.00 O ATOM 395 CB GLU A 29 -12.471 -0.489 -2.862 1.00 0.00 C ATOM 396 CG GLU A 29 -13.098 -1.235 -1.675 1.00 0.00 C ATOM 397 CD GLU A 29 -14.424 -0.604 -1.215 1.00 0.00 C ATOM 398 OE1 GLU A 29 -15.429 -0.683 -1.958 1.00 0.00 O ATOM 399 OE2 GLU A 29 -14.472 -0.047 -0.093 1.00 0.00 O ATOM 0 HA GLU A 29 -12.398 1.192 -1.502 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.161 -0.512 -3.705 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.567 -1.011 -3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.272 -2.274 -1.954 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.395 -1.242 -0.842 1.00 0.00 H new ATOM 406 N TYR A 30 -9.811 0.460 -1.883 1.00 0.00 N ATOM 407 CA TYR A 30 -8.342 0.498 -1.879 1.00 0.00 C ATOM 408 C TYR A 30 -7.720 -0.618 -1.021 1.00 0.00 C ATOM 409 O TYR A 30 -8.315 -1.072 -0.039 1.00 0.00 O ATOM 410 CB TYR A 30 -7.815 1.867 -1.415 1.00 0.00 C ATOM 411 CG TYR A 30 -8.206 2.249 0.000 1.00 0.00 C ATOM 412 CD1 TYR A 30 -9.522 2.671 0.275 1.00 0.00 C ATOM 413 CD2 TYR A 30 -7.257 2.177 1.038 1.00 0.00 C ATOM 414 CE1 TYR A 30 -9.886 3.049 1.582 1.00 0.00 C ATOM 415 CE2 TYR A 30 -7.614 2.559 2.344 1.00 0.00 C ATOM 416 CZ TYR A 30 -8.929 3.003 2.621 1.00 0.00 C ATOM 417 OH TYR A 30 -9.281 3.380 3.881 1.00 0.00 O ATOM 0 H TYR A 30 -10.185 -0.208 -1.209 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.037 0.331 -2.912 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.728 1.867 -1.490 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.182 2.633 -2.098 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -10.254 2.705 -0.519 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -6.256 1.829 0.832 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -10.895 3.374 1.790 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.883 2.513 3.137 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.497 3.335 4.467 1.00 0.00 H new ATOM 427 N ALA A 31 -6.503 -1.033 -1.382 1.00 0.00 N ATOM 428 CA ALA A 31 -5.723 -2.067 -0.695 1.00 0.00 C ATOM 429 C ALA A 31 -4.214 -1.901 -0.925 1.00 0.00 C ATOM 430 O ALA A 31 -3.782 -1.498 -2.004 1.00 0.00 O ATOM 431 CB ALA A 31 -6.205 -3.442 -1.177 1.00 0.00 C ATOM 0 H ALA A 31 -6.016 -0.645 -2.190 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.881 -1.972 0.379 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.635 -4.224 -0.675 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.263 -3.559 -0.944 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.060 -3.521 -2.254 1.00 0.00 H new ATOM 437 N TRP A 32 -3.413 -2.250 0.086 1.00 0.00 N ATOM 438 CA TRP A 32 -1.949 -2.292 0.008 1.00 0.00 C ATOM 439 C TRP A 32 -1.433 -3.681 -0.394 1.00 0.00 C ATOM 440 O TRP A 32 -1.983 -4.710 0.009 1.00 0.00 O ATOM 441 CB TRP A 32 -1.354 -1.869 1.357 1.00 0.00 C ATOM 442 CG TRP A 32 -1.376 -0.406 1.645 1.00 0.00 C ATOM 443 CD1 TRP A 32 -2.414 0.294 2.152 1.00 0.00 C ATOM 444 CD2 TRP A 32 -0.295 0.554 1.449 1.00 0.00 C ATOM 445 NE1 TRP A 32 -2.046 1.616 2.306 1.00 0.00 N ATOM 446 CE2 TRP A 32 -0.746 1.832 1.899 1.00 0.00 C ATOM 447 CE3 TRP A 32 1.023 0.473 0.941 1.00 0.00 C ATOM 448 CZ2 TRP A 32 0.080 2.965 1.873 1.00 0.00 C ATOM 449 CZ3 TRP A 32 1.838 1.616 0.868 1.00 0.00 C ATOM 450 CH2 TRP A 32 1.370 2.852 1.339 1.00 0.00 C ATOM 0 H TRP A 32 -3.772 -2.517 1.002 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.631 -1.597 -0.769 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -1.896 -2.385 2.150 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -0.321 -2.214 1.401 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -3.382 -0.117 2.399 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.659 2.343 2.675 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.408 -0.479 0.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.273 3.910 2.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 2.830 1.542 0.447 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.008 3.722 1.290 1.00 0.00 H new ATOM 461 N TYR A 33 -0.322 -3.704 -1.134 1.00 0.00 N ATOM 462 CA TYR A 33 0.363 -4.910 -1.615 1.00 0.00 C ATOM 463 C TYR A 33 1.893 -4.800 -1.491 1.00 0.00 C ATOM 464 O TYR A 33 2.453 -3.704 -1.497 1.00 0.00 O ATOM 465 CB TYR A 33 -0.010 -5.167 -3.087 1.00 0.00 C ATOM 466 CG TYR A 33 -1.413 -5.681 -3.347 1.00 0.00 C ATOM 467 CD1 TYR A 33 -2.514 -4.802 -3.310 1.00 0.00 C ATOM 468 CD2 TYR A 33 -1.612 -7.035 -3.686 1.00 0.00 C ATOM 469 CE1 TYR A 33 -3.811 -5.280 -3.569 1.00 0.00 C ATOM 470 CE2 TYR A 33 -2.906 -7.516 -3.959 1.00 0.00 C ATOM 471 CZ TYR A 33 -4.012 -6.638 -3.894 1.00 0.00 C ATOM 472 OH TYR A 33 -5.270 -7.095 -4.143 1.00 0.00 O ATOM 0 H TYR A 33 0.146 -2.847 -1.428 1.00 0.00 H new ATOM 0 HA TYR A 33 0.037 -5.740 -0.989 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.121 -4.237 -3.640 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.699 -5.885 -3.499 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.361 -3.757 -3.082 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.767 -7.706 -3.736 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.654 -4.607 -3.519 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.054 -8.554 -4.218 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.235 -8.052 -4.352 1.00 0.00 H new ATOM 482 N TYR A 34 2.574 -5.946 -1.449 1.00 0.00 N ATOM 483 CA TYR A 34 4.039 -6.082 -1.442 1.00 0.00 C ATOM 484 C TYR A 34 4.493 -7.240 -2.345 1.00 0.00 C ATOM 485 O TYR A 34 3.766 -8.224 -2.489 1.00 0.00 O ATOM 486 CB TYR A 34 4.536 -6.297 -0.001 1.00 0.00 C ATOM 487 CG TYR A 34 4.139 -7.620 0.636 1.00 0.00 C ATOM 488 CD1 TYR A 34 2.872 -7.767 1.235 1.00 0.00 C ATOM 489 CD2 TYR A 34 5.033 -8.710 0.616 1.00 0.00 C ATOM 490 CE1 TYR A 34 2.489 -9.000 1.796 1.00 0.00 C ATOM 491 CE2 TYR A 34 4.659 -9.945 1.181 1.00 0.00 C ATOM 492 CZ TYR A 34 3.382 -10.095 1.770 1.00 0.00 C ATOM 493 OH TYR A 34 3.019 -11.294 2.304 1.00 0.00 O ATOM 0 H TYR A 34 2.101 -6.849 -1.417 1.00 0.00 H new ATOM 0 HA TYR A 34 4.472 -5.163 -1.837 1.00 0.00 H new ATOM 0 HB2 TYR A 34 5.623 -6.222 0.005 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.157 -5.486 0.621 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.191 -6.929 1.264 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.008 -8.598 0.166 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.513 -9.109 2.246 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.347 -10.777 1.164 1.00 0.00 H new ATOM 0 HH TYR A 34 3.753 -11.935 2.199 1.00 0.00 H new ATOM 503 N GLU A 35 5.683 -7.150 -2.946 1.00 0.00 N ATOM 504 CA GLU A 35 6.270 -8.282 -3.674 1.00 0.00 C ATOM 505 C GLU A 35 6.895 -9.288 -2.698 1.00 0.00 C ATOM 506 O GLU A 35 7.834 -8.961 -1.968 1.00 0.00 O ATOM 507 CB GLU A 35 7.316 -7.836 -4.708 1.00 0.00 C ATOM 508 CG GLU A 35 6.694 -7.124 -5.913 1.00 0.00 C ATOM 509 CD GLU A 35 7.619 -7.199 -7.140 1.00 0.00 C ATOM 510 OE1 GLU A 35 8.650 -6.489 -7.177 1.00 0.00 O ATOM 511 OE2 GLU A 35 7.331 -7.992 -8.070 1.00 0.00 O ATOM 0 H GLU A 35 6.259 -6.308 -2.944 1.00 0.00 H new ATOM 0 HA GLU A 35 5.456 -8.762 -4.217 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.033 -7.170 -4.228 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.872 -8.707 -5.054 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.732 -7.578 -6.151 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.501 -6.081 -5.663 1.00 0.00 H new ATOM 518 N GLY A 36 6.374 -10.518 -2.710 1.00 0.00 N ATOM 519 CA GLY A 36 6.951 -11.688 -2.037 1.00 0.00 C ATOM 520 C GLY A 36 7.722 -12.574 -3.022 1.00 0.00 C ATOM 521 O GLY A 36 8.192 -12.109 -4.064 1.00 0.00 O ATOM 0 H GLY A 36 5.509 -10.735 -3.205 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.619 -11.359 -1.241 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.157 -12.268 -1.568 1.00 0.00 H new ATOM 525 N ARG A 37 7.840 -13.868 -2.701 1.00 0.00 N ATOM 526 CA ARG A 37 8.580 -14.856 -3.504 1.00 0.00 C ATOM 527 C ARG A 37 7.969 -15.081 -4.903 1.00 0.00 C ATOM 528 O ARG A 37 8.698 -15.164 -5.892 1.00 0.00 O ATOM 529 CB ARG A 37 8.646 -16.172 -2.708 1.00 0.00 C ATOM 530 CG ARG A 37 9.562 -17.228 -3.356 1.00 0.00 C ATOM 531 CD ARG A 37 9.558 -18.550 -2.577 1.00 0.00 C ATOM 532 NE ARG A 37 8.251 -19.222 -2.675 1.00 0.00 N ATOM 533 CZ ARG A 37 7.873 -20.337 -2.067 1.00 0.00 C ATOM 534 NH1 ARG A 37 8.675 -21.011 -1.270 1.00 0.00 N ATOM 535 NH2 ARG A 37 6.653 -20.788 -2.266 1.00 0.00 N ATOM 0 H ARG A 37 7.418 -14.267 -1.863 1.00 0.00 H new ATOM 0 HA ARG A 37 9.583 -14.470 -3.687 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.002 -15.962 -1.699 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.641 -16.582 -2.612 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.237 -17.410 -4.380 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.580 -16.842 -3.409 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.337 -19.206 -2.965 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.794 -18.359 -1.530 1.00 0.00 H new ATOM 0 HE ARG A 37 7.559 -18.779 -3.279 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.625 -20.679 -1.102 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.347 -21.866 -0.820 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.016 -20.281 -2.880 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.345 -21.645 -1.806 1.00 0.00 H new ATOM 549 N ASN A 38 6.636 -15.179 -4.983 1.00 0.00 N ATOM 550 CA ASN A 38 5.898 -15.589 -6.194 1.00 0.00 C ATOM 551 C ASN A 38 5.151 -14.449 -6.930 1.00 0.00 C ATOM 552 O ASN A 38 4.636 -14.673 -8.029 1.00 0.00 O ATOM 553 CB ASN A 38 4.952 -16.748 -5.829 1.00 0.00 C ATOM 554 CG ASN A 38 5.702 -18.029 -5.488 1.00 0.00 C ATOM 555 OD1 ASN A 38 6.144 -18.236 -4.364 1.00 0.00 O ATOM 556 ND2 ASN A 38 5.866 -18.926 -6.439 1.00 0.00 N ATOM 0 H ASN A 38 6.024 -14.972 -4.194 1.00 0.00 H new ATOM 0 HA ASN A 38 6.642 -15.915 -6.920 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.335 -16.455 -4.979 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.276 -16.938 -6.663 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.362 -19.795 -6.240 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.497 -18.751 -7.374 1.00 0.00 H new ATOM 563 N GLY A 39 5.096 -13.237 -6.362 1.00 0.00 N ATOM 564 CA GLY A 39 4.444 -12.053 -6.947 1.00 0.00 C ATOM 565 C GLY A 39 3.931 -11.068 -5.896 1.00 0.00 C ATOM 566 O GLY A 39 4.356 -11.113 -4.740 1.00 0.00 O ATOM 0 H GLY A 39 5.517 -13.045 -5.453 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.151 -11.542 -7.600 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.610 -12.376 -7.571 1.00 0.00 H new ATOM 570 N TRP A 40 3.025 -10.174 -6.297 1.00 0.00 N ATOM 571 CA TRP A 40 2.333 -9.249 -5.395 1.00 0.00 C ATOM 572 C TRP A 40 1.322 -9.978 -4.490 1.00 0.00 C ATOM 573 O TRP A 40 0.496 -10.752 -4.976 1.00 0.00 O ATOM 574 CB TRP A 40 1.615 -8.166 -6.210 1.00 0.00 C ATOM 575 CG TRP A 40 2.492 -7.316 -7.072 1.00 0.00 C ATOM 576 CD1 TRP A 40 2.699 -7.499 -8.394 1.00 0.00 C ATOM 577 CD2 TRP A 40 3.285 -6.144 -6.702 1.00 0.00 C ATOM 578 NE1 TRP A 40 3.562 -6.534 -8.868 1.00 0.00 N ATOM 579 CE2 TRP A 40 3.940 -5.657 -7.875 1.00 0.00 C ATOM 580 CE3 TRP A 40 3.510 -5.437 -5.501 1.00 0.00 C ATOM 581 CZ2 TRP A 40 4.757 -4.515 -7.859 1.00 0.00 C ATOM 582 CZ3 TRP A 40 4.332 -4.294 -5.475 1.00 0.00 C ATOM 583 CH2 TRP A 40 4.947 -3.826 -6.650 1.00 0.00 C ATOM 0 H TRP A 40 2.747 -10.070 -7.273 1.00 0.00 H new ATOM 0 HA TRP A 40 3.084 -8.791 -4.751 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.871 -8.648 -6.844 1.00 0.00 H new ATOM 0 HB3 TRP A 40 1.075 -7.517 -5.521 1.00 0.00 H new ATOM 0 HD1 TRP A 40 2.255 -8.283 -8.990 1.00 0.00 H new ATOM 0 HE1 TRP A 40 3.881 -6.476 -9.835 1.00 0.00 H new ATOM 0 HE3 TRP A 40 3.045 -5.778 -4.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 5.233 -4.171 -8.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 4.492 -3.772 -4.543 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.563 -2.940 -6.623 1.00 0.00 H new ATOM 594 N TRP A 41 1.348 -9.666 -3.192 1.00 0.00 N ATOM 595 CA TRP A 41 0.458 -10.217 -2.164 1.00 0.00 C ATOM 596 C TRP A 41 -0.120 -9.097 -1.288 1.00 0.00 C ATOM 597 O TRP A 41 0.564 -8.113 -0.999 1.00 0.00 O ATOM 598 CB TRP A 41 1.226 -11.260 -1.337 1.00 0.00 C ATOM 599 CG TRP A 41 1.739 -12.409 -2.148 1.00 0.00 C ATOM 600 CD1 TRP A 41 3.035 -12.768 -2.289 1.00 0.00 C ATOM 601 CD2 TRP A 41 0.983 -13.303 -3.020 1.00 0.00 C ATOM 602 NE1 TRP A 41 3.134 -13.793 -3.210 1.00 0.00 N ATOM 603 CE2 TRP A 41 1.902 -14.129 -3.730 1.00 0.00 C ATOM 604 CE3 TRP A 41 -0.388 -13.465 -3.315 1.00 0.00 C ATOM 605 CZ2 TRP A 41 1.488 -15.034 -4.720 1.00 0.00 C ATOM 606 CZ3 TRP A 41 -0.816 -14.376 -4.294 1.00 0.00 C ATOM 607 CH2 TRP A 41 0.116 -15.156 -5.003 1.00 0.00 C ATOM 0 H TRP A 41 2.016 -8.996 -2.812 1.00 0.00 H new ATOM 0 HA TRP A 41 -0.389 -10.712 -2.638 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.066 -10.772 -0.842 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.572 -11.643 -0.553 1.00 0.00 H new ATOM 0 HD1 TRP A 41 3.866 -12.322 -1.762 1.00 0.00 H new ATOM 0 HE1 TRP A 41 4.010 -14.245 -3.473 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -1.120 -12.879 -2.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 2.213 -15.628 -5.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.870 -14.479 -4.505 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -0.221 -15.846 -5.762 1.00 0.00 H new ATOM 618 N GLN A 42 -1.395 -9.220 -0.909 1.00 0.00 N ATOM 619 CA GLN A 42 -2.125 -8.188 -0.168 1.00 0.00 C ATOM 620 C GLN A 42 -1.783 -8.245 1.333 1.00 0.00 C ATOM 621 O GLN A 42 -1.670 -9.327 1.915 1.00 0.00 O ATOM 622 CB GLN A 42 -3.635 -8.366 -0.412 1.00 0.00 C ATOM 623 CG GLN A 42 -4.442 -7.108 -0.054 1.00 0.00 C ATOM 624 CD GLN A 42 -5.950 -7.334 -0.197 1.00 0.00 C ATOM 625 OE1 GLN A 42 -6.649 -7.676 0.749 1.00 0.00 O ATOM 626 NE2 GLN A 42 -6.518 -7.165 -1.374 1.00 0.00 N ATOM 0 H GLN A 42 -1.955 -10.048 -1.110 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.826 -7.203 -0.525 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.803 -8.616 -1.460 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.998 -9.207 0.179 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.215 -6.811 0.970 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.136 -6.285 -0.700 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.955 -6.880 -2.176 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.520 -7.319 -1.483 1.00 0.00 H new ATOM 635 N TYR A 43 -1.644 -7.081 1.974 1.00 0.00 N ATOM 636 CA TYR A 43 -1.465 -6.971 3.430 1.00 0.00 C ATOM 637 C TYR A 43 -2.732 -7.331 4.234 1.00 0.00 C ATOM 638 O TYR A 43 -3.862 -7.208 3.752 1.00 0.00 O ATOM 639 CB TYR A 43 -1.017 -5.547 3.784 1.00 0.00 C ATOM 640 CG TYR A 43 0.451 -5.272 3.537 1.00 0.00 C ATOM 641 CD1 TYR A 43 1.409 -5.688 4.479 1.00 0.00 C ATOM 642 CD2 TYR A 43 0.855 -4.562 2.394 1.00 0.00 C ATOM 643 CE1 TYR A 43 2.762 -5.355 4.302 1.00 0.00 C ATOM 644 CE2 TYR A 43 2.203 -4.210 2.213 1.00 0.00 C ATOM 645 CZ TYR A 43 3.159 -4.605 3.174 1.00 0.00 C ATOM 646 OH TYR A 43 4.465 -4.277 3.001 1.00 0.00 O ATOM 0 H TYR A 43 -1.652 -6.180 1.496 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.702 -7.698 3.709 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.609 -4.839 3.205 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.237 -5.361 4.835 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.104 -6.264 5.340 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.124 -4.285 1.649 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.497 -5.672 5.027 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.506 -3.642 1.346 1.00 0.00 H new ATOM 0 HH TYR A 43 5.032 -4.968 3.403 1.00 0.00 H new ATOM 656 N ASP A 44 -2.540 -7.722 5.499 1.00 0.00 N ATOM 657 CA ASP A 44 -3.622 -7.901 6.476 1.00 0.00 C ATOM 658 C ASP A 44 -4.123 -6.543 6.997 1.00 0.00 C ATOM 659 O ASP A 44 -3.391 -5.555 7.000 1.00 0.00 O ATOM 660 CB ASP A 44 -3.135 -8.801 7.624 1.00 0.00 C ATOM 661 CG ASP A 44 -4.278 -9.540 8.340 1.00 0.00 C ATOM 662 OD1 ASP A 44 -5.151 -8.868 8.932 1.00 0.00 O ATOM 663 OD2 ASP A 44 -4.300 -10.792 8.309 1.00 0.00 O ATOM 0 H ASP A 44 -1.616 -7.926 5.879 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.467 -8.388 5.989 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.429 -9.532 7.230 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.593 -8.193 8.349 1.00 0.00 H new ATOM 668 N GLU A 45 -5.365 -6.506 7.478 1.00 0.00 N ATOM 669 CA GLU A 45 -6.033 -5.289 7.961 1.00 0.00 C ATOM 670 C GLU A 45 -5.432 -4.725 9.264 1.00 0.00 C ATOM 671 O GLU A 45 -5.576 -3.534 9.548 1.00 0.00 O ATOM 672 CB GLU A 45 -7.550 -5.521 8.090 1.00 0.00 C ATOM 673 CG GLU A 45 -7.940 -6.653 9.050 1.00 0.00 C ATOM 674 CD GLU A 45 -9.466 -6.727 9.220 1.00 0.00 C ATOM 675 OE1 GLU A 45 -10.138 -7.406 8.409 1.00 0.00 O ATOM 676 OE2 GLU A 45 -10.003 -6.109 10.170 1.00 0.00 O ATOM 0 H GLU A 45 -5.951 -7.338 7.546 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.856 -4.521 7.208 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.019 -4.597 8.428 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.956 -5.742 7.103 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.566 -7.603 8.669 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.469 -6.491 10.020 1.00 0.00 H new ATOM 683 N ARG A 46 -4.692 -5.548 10.023 1.00 0.00 N ATOM 684 CA ARG A 46 -3.898 -5.102 11.185 1.00 0.00 C ATOM 685 C ARG A 46 -2.723 -4.212 10.762 1.00 0.00 C ATOM 686 O ARG A 46 -2.311 -3.302 11.486 1.00 0.00 O ATOM 687 CB ARG A 46 -3.316 -6.301 11.951 1.00 0.00 C ATOM 688 CG ARG A 46 -4.366 -7.098 12.727 1.00 0.00 C ATOM 689 CD ARG A 46 -5.144 -8.081 11.854 1.00 0.00 C ATOM 690 NE ARG A 46 -6.007 -8.975 12.640 1.00 0.00 N ATOM 691 CZ ARG A 46 -6.759 -9.947 12.132 1.00 0.00 C ATOM 692 NH1 ARG A 46 -6.776 -10.214 10.843 1.00 0.00 N ATOM 693 NH2 ARG A 46 -7.514 -10.672 12.929 1.00 0.00 N ATOM 0 H ARG A 46 -4.625 -6.551 9.848 1.00 0.00 H new ATOM 0 HA ARG A 46 -4.581 -4.538 11.820 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.816 -6.965 11.245 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.556 -5.944 12.646 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.875 -7.646 13.531 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.066 -6.405 13.195 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.755 -7.525 11.143 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.442 -8.679 11.272 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.031 -8.839 13.651 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.201 -9.668 10.201 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.364 -10.967 10.486 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.521 -10.487 13.932 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.092 -11.419 12.544 1.00 0.00 H new ATOM 707 N THR A 47 -2.186 -4.527 9.584 1.00 0.00 N ATOM 708 CA THR A 47 -0.961 -3.976 8.992 1.00 0.00 C ATOM 709 C THR A 47 -1.243 -2.824 8.041 1.00 0.00 C ATOM 710 O THR A 47 -0.671 -1.752 8.213 1.00 0.00 O ATOM 711 CB THR A 47 -0.186 -5.097 8.296 1.00 0.00 C ATOM 712 OG1 THR A 47 0.071 -6.102 9.253 1.00 0.00 O ATOM 713 CG2 THR A 47 1.140 -4.589 7.743 1.00 0.00 C ATOM 0 H THR A 47 -2.622 -5.220 8.975 1.00 0.00 H new ATOM 0 HA THR A 47 -0.352 -3.561 9.795 1.00 0.00 H new ATOM 0 HB THR A 47 -0.776 -5.480 7.463 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.566 -6.835 8.832 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.668 -5.408 7.254 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.952 -3.795 7.020 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.749 -4.200 8.559 1.00 0.00 H new ATOM 721 N SER A 48 -2.135 -2.992 7.067 1.00 0.00 N ATOM 722 CA SER A 48 -2.416 -1.961 6.054 1.00 0.00 C ATOM 723 C SER A 48 -2.952 -0.654 6.655 1.00 0.00 C ATOM 724 O SER A 48 -2.646 0.426 6.135 1.00 0.00 O ATOM 725 CB SER A 48 -3.379 -2.490 4.983 1.00 0.00 C ATOM 726 OG SER A 48 -4.613 -2.906 5.548 1.00 0.00 O ATOM 0 H SER A 48 -2.686 -3.843 6.952 1.00 0.00 H new ATOM 0 HA SER A 48 -1.459 -1.725 5.589 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.562 -1.712 4.241 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.917 -3.327 4.460 1.00 0.00 H new ATOM 0 HG SER A 48 -5.203 -3.236 4.838 1.00 0.00 H new ATOM 732 N ARG A 49 -3.632 -0.727 7.813 1.00 0.00 N ATOM 733 CA ARG A 49 -4.064 0.458 8.556 1.00 0.00 C ATOM 734 C ARG A 49 -2.894 1.352 8.978 1.00 0.00 C ATOM 735 O ARG A 49 -3.071 2.561 9.078 1.00 0.00 O ATOM 736 CB ARG A 49 -4.979 0.079 9.732 1.00 0.00 C ATOM 737 CG ARG A 49 -4.268 -0.484 10.976 1.00 0.00 C ATOM 738 CD ARG A 49 -3.600 0.523 11.938 1.00 0.00 C ATOM 739 NE ARG A 49 -4.411 1.730 12.192 1.00 0.00 N ATOM 740 CZ ARG A 49 -3.955 2.981 12.264 1.00 0.00 C ATOM 741 NH1 ARG A 49 -2.677 3.283 12.312 1.00 0.00 N ATOM 742 NH2 ARG A 49 -4.787 3.996 12.292 1.00 0.00 N ATOM 0 H ARG A 49 -3.894 -1.608 8.254 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.659 1.064 7.873 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.544 0.963 10.028 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.701 -0.659 9.383 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.996 -1.060 11.546 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.503 -1.183 10.638 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.398 0.026 12.887 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.637 0.823 11.524 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.413 1.595 12.325 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.977 2.542 12.295 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.385 4.259 12.366 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.793 3.832 12.259 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.427 4.949 12.347 1.00 0.00 H new ATOM 756 N GLU A 50 -1.699 0.790 9.202 1.00 0.00 N ATOM 757 CA GLU A 50 -0.516 1.569 9.593 1.00 0.00 C ATOM 758 C GLU A 50 0.014 2.385 8.404 1.00 0.00 C ATOM 759 O GLU A 50 0.513 3.498 8.569 1.00 0.00 O ATOM 760 CB GLU A 50 0.604 0.647 10.121 1.00 0.00 C ATOM 761 CG GLU A 50 0.226 -0.278 11.291 1.00 0.00 C ATOM 762 CD GLU A 50 0.140 0.456 12.642 1.00 0.00 C ATOM 763 OE1 GLU A 50 -0.605 1.458 12.747 1.00 0.00 O ATOM 764 OE2 GLU A 50 0.791 0.016 13.616 1.00 0.00 O ATOM 0 H GLU A 50 -1.525 -0.212 9.118 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.819 2.249 10.389 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.957 0.029 9.295 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.442 1.270 10.433 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.734 -0.748 11.078 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.963 -1.078 11.366 1.00 0.00 H new ATOM 771 N LEU A 51 -0.131 1.835 7.195 1.00 0.00 N ATOM 772 CA LEU A 51 0.426 2.356 5.949 1.00 0.00 C ATOM 773 C LEU A 51 -0.452 3.470 5.365 1.00 0.00 C ATOM 774 O LEU A 51 0.062 4.518 4.978 1.00 0.00 O ATOM 775 CB LEU A 51 0.576 1.184 4.958 1.00 0.00 C ATOM 776 CG LEU A 51 1.281 -0.074 5.501 1.00 0.00 C ATOM 777 CD1 LEU A 51 1.277 -1.155 4.413 1.00 0.00 C ATOM 778 CD2 LEU A 51 2.706 0.240 5.970 1.00 0.00 C ATOM 0 H LEU A 51 -0.664 0.977 7.055 1.00 0.00 H new ATOM 0 HA LEU A 51 1.402 2.801 6.143 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.417 0.898 4.611 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.128 1.539 4.088 1.00 0.00 H new ATOM 0 HG LEU A 51 0.739 -0.439 6.373 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.774 -2.050 4.787 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.249 -1.397 4.144 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.806 -0.788 3.533 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.174 -0.670 6.347 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.287 0.627 5.133 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.672 0.986 6.764 1.00 0.00 H new ATOM 790 N GLU A 52 -1.774 3.264 5.352 1.00 0.00 N ATOM 791 CA GLU A 52 -2.744 4.278 4.910 1.00 0.00 C ATOM 792 C GLU A 52 -2.826 5.503 5.846 1.00 0.00 C ATOM 793 O GLU A 52 -3.204 6.591 5.415 1.00 0.00 O ATOM 794 CB GLU A 52 -4.136 3.652 4.705 1.00 0.00 C ATOM 795 CG GLU A 52 -4.838 3.284 6.018 1.00 0.00 C ATOM 796 CD GLU A 52 -6.197 2.617 5.772 1.00 0.00 C ATOM 797 OE1 GLU A 52 -6.251 1.380 5.586 1.00 0.00 O ATOM 798 OE2 GLU A 52 -7.225 3.335 5.759 1.00 0.00 O ATOM 0 H GLU A 52 -2.204 2.388 5.648 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.376 4.651 3.954 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.762 4.351 4.150 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.037 2.757 4.091 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.202 2.611 6.594 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.978 4.182 6.619 1.00 0.00 H new ATOM 805 N ASP A 53 -2.461 5.338 7.121 1.00 0.00 N ATOM 806 CA ASP A 53 -2.496 6.395 8.138 1.00 0.00 C ATOM 807 C ASP A 53 -1.242 7.265 8.070 1.00 0.00 C ATOM 808 O ASP A 53 -1.299 8.477 8.238 1.00 0.00 O ATOM 809 CB ASP A 53 -2.608 5.711 9.508 1.00 0.00 C ATOM 810 CG ASP A 53 -2.987 6.609 10.693 1.00 0.00 C ATOM 811 OD1 ASP A 53 -3.560 7.705 10.497 1.00 0.00 O ATOM 812 OD2 ASP A 53 -2.776 6.151 11.844 1.00 0.00 O ATOM 0 H ASP A 53 -2.125 4.446 7.484 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.348 7.053 7.967 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.349 4.915 9.432 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.652 5.237 9.731 1.00 0.00 H new ATOM 817 N ALA A 54 -0.101 6.647 7.770 1.00 0.00 N ATOM 818 CA ALA A 54 1.210 7.291 7.723 1.00 0.00 C ATOM 819 C ALA A 54 1.313 8.427 6.688 1.00 0.00 C ATOM 820 O ALA A 54 1.727 9.533 7.052 1.00 0.00 O ATOM 821 CB ALA A 54 2.249 6.192 7.503 1.00 0.00 C ATOM 0 H ALA A 54 -0.063 5.653 7.546 1.00 0.00 H new ATOM 0 HA ALA A 54 1.392 7.801 8.669 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.244 6.635 7.462 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.203 5.478 8.325 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.042 5.678 6.564 1.00 0.00 H new ATOM 827 N PHE A 55 0.876 8.209 5.439 1.00 0.00 N ATOM 828 CA PHE A 55 0.852 9.282 4.430 1.00 0.00 C ATOM 829 C PHE A 55 -0.196 10.360 4.746 1.00 0.00 C ATOM 830 O PHE A 55 -0.086 11.500 4.297 1.00 0.00 O ATOM 831 CB PHE A 55 0.696 8.708 3.012 1.00 0.00 C ATOM 832 CG PHE A 55 -0.687 8.242 2.588 1.00 0.00 C ATOM 833 CD1 PHE A 55 -1.666 9.184 2.216 1.00 0.00 C ATOM 834 CD2 PHE A 55 -0.967 6.868 2.467 1.00 0.00 C ATOM 835 CE1 PHE A 55 -2.917 8.759 1.736 1.00 0.00 C ATOM 836 CE2 PHE A 55 -2.207 6.442 1.958 1.00 0.00 C ATOM 837 CZ PHE A 55 -3.187 7.386 1.600 1.00 0.00 C ATOM 0 H PHE A 55 0.537 7.307 5.104 1.00 0.00 H new ATOM 0 HA PHE A 55 1.818 9.786 4.470 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.026 9.468 2.304 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.379 7.864 2.914 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.454 10.240 2.300 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.228 6.139 2.766 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.670 9.487 1.472 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.408 5.387 1.842 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.144 7.057 1.222 1.00 0.00 H new ATOM 847 N SER A 56 -1.193 10.004 5.555 1.00 0.00 N ATOM 848 CA SER A 56 -2.237 10.915 6.044 1.00 0.00 C ATOM 849 C SER A 56 -1.763 11.772 7.238 1.00 0.00 C ATOM 850 O SER A 56 -2.176 12.923 7.392 1.00 0.00 O ATOM 851 CB SER A 56 -3.483 10.094 6.410 1.00 0.00 C ATOM 852 OG SER A 56 -4.656 10.896 6.381 1.00 0.00 O ATOM 0 H SER A 56 -1.303 9.050 5.900 1.00 0.00 H new ATOM 0 HA SER A 56 -2.479 11.619 5.248 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.591 9.263 5.713 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.359 9.663 7.404 1.00 0.00 H new ATOM 0 HG SER A 56 -5.433 10.347 6.616 1.00 0.00 H new ATOM 858 N LYS A 57 -0.834 11.250 8.056 1.00 0.00 N ATOM 859 CA LYS A 57 -0.211 11.959 9.183 1.00 0.00 C ATOM 860 C LYS A 57 0.856 12.960 8.713 1.00 0.00 C ATOM 861 O LYS A 57 0.930 14.076 9.237 1.00 0.00 O ATOM 862 CB LYS A 57 0.427 10.926 10.124 1.00 0.00 C ATOM 863 CG LYS A 57 -0.593 10.164 10.987 1.00 0.00 C ATOM 864 CD LYS A 57 -0.053 8.788 11.403 1.00 0.00 C ATOM 865 CE LYS A 57 1.313 8.841 12.105 1.00 0.00 C ATOM 866 NZ LYS A 57 1.174 9.023 13.576 1.00 0.00 N ATOM 0 H LYS A 57 -0.487 10.297 7.947 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.984 12.526 9.701 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.995 10.209 9.531 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.137 11.433 10.778 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.829 10.749 11.876 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.522 10.040 10.431 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.774 8.312 12.068 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.029 8.158 10.517 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.861 7.921 11.903 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.902 9.660 11.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.117 9.054 14.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.674 9.914 13.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.634 8.229 13.975 1.00 0.00 H new ATOM 880 N GLY A 58 1.679 12.561 7.733 1.00 0.00 N ATOM 881 CA GLY A 58 2.754 13.373 7.151 1.00 0.00 C ATOM 882 C GLY A 58 4.137 12.729 7.236 1.00 0.00 C ATOM 883 O GLY A 58 5.078 13.258 6.646 1.00 0.00 O ATOM 0 H GLY A 58 1.612 11.635 7.311 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.520 13.570 6.105 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.782 14.337 7.658 1.00 0.00 H new ATOM 887 N LYS A 59 4.284 11.599 7.941 1.00 0.00 N ATOM 888 CA LYS A 59 5.533 10.833 7.934 1.00 0.00 C ATOM 889 C LYS A 59 5.842 10.230 6.550 1.00 0.00 C ATOM 890 O LYS A 59 4.949 9.898 5.768 1.00 0.00 O ATOM 891 CB LYS A 59 5.543 9.767 9.049 1.00 0.00 C ATOM 892 CG LYS A 59 4.273 8.911 9.100 1.00 0.00 C ATOM 893 CD LYS A 59 4.441 7.626 9.919 1.00 0.00 C ATOM 894 CE LYS A 59 4.975 7.843 11.343 1.00 0.00 C ATOM 895 NZ LYS A 59 5.174 6.548 12.052 1.00 0.00 N ATOM 0 H LYS A 59 3.550 11.196 8.524 1.00 0.00 H new ATOM 0 HA LYS A 59 6.341 11.533 8.147 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.404 9.114 8.906 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.674 10.262 10.011 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.462 9.502 9.526 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.978 8.650 8.084 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.477 7.120 9.979 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.119 6.958 9.388 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.920 8.385 11.300 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.277 8.463 11.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.608 6.539 12.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.874 5.765 11.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.180 6.434 12.291 1.00 0.00 H new ATOM 909 N LYS A 60 7.135 10.054 6.270 1.00 0.00 N ATOM 910 CA LYS A 60 7.661 9.546 4.988 1.00 0.00 C ATOM 911 C LYS A 60 8.017 8.045 5.021 1.00 0.00 C ATOM 912 O LYS A 60 8.460 7.480 4.023 1.00 0.00 O ATOM 913 CB LYS A 60 8.803 10.474 4.534 1.00 0.00 C ATOM 914 CG LYS A 60 10.152 10.281 5.241 1.00 0.00 C ATOM 915 CD LYS A 60 11.055 11.509 5.036 1.00 0.00 C ATOM 916 CE LYS A 60 12.455 11.311 5.638 1.00 0.00 C ATOM 917 NZ LYS A 60 13.407 10.710 4.669 1.00 0.00 N ATOM 0 H LYS A 60 7.871 10.265 6.944 1.00 0.00 H new ATOM 0 HA LYS A 60 6.878 9.579 4.231 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.954 10.334 3.464 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.484 11.506 4.679 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.989 10.117 6.306 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.647 9.391 4.853 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.146 11.716 3.970 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.586 12.382 5.491 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.842 12.273 5.975 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.383 10.671 6.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.261 10.394 5.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.959 9.896 4.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.669 11.419 3.954 1.00 0.00 H new ATOM 931 N ASN A 61 7.809 7.397 6.170 1.00 0.00 N ATOM 932 CA ASN A 61 8.029 5.969 6.423 1.00 0.00 C ATOM 933 C ASN A 61 7.467 5.589 7.802 1.00 0.00 C ATOM 934 O ASN A 61 7.375 6.439 8.692 1.00 0.00 O ATOM 935 CB ASN A 61 9.518 5.576 6.314 1.00 0.00 C ATOM 936 CG ASN A 61 10.386 6.236 7.378 1.00 0.00 C ATOM 937 OD1 ASN A 61 10.720 5.651 8.398 1.00 0.00 O ATOM 938 ND2 ASN A 61 10.750 7.485 7.159 1.00 0.00 N ATOM 0 H ASN A 61 7.462 7.882 6.997 1.00 0.00 H new ATOM 0 HA ASN A 61 7.499 5.412 5.650 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.610 4.493 6.398 1.00 0.00 H new ATOM 0 HB3 ASN A 61 9.890 5.852 5.327 1.00 0.00 H new ATOM 0 HD21 ASN A 61 11.319 7.978 7.847 1.00 0.00 H new ATOM 0 HD22 ASN A 61 10.462 7.957 6.302 1.00 0.00 H new ATOM 945 N THR A 62 7.088 4.323 7.967 1.00 0.00 N ATOM 946 CA THR A 62 6.377 3.787 9.143 1.00 0.00 C ATOM 947 C THR A 62 6.782 2.342 9.424 1.00 0.00 C ATOM 948 O THR A 62 7.508 1.748 8.639 1.00 0.00 O ATOM 949 CB THR A 62 4.866 3.988 8.988 1.00 0.00 C ATOM 950 OG1 THR A 62 4.303 3.939 10.278 1.00 0.00 O ATOM 951 CG2 THR A 62 4.200 2.953 8.080 1.00 0.00 C ATOM 0 H THR A 62 7.271 3.609 7.262 1.00 0.00 H new ATOM 0 HA THR A 62 6.673 4.348 10.029 1.00 0.00 H new ATOM 0 HB THR A 62 4.694 4.950 8.505 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.333 4.066 10.217 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.131 3.158 8.017 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.639 3.007 7.084 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.355 1.955 8.491 1.00 0.00 H new ATOM 959 N GLU A 63 6.337 1.783 10.544 1.00 0.00 N ATOM 960 CA GLU A 63 6.756 0.478 11.061 1.00 0.00 C ATOM 961 C GLU A 63 5.569 -0.481 11.218 1.00 0.00 C ATOM 962 O GLU A 63 4.446 -0.070 11.520 1.00 0.00 O ATOM 963 CB GLU A 63 7.454 0.673 12.414 1.00 0.00 C ATOM 964 CG GLU A 63 8.845 1.286 12.238 1.00 0.00 C ATOM 965 CD GLU A 63 9.497 1.580 13.593 1.00 0.00 C ATOM 966 OE1 GLU A 63 9.200 2.637 14.199 1.00 0.00 O ATOM 967 OE2 GLU A 63 10.329 0.765 14.049 1.00 0.00 O ATOM 0 H GLU A 63 5.649 2.241 11.142 1.00 0.00 H new ATOM 0 HA GLU A 63 7.444 0.031 10.343 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.847 1.319 13.049 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.539 -0.287 12.924 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.476 0.604 11.668 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.769 2.207 11.661 1.00 0.00 H new ATOM 974 N MET A 64 5.842 -1.775 11.034 1.00 0.00 N ATOM 975 CA MET A 64 4.851 -2.855 11.030 1.00 0.00 C ATOM 976 C MET A 64 5.466 -4.201 11.431 1.00 0.00 C ATOM 977 O MET A 64 6.627 -4.489 11.138 1.00 0.00 O ATOM 978 CB MET A 64 4.173 -2.952 9.651 1.00 0.00 C ATOM 979 CG MET A 64 5.180 -3.006 8.494 1.00 0.00 C ATOM 980 SD MET A 64 4.475 -3.323 6.861 1.00 0.00 S ATOM 981 CE MET A 64 6.018 -3.717 6.000 1.00 0.00 C ATOM 0 H MET A 64 6.792 -2.112 10.878 1.00 0.00 H new ATOM 0 HA MET A 64 4.096 -2.613 11.778 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.545 -3.843 9.622 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.515 -2.094 9.514 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.719 -2.059 8.460 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.914 -3.782 8.710 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.926 -3.448 4.948 1.00 0.00 H new ATOM 0 HE2 MET A 64 6.838 -3.156 6.448 1.00 0.00 H new ATOM 0 HE3 MET A 64 6.220 -4.785 6.085 1.00 0.00 H new ATOM 991 N LEU A 65 4.659 -5.031 12.092 1.00 0.00 N ATOM 992 CA LEU A 65 4.993 -6.387 12.521 1.00 0.00 C ATOM 993 C LEU A 65 4.331 -7.407 11.590 1.00 0.00 C ATOM 994 O LEU A 65 3.194 -7.226 11.151 1.00 0.00 O ATOM 995 CB LEU A 65 4.532 -6.581 13.984 1.00 0.00 C ATOM 996 CG LEU A 65 5.521 -7.298 14.922 1.00 0.00 C ATOM 997 CD1 LEU A 65 5.881 -8.724 14.502 1.00 0.00 C ATOM 998 CD2 LEU A 65 6.783 -6.453 15.101 1.00 0.00 C ATOM 0 H LEU A 65 3.711 -4.763 12.355 1.00 0.00 H new ATOM 0 HA LEU A 65 6.071 -6.541 12.471 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.310 -5.601 14.406 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.598 -7.143 13.977 1.00 0.00 H new ATOM 0 HG LEU A 65 5.001 -7.405 15.874 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.582 -9.149 15.221 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.978 -9.333 14.472 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.340 -8.707 13.514 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.475 -6.969 15.766 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.258 -6.298 14.132 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.517 -5.488 15.533 1.00 0.00 H new ATOM 1010 N ILE A 66 5.048 -8.493 11.315 1.00 0.00 N ATOM 1011 CA ILE A 66 4.601 -9.596 10.441 1.00 0.00 C ATOM 1012 C ILE A 66 4.590 -10.949 11.183 1.00 0.00 C ATOM 1013 O ILE A 66 4.458 -10.990 12.406 1.00 0.00 O ATOM 1014 CB ILE A 66 5.401 -9.586 9.119 1.00 0.00 C ATOM 1015 CG1 ILE A 66 6.881 -9.979 9.331 1.00 0.00 C ATOM 1016 CG2 ILE A 66 5.268 -8.223 8.409 1.00 0.00 C ATOM 1017 CD1 ILE A 66 7.286 -11.191 8.484 1.00 0.00 C ATOM 0 H ILE A 66 5.981 -8.643 11.699 1.00 0.00 H new ATOM 0 HA ILE A 66 3.559 -9.438 10.163 1.00 0.00 H new ATOM 0 HB ILE A 66 4.969 -10.347 8.469 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.520 -9.132 9.079 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.048 -10.202 10.385 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.839 -8.239 7.481 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.219 -8.030 8.186 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.652 -7.436 9.058 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.334 -11.429 8.667 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.667 -12.047 8.754 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.145 -10.960 7.428 1.00 0.00 H new ATOM 1029 N ALA A 67 4.747 -12.066 10.466 1.00 0.00 N ATOM 1030 CA ALA A 67 4.808 -13.425 11.013 1.00 0.00 C ATOM 1031 C ALA A 67 5.940 -13.683 12.038 1.00 0.00 C ATOM 1032 O ALA A 67 5.883 -14.680 12.763 1.00 0.00 O ATOM 1033 CB ALA A 67 4.964 -14.371 9.818 1.00 0.00 C ATOM 0 H ALA A 67 4.839 -12.048 9.450 1.00 0.00 H new ATOM 0 HA ALA A 67 3.893 -13.590 11.581 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.015 -15.400 10.173 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.109 -14.259 9.151 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.879 -14.128 9.279 1.00 0.00 H new ATOM 1039 N GLY A 68 6.951 -12.806 12.118 1.00 0.00 N ATOM 1040 CA GLY A 68 8.068 -12.932 13.067 1.00 0.00 C ATOM 1041 C GLY A 68 9.144 -11.840 13.022 1.00 0.00 C ATOM 1042 O GLY A 68 10.234 -12.060 13.550 1.00 0.00 O ATOM 0 H GLY A 68 7.017 -11.982 11.521 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.655 -12.960 14.075 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.553 -13.893 12.895 1.00 0.00 H new ATOM 1046 N PHE A 69 8.868 -10.688 12.393 1.00 0.00 N ATOM 1047 CA PHE A 69 9.858 -9.644 12.082 1.00 0.00 C ATOM 1048 C PHE A 69 9.230 -8.240 12.070 1.00 0.00 C ATOM 1049 O PHE A 69 8.046 -8.082 11.762 1.00 0.00 O ATOM 1050 CB PHE A 69 10.508 -9.929 10.712 1.00 0.00 C ATOM 1051 CG PHE A 69 11.326 -11.205 10.617 1.00 0.00 C ATOM 1052 CD1 PHE A 69 12.683 -11.195 10.994 1.00 0.00 C ATOM 1053 CD2 PHE A 69 10.743 -12.398 10.146 1.00 0.00 C ATOM 1054 CE1 PHE A 69 13.453 -12.370 10.896 1.00 0.00 C ATOM 1055 CE2 PHE A 69 11.512 -13.572 10.052 1.00 0.00 C ATOM 1056 CZ PHE A 69 12.866 -13.557 10.424 1.00 0.00 C ATOM 0 H PHE A 69 7.927 -10.450 12.078 1.00 0.00 H new ATOM 0 HA PHE A 69 10.614 -9.666 12.867 1.00 0.00 H new ATOM 0 HB2 PHE A 69 9.720 -9.969 9.959 1.00 0.00 H new ATOM 0 HB3 PHE A 69 11.152 -9.088 10.455 1.00 0.00 H new ATOM 0 HD1 PHE A 69 13.134 -10.284 11.359 1.00 0.00 H new ATOM 0 HD2 PHE A 69 9.703 -12.411 9.856 1.00 0.00 H new ATOM 0 HE1 PHE A 69 14.494 -12.359 11.183 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.061 -14.485 9.694 1.00 0.00 H new ATOM 0 HZ PHE A 69 13.457 -14.458 10.347 1.00 0.00 H new ATOM 1066 N LEU A 70 10.049 -7.222 12.366 1.00 0.00 N ATOM 1067 CA LEU A 70 9.705 -5.806 12.201 1.00 0.00 C ATOM 1068 C LEU A 70 10.211 -5.353 10.829 1.00 0.00 C ATOM 1069 O LEU A 70 11.404 -5.457 10.529 1.00 0.00 O ATOM 1070 CB LEU A 70 10.344 -4.984 13.344 1.00 0.00 C ATOM 1071 CG LEU A 70 9.837 -3.540 13.590 1.00 0.00 C ATOM 1072 CD1 LEU A 70 9.851 -2.619 12.362 1.00 0.00 C ATOM 1073 CD2 LEU A 70 8.431 -3.527 14.197 1.00 0.00 C ATOM 0 H LEU A 70 10.989 -7.365 12.735 1.00 0.00 H new ATOM 0 HA LEU A 70 8.627 -5.654 12.250 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.211 -5.544 14.270 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.416 -4.931 13.155 1.00 0.00 H new ATOM 0 HG LEU A 70 10.565 -3.136 14.293 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.478 -1.634 12.642 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.870 -2.528 11.987 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.215 -3.040 11.584 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.112 -2.497 14.354 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.737 -4.022 13.518 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.442 -4.053 15.152 1.00 0.00 H new ATOM 1085 N TYR A 71 9.309 -4.809 10.024 1.00 0.00 N ATOM 1086 CA TYR A 71 9.616 -4.164 8.746 1.00 0.00 C ATOM 1087 C TYR A 71 9.226 -2.676 8.755 1.00 0.00 C ATOM 1088 O TYR A 71 8.178 -2.283 9.265 1.00 0.00 O ATOM 1089 CB TYR A 71 8.927 -4.913 7.599 1.00 0.00 C ATOM 1090 CG TYR A 71 9.350 -6.358 7.373 1.00 0.00 C ATOM 1091 CD1 TYR A 71 10.692 -6.770 7.514 1.00 0.00 C ATOM 1092 CD2 TYR A 71 8.377 -7.306 7.006 1.00 0.00 C ATOM 1093 CE1 TYR A 71 11.042 -8.123 7.333 1.00 0.00 C ATOM 1094 CE2 TYR A 71 8.718 -8.657 6.836 1.00 0.00 C ATOM 1095 CZ TYR A 71 10.056 -9.074 7.001 1.00 0.00 C ATOM 1096 OH TYR A 71 10.410 -10.379 6.850 1.00 0.00 O ATOM 0 H TYR A 71 8.313 -4.802 10.245 1.00 0.00 H new ATOM 0 HA TYR A 71 10.694 -4.209 8.592 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.852 -4.898 7.780 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.103 -4.359 6.677 1.00 0.00 H new ATOM 0 HD1 TYR A 71 11.454 -6.046 7.762 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.356 -6.990 6.853 1.00 0.00 H new ATOM 0 HE1 TYR A 71 12.070 -8.433 7.449 1.00 0.00 H new ATOM 0 HE2 TYR A 71 7.956 -9.378 6.579 1.00 0.00 H new ATOM 0 HH TYR A 71 9.617 -10.909 6.623 1.00 0.00 H new ATOM 1106 N VAL A 72 10.092 -1.855 8.169 1.00 0.00 N ATOM 1107 CA VAL A 72 9.902 -0.426 7.917 1.00 0.00 C ATOM 1108 C VAL A 72 9.349 -0.290 6.498 1.00 0.00 C ATOM 1109 O VAL A 72 9.999 -0.719 5.547 1.00 0.00 O ATOM 1110 CB VAL A 72 11.225 0.361 8.054 1.00 0.00 C ATOM 1111 CG1 VAL A 72 10.999 1.877 7.915 1.00 0.00 C ATOM 1112 CG2 VAL A 72 11.932 0.077 9.391 1.00 0.00 C ATOM 0 H VAL A 72 10.998 -2.186 7.837 1.00 0.00 H new ATOM 0 HA VAL A 72 9.214 -0.009 8.652 1.00 0.00 H new ATOM 0 HB VAL A 72 11.865 0.018 7.241 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.951 2.398 8.017 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.570 2.093 6.936 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.315 2.216 8.693 1.00 0.00 H new ATOM 0 HG21 VAL A 72 12.857 0.652 9.443 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.280 0.364 10.216 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.161 -0.986 9.463 1.00 0.00 H new ATOM 1122 N ALA A 73 8.154 0.279 6.356 1.00 0.00 N ATOM 1123 CA ALA A 73 7.524 0.600 5.080 1.00 0.00 C ATOM 1124 C ALA A 73 7.822 2.060 4.706 1.00 0.00 C ATOM 1125 O ALA A 73 7.580 2.978 5.488 1.00 0.00 O ATOM 1126 CB ALA A 73 6.022 0.320 5.188 1.00 0.00 C ATOM 0 H ALA A 73 7.578 0.538 7.157 1.00 0.00 H new ATOM 0 HA ALA A 73 7.928 -0.023 4.282 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.539 0.556 4.240 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.864 -0.732 5.424 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.593 0.937 5.977 1.00 0.00 H new ATOM 1132 N ASP A 74 8.361 2.265 3.509 1.00 0.00 N ATOM 1133 CA ASP A 74 8.924 3.521 3.016 1.00 0.00 C ATOM 1134 C ASP A 74 8.005 4.132 1.948 1.00 0.00 C ATOM 1135 O ASP A 74 7.866 3.580 0.852 1.00 0.00 O ATOM 1136 CB ASP A 74 10.327 3.198 2.476 1.00 0.00 C ATOM 1137 CG ASP A 74 11.114 4.429 2.021 1.00 0.00 C ATOM 1138 OD1 ASP A 74 10.792 4.973 0.941 1.00 0.00 O ATOM 1139 OD2 ASP A 74 12.071 4.818 2.726 1.00 0.00 O ATOM 0 H ASP A 74 8.421 1.519 2.817 1.00 0.00 H new ATOM 0 HA ASP A 74 9.003 4.268 3.806 1.00 0.00 H new ATOM 0 HB2 ASP A 74 10.894 2.682 3.251 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.233 2.508 1.637 1.00 0.00 H new ATOM 1144 N LEU A 75 7.375 5.269 2.273 1.00 0.00 N ATOM 1145 CA LEU A 75 6.454 5.998 1.392 1.00 0.00 C ATOM 1146 C LEU A 75 7.175 6.833 0.317 1.00 0.00 C ATOM 1147 O LEU A 75 6.549 7.207 -0.675 1.00 0.00 O ATOM 1148 CB LEU A 75 5.547 6.906 2.255 1.00 0.00 C ATOM 1149 CG LEU A 75 4.413 6.178 3.010 1.00 0.00 C ATOM 1150 CD1 LEU A 75 3.876 7.038 4.162 1.00 0.00 C ATOM 1151 CD2 LEU A 75 3.271 5.872 2.044 1.00 0.00 C ATOM 0 H LEU A 75 7.496 5.719 3.181 1.00 0.00 H new ATOM 0 HA LEU A 75 5.860 5.259 0.855 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.169 7.428 2.982 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.104 7.666 1.612 1.00 0.00 H new ATOM 0 HG LEU A 75 4.818 5.254 3.422 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.079 6.501 4.676 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.682 7.250 4.864 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.485 7.975 3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.471 5.358 2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.889 6.803 1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.637 5.236 1.238 1.00 0.00 H new ATOM 1163 N GLU A 76 8.471 7.111 0.486 1.00 0.00 N ATOM 1164 CA GLU A 76 9.265 7.921 -0.447 1.00 0.00 C ATOM 1165 C GLU A 76 9.549 7.171 -1.757 1.00 0.00 C ATOM 1166 O GLU A 76 9.315 7.683 -2.853 1.00 0.00 O ATOM 1167 CB GLU A 76 10.616 8.296 0.186 1.00 0.00 C ATOM 1168 CG GLU A 76 10.512 9.143 1.448 1.00 0.00 C ATOM 1169 CD GLU A 76 11.896 9.571 1.946 1.00 0.00 C ATOM 1170 OE1 GLU A 76 12.403 10.630 1.511 1.00 0.00 O ATOM 1171 OE2 GLU A 76 12.471 8.878 2.816 1.00 0.00 O ATOM 0 H GLU A 76 9.007 6.775 1.286 1.00 0.00 H new ATOM 0 HA GLU A 76 8.679 8.814 -0.664 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.158 7.380 0.422 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.210 8.837 -0.551 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.906 10.027 1.247 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.002 8.577 2.227 1.00 0.00 H new ATOM 1178 N ASN A 77 10.070 5.951 -1.624 1.00 0.00 N ATOM 1179 CA ASN A 77 10.524 5.076 -2.707 1.00 0.00 C ATOM 1180 C ASN A 77 9.505 3.957 -3.013 1.00 0.00 C ATOM 1181 O ASN A 77 9.652 3.231 -3.998 1.00 0.00 O ATOM 1182 CB ASN A 77 11.884 4.481 -2.299 1.00 0.00 C ATOM 1183 CG ASN A 77 12.954 5.536 -2.018 1.00 0.00 C ATOM 1184 OD1 ASN A 77 13.757 5.873 -2.881 1.00 0.00 O ATOM 1185 ND2 ASN A 77 13.015 6.071 -0.809 1.00 0.00 N ATOM 0 H ASN A 77 10.194 5.522 -0.707 1.00 0.00 H new ATOM 0 HA ASN A 77 10.622 5.659 -3.623 1.00 0.00 H new ATOM 0 HB2 ASN A 77 11.750 3.866 -1.409 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.235 3.822 -3.093 1.00 0.00 H new ATOM 0 HD21 ASN A 77 13.731 6.765 -0.594 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.346 5.789 -0.092 1.00 0.00 H new ATOM 1192 N MET A 78 8.492 3.806 -2.148 1.00 0.00 N ATOM 1193 CA MET A 78 7.470 2.742 -2.160 1.00 0.00 C ATOM 1194 C MET A 78 8.112 1.342 -2.097 1.00 0.00 C ATOM 1195 O MET A 78 7.991 0.533 -3.023 1.00 0.00 O ATOM 1196 CB MET A 78 6.480 2.907 -3.326 1.00 0.00 C ATOM 1197 CG MET A 78 5.744 4.256 -3.340 1.00 0.00 C ATOM 1198 SD MET A 78 3.951 4.152 -3.094 1.00 0.00 S ATOM 1199 CE MET A 78 3.920 3.879 -1.307 1.00 0.00 C ATOM 0 H MET A 78 8.353 4.458 -1.376 1.00 0.00 H new ATOM 0 HA MET A 78 6.874 2.844 -1.253 1.00 0.00 H new ATOM 0 HB2 MET A 78 7.020 2.790 -4.266 1.00 0.00 H new ATOM 0 HB3 MET A 78 5.744 2.104 -3.280 1.00 0.00 H new ATOM 0 HG2 MET A 78 6.166 4.891 -2.562 1.00 0.00 H new ATOM 0 HG3 MET A 78 5.937 4.748 -4.293 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.890 3.913 -0.951 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.350 2.903 -1.081 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.501 4.656 -0.810 1.00 0.00 H new ATOM 1209 N VAL A 79 8.774 1.053 -0.977 1.00 0.00 N ATOM 1210 CA VAL A 79 9.460 -0.225 -0.664 1.00 0.00 C ATOM 1211 C VAL A 79 9.307 -0.571 0.827 1.00 0.00 C ATOM 1212 O VAL A 79 8.781 0.232 1.591 1.00 0.00 O ATOM 1213 CB VAL A 79 10.968 -0.194 -1.034 1.00 0.00 C ATOM 1214 CG1 VAL A 79 11.214 -0.127 -2.547 1.00 0.00 C ATOM 1215 CG2 VAL A 79 11.709 0.946 -0.319 1.00 0.00 C ATOM 0 H VAL A 79 8.857 1.730 -0.218 1.00 0.00 H new ATOM 0 HA VAL A 79 8.981 -0.993 -1.272 1.00 0.00 H new ATOM 0 HB VAL A 79 11.375 -1.143 -0.684 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.286 -0.108 -2.741 1.00 0.00 H new ATOM 0 HG12 VAL A 79 10.774 -1.002 -3.026 1.00 0.00 H new ATOM 0 HG13 VAL A 79 10.756 0.776 -2.950 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.761 0.932 -0.605 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.268 1.901 -0.603 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.625 0.814 0.760 1.00 0.00 H new ATOM 1225 N GLN A 80 9.799 -1.733 1.264 1.00 0.00 N ATOM 1226 CA GLN A 80 9.850 -2.130 2.673 1.00 0.00 C ATOM 1227 C GLN A 80 11.045 -3.049 2.972 1.00 0.00 C ATOM 1228 O GLN A 80 11.485 -3.804 2.106 1.00 0.00 O ATOM 1229 CB GLN A 80 8.497 -2.725 3.108 1.00 0.00 C ATOM 1230 CG GLN A 80 8.093 -4.020 2.379 1.00 0.00 C ATOM 1231 CD GLN A 80 8.615 -5.323 2.984 1.00 0.00 C ATOM 1232 OE1 GLN A 80 9.130 -5.391 4.091 1.00 0.00 O ATOM 1233 NE2 GLN A 80 8.415 -6.429 2.299 1.00 0.00 N ATOM 0 H GLN A 80 10.181 -2.439 0.635 1.00 0.00 H new ATOM 0 HA GLN A 80 10.019 -1.240 3.279 1.00 0.00 H new ATOM 0 HB2 GLN A 80 8.532 -2.924 4.179 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.720 -1.978 2.948 1.00 0.00 H new ATOM 0 HG2 GLN A 80 7.005 -4.069 2.345 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.442 -3.956 1.348 1.00 0.00 H new ATOM 0 HE21 GLN A 80 7.986 -6.386 1.374 1.00 0.00 H new ATOM 0 HE22 GLN A 80 8.689 -7.329 2.693 1.00 0.00 H new ATOM 1242 N TYR A 81 11.588 -2.938 4.190 1.00 0.00 N ATOM 1243 CA TYR A 81 12.857 -3.543 4.640 1.00 0.00 C ATOM 1244 C TYR A 81 12.946 -3.685 6.174 1.00 0.00 C ATOM 1245 O TYR A 81 12.194 -3.032 6.899 1.00 0.00 O ATOM 1246 CB TYR A 81 14.025 -2.686 4.117 1.00 0.00 C ATOM 1247 CG TYR A 81 13.878 -1.179 4.279 1.00 0.00 C ATOM 1248 CD1 TYR A 81 14.070 -0.563 5.531 1.00 0.00 C ATOM 1249 CD2 TYR A 81 13.557 -0.384 3.160 1.00 0.00 C ATOM 1250 CE1 TYR A 81 13.962 0.834 5.660 1.00 0.00 C ATOM 1251 CE2 TYR A 81 13.456 1.013 3.277 1.00 0.00 C ATOM 1252 CZ TYR A 81 13.652 1.631 4.535 1.00 0.00 C ATOM 1253 OH TYR A 81 13.536 2.981 4.678 1.00 0.00 O ATOM 0 H TYR A 81 11.136 -2.398 4.928 1.00 0.00 H new ATOM 0 HA TYR A 81 12.908 -4.554 4.236 1.00 0.00 H new ATOM 0 HB2 TYR A 81 14.935 -2.998 4.629 1.00 0.00 H new ATOM 0 HB3 TYR A 81 14.163 -2.905 3.058 1.00 0.00 H new ATOM 0 HD1 TYR A 81 14.301 -1.166 6.397 1.00 0.00 H new ATOM 0 HD2 TYR A 81 13.387 -0.853 2.202 1.00 0.00 H new ATOM 0 HE1 TYR A 81 14.117 1.299 6.622 1.00 0.00 H new ATOM 0 HE2 TYR A 81 13.229 1.614 2.409 1.00 0.00 H new ATOM 0 HH TYR A 81 13.011 3.345 3.935 1.00 0.00 H new ATOM 1263 N ARG A 82 13.890 -4.478 6.702 1.00 0.00 N ATOM 1264 CA ARG A 82 14.191 -4.520 8.147 1.00 0.00 C ATOM 1265 C ARG A 82 14.905 -3.244 8.620 1.00 0.00 C ATOM 1266 O ARG A 82 15.731 -2.693 7.893 1.00 0.00 O ATOM 1267 CB ARG A 82 15.071 -5.734 8.496 1.00 0.00 C ATOM 1268 CG ARG A 82 14.318 -7.067 8.409 1.00 0.00 C ATOM 1269 CD ARG A 82 15.151 -8.244 8.936 1.00 0.00 C ATOM 1270 NE ARG A 82 15.403 -8.130 10.385 1.00 0.00 N ATOM 1271 CZ ARG A 82 16.575 -8.139 11.016 1.00 0.00 C ATOM 1272 NH1 ARG A 82 17.734 -8.217 10.394 1.00 0.00 N ATOM 1273 NH2 ARG A 82 16.594 -8.064 12.328 1.00 0.00 N ATOM 0 H ARG A 82 14.467 -5.108 6.144 1.00 0.00 H new ATOM 0 HA ARG A 82 13.232 -4.601 8.659 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.926 -5.762 7.821 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.465 -5.611 9.505 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.392 -6.996 8.980 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.040 -7.257 7.372 1.00 0.00 H new ATOM 0 HD2 ARG A 82 14.630 -9.179 8.730 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.101 -8.284 8.404 1.00 0.00 H new ATOM 0 HE ARG A 82 14.578 -8.032 10.976 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.764 -8.275 9.376 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.602 -8.220 10.930 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.719 -8.000 12.848 1.00 0.00 H new ATOM 0 HH22 ARG A 82 17.484 -8.070 12.826 1.00 0.00 H new ATOM 1287 N ARG A 83 14.670 -2.833 9.874 1.00 0.00 N ATOM 1288 CA ARG A 83 15.355 -1.694 10.526 1.00 0.00 C ATOM 1289 C ARG A 83 16.893 -1.754 10.419 1.00 0.00 C ATOM 1290 O ARG A 83 17.551 -0.718 10.317 1.00 0.00 O ATOM 1291 CB ARG A 83 14.986 -1.638 12.020 1.00 0.00 C ATOM 1292 CG ARG A 83 13.548 -1.168 12.293 1.00 0.00 C ATOM 1293 CD ARG A 83 13.192 -1.247 13.789 1.00 0.00 C ATOM 1294 NE ARG A 83 14.125 -0.474 14.636 1.00 0.00 N ATOM 1295 CZ ARG A 83 13.963 0.756 15.114 1.00 0.00 C ATOM 1296 NH1 ARG A 83 12.857 1.449 14.953 1.00 0.00 N ATOM 1297 NH2 ARG A 83 14.945 1.318 15.785 1.00 0.00 N ATOM 0 H ARG A 83 13.987 -3.287 10.480 1.00 0.00 H new ATOM 0 HA ARG A 83 15.016 -0.804 9.995 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.122 -2.628 12.454 1.00 0.00 H new ATOM 0 HB3 ARG A 83 15.679 -0.968 12.530 1.00 0.00 H new ATOM 0 HG2 ARG A 83 13.429 -0.142 11.945 1.00 0.00 H new ATOM 0 HG3 ARG A 83 12.851 -1.781 11.721 1.00 0.00 H new ATOM 0 HD2 ARG A 83 12.178 -0.875 13.938 1.00 0.00 H new ATOM 0 HD3 ARG A 83 13.198 -2.290 14.106 1.00 0.00 H new ATOM 0 HE ARG A 83 14.998 -0.940 14.883 1.00 0.00 H new ATOM 0 HH11 ARG A 83 12.072 1.046 14.441 1.00 0.00 H new ATOM 0 HH12 ARG A 83 12.784 2.390 15.340 1.00 0.00 H new ATOM 0 HH21 ARG A 83 15.817 0.811 15.933 1.00 0.00 H new ATOM 0 HH22 ARG A 83 14.834 2.261 16.157 1.00 0.00 H new ATOM 1311 N ASN A 84 17.463 -2.963 10.439 1.00 0.00 N ATOM 1312 CA ASN A 84 18.911 -3.199 10.496 1.00 0.00 C ATOM 1313 C ASN A 84 19.605 -3.266 9.116 1.00 0.00 C ATOM 1314 O ASN A 84 20.836 -3.245 9.067 1.00 0.00 O ATOM 1315 CB ASN A 84 19.165 -4.497 11.283 1.00 0.00 C ATOM 1316 CG ASN A 84 18.603 -4.446 12.702 1.00 0.00 C ATOM 1317 OD1 ASN A 84 17.444 -4.764 12.939 1.00 0.00 O ATOM 1318 ND2 ASN A 84 19.394 -4.037 13.678 1.00 0.00 N ATOM 0 H ASN A 84 16.919 -3.825 10.415 1.00 0.00 H new ATOM 0 HA ASN A 84 19.353 -2.337 10.995 1.00 0.00 H new ATOM 0 HB2 ASN A 84 18.716 -5.334 10.749 1.00 0.00 H new ATOM 0 HB3 ASN A 84 20.238 -4.686 11.328 1.00 0.00 H new ATOM 0 HD21 ASN A 84 19.040 -3.985 14.633 1.00 0.00 H new ATOM 0 HD22 ASN A 84 20.358 -3.773 13.476 1.00 0.00 H new ATOM 1325 N GLU A 85 18.857 -3.356 8.007 1.00 0.00 N ATOM 1326 CA GLU A 85 19.413 -3.553 6.660 1.00 0.00 C ATOM 1327 C GLU A 85 18.427 -3.121 5.558 1.00 0.00 C ATOM 1328 O GLU A 85 17.395 -3.743 5.316 1.00 0.00 O ATOM 1329 CB GLU A 85 19.926 -5.000 6.479 1.00 0.00 C ATOM 1330 CG GLU A 85 18.823 -6.068 6.513 1.00 0.00 C ATOM 1331 CD GLU A 85 19.339 -7.462 6.900 1.00 0.00 C ATOM 1332 OE1 GLU A 85 20.364 -7.922 6.343 1.00 0.00 O ATOM 1333 OE2 GLU A 85 18.702 -8.102 7.769 1.00 0.00 O ATOM 0 H GLU A 85 17.839 -3.294 8.020 1.00 0.00 H new ATOM 0 HA GLU A 85 20.277 -2.896 6.555 1.00 0.00 H new ATOM 0 HB2 GLU A 85 20.455 -5.070 5.528 1.00 0.00 H new ATOM 0 HB3 GLU A 85 20.651 -5.217 7.263 1.00 0.00 H new ATOM 0 HG2 GLU A 85 18.053 -5.763 7.222 1.00 0.00 H new ATOM 0 HG3 GLU A 85 18.349 -6.123 5.533 1.00 0.00 H new ATOM 1340 N HIS A 86 18.770 -2.043 4.854 1.00 0.00 N ATOM 1341 CA HIS A 86 17.989 -1.484 3.740 1.00 0.00 C ATOM 1342 C HIS A 86 18.279 -2.161 2.384 1.00 0.00 C ATOM 1343 O HIS A 86 17.476 -2.078 1.455 1.00 0.00 O ATOM 1344 CB HIS A 86 18.272 0.023 3.675 1.00 0.00 C ATOM 1345 CG HIS A 86 19.709 0.357 3.370 1.00 0.00 C ATOM 1346 ND1 HIS A 86 20.740 0.432 4.312 1.00 0.00 N ATOM 1347 CD2 HIS A 86 20.227 0.565 2.128 1.00 0.00 C ATOM 1348 CE1 HIS A 86 21.853 0.698 3.606 1.00 0.00 C ATOM 1349 NE2 HIS A 86 21.577 0.783 2.293 1.00 0.00 N ATOM 0 H HIS A 86 19.622 -1.516 5.045 1.00 0.00 H new ATOM 0 HA HIS A 86 16.933 -1.675 3.931 1.00 0.00 H new ATOM 0 HB2 HIS A 86 17.635 0.471 2.913 1.00 0.00 H new ATOM 0 HB3 HIS A 86 17.997 0.477 4.627 1.00 0.00 H new ATOM 0 HD2 HIS A 86 19.684 0.560 1.194 1.00 0.00 H new ATOM 0 HE1 HIS A 86 22.836 0.826 4.036 1.00 0.00 H new ATOM 0 HE2 HIS A 86 22.249 0.975 1.550 1.00 0.00 H new ATOM 1357 N GLY A 87 19.408 -2.872 2.276 1.00 0.00 N ATOM 1358 CA GLY A 87 19.867 -3.558 1.054 1.00 0.00 C ATOM 1359 C GLY A 87 19.048 -4.799 0.676 1.00 0.00 C ATOM 1360 O GLY A 87 19.160 -5.278 -0.452 1.00 0.00 O ATOM 0 H GLY A 87 20.050 -2.992 3.059 1.00 0.00 H new ATOM 0 HA2 GLY A 87 19.838 -2.852 0.224 1.00 0.00 H new ATOM 0 HA3 GLY A 87 20.908 -3.852 1.187 1.00 0.00 H new ATOM 1364 N ARG A 88 18.197 -5.290 1.588 1.00 0.00 N ATOM 1365 CA ARG A 88 17.252 -6.399 1.371 1.00 0.00 C ATOM 1366 C ARG A 88 15.836 -5.932 0.965 1.00 0.00 C ATOM 1367 O ARG A 88 14.906 -6.740 0.956 1.00 0.00 O ATOM 1368 CB ARG A 88 17.201 -7.277 2.638 1.00 0.00 C ATOM 1369 CG ARG A 88 18.525 -7.972 2.997 1.00 0.00 C ATOM 1370 CD ARG A 88 19.069 -8.840 1.849 1.00 0.00 C ATOM 1371 NE ARG A 88 19.849 -9.987 2.351 1.00 0.00 N ATOM 1372 CZ ARG A 88 19.339 -11.162 2.713 1.00 0.00 C ATOM 1373 NH1 ARG A 88 18.059 -11.433 2.658 1.00 0.00 N ATOM 1374 NH2 ARG A 88 20.090 -12.136 3.160 1.00 0.00 N ATOM 0 H ARG A 88 18.145 -4.912 2.534 1.00 0.00 H new ATOM 0 HA ARG A 88 17.621 -6.980 0.526 1.00 0.00 H new ATOM 0 HB2 ARG A 88 16.893 -6.657 3.480 1.00 0.00 H new ATOM 0 HB3 ARG A 88 16.432 -8.038 2.504 1.00 0.00 H new ATOM 0 HG2 ARG A 88 19.267 -7.218 3.260 1.00 0.00 H new ATOM 0 HG3 ARG A 88 18.376 -8.595 3.879 1.00 0.00 H new ATOM 0 HD2 ARG A 88 18.239 -9.203 1.243 1.00 0.00 H new ATOM 0 HD3 ARG A 88 19.696 -8.231 1.199 1.00 0.00 H new ATOM 0 HE ARG A 88 20.859 -9.870 2.427 1.00 0.00 H new ATOM 0 HH11 ARG A 88 17.402 -10.727 2.326 1.00 0.00 H new ATOM 0 HH12 ARG A 88 17.719 -12.350 2.947 1.00 0.00 H new ATOM 0 HH21 ARG A 88 21.099 -12.007 3.240 1.00 0.00 H new ATOM 0 HH22 ARG A 88 19.667 -13.024 3.429 1.00 0.00 H new ATOM 1388 N ARG A 89 15.649 -4.639 0.661 1.00 0.00 N ATOM 1389 CA ARG A 89 14.335 -4.031 0.399 1.00 0.00 C ATOM 1390 C ARG A 89 13.541 -4.707 -0.732 1.00 0.00 C ATOM 1391 O ARG A 89 14.106 -5.109 -1.752 1.00 0.00 O ATOM 1392 CB ARG A 89 14.463 -2.510 0.186 1.00 0.00 C ATOM 1393 CG ARG A 89 15.273 -2.092 -1.051 1.00 0.00 C ATOM 1394 CD ARG A 89 15.528 -0.582 -1.065 1.00 0.00 C ATOM 1395 NE ARG A 89 16.339 -0.187 -2.230 1.00 0.00 N ATOM 1396 CZ ARG A 89 16.748 1.042 -2.522 1.00 0.00 C ATOM 1397 NH1 ARG A 89 16.458 2.078 -1.760 1.00 0.00 N ATOM 1398 NH2 ARG A 89 17.466 1.250 -3.605 1.00 0.00 N ATOM 0 H ARG A 89 16.420 -3.975 0.589 1.00 0.00 H new ATOM 0 HA ARG A 89 13.741 -4.204 1.297 1.00 0.00 H new ATOM 0 HB2 ARG A 89 13.463 -2.084 0.107 1.00 0.00 H new ATOM 0 HB3 ARG A 89 14.927 -2.073 1.070 1.00 0.00 H new ATOM 0 HG2 ARG A 89 16.224 -2.624 -1.062 1.00 0.00 H new ATOM 0 HG3 ARG A 89 14.736 -2.381 -1.955 1.00 0.00 H new ATOM 0 HD2 ARG A 89 14.577 -0.050 -1.084 1.00 0.00 H new ATOM 0 HD3 ARG A 89 16.038 -0.289 -0.148 1.00 0.00 H new ATOM 0 HE ARG A 89 16.613 -0.929 -2.874 1.00 0.00 H new ATOM 0 HH11 ARG A 89 15.902 1.949 -0.914 1.00 0.00 H new ATOM 0 HH12 ARG A 89 16.790 3.008 -2.016 1.00 0.00 H new ATOM 0 HH21 ARG A 89 17.706 0.469 -4.216 1.00 0.00 H new ATOM 0 HH22 ARG A 89 17.783 2.192 -3.834 1.00 0.00 H new ATOM 1412 N ARG A 90 12.220 -4.787 -0.543 1.00 0.00 N ATOM 1413 CA ARG A 90 11.234 -5.341 -1.484 1.00 0.00 C ATOM 1414 C ARG A 90 10.169 -4.288 -1.806 1.00 0.00 C ATOM 1415 O ARG A 90 9.810 -3.478 -0.953 1.00 0.00 O ATOM 1416 CB ARG A 90 10.577 -6.603 -0.894 1.00 0.00 C ATOM 1417 CG ARG A 90 11.577 -7.736 -0.609 1.00 0.00 C ATOM 1418 CD ARG A 90 10.849 -9.029 -0.205 1.00 0.00 C ATOM 1419 NE ARG A 90 11.785 -10.113 0.138 1.00 0.00 N ATOM 1420 CZ ARG A 90 12.505 -10.862 -0.683 1.00 0.00 C ATOM 1421 NH1 ARG A 90 12.482 -10.723 -1.995 1.00 0.00 N ATOM 1422 NH2 ARG A 90 13.271 -11.783 -0.153 1.00 0.00 N ATOM 0 H ARG A 90 11.784 -4.450 0.315 1.00 0.00 H new ATOM 0 HA ARG A 90 11.746 -5.618 -2.405 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.066 -6.338 0.032 1.00 0.00 H new ATOM 0 HB3 ARG A 90 9.817 -6.965 -1.586 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.186 -7.919 -1.495 1.00 0.00 H new ATOM 0 HG3 ARG A 90 12.257 -7.434 0.188 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.201 -8.827 0.648 1.00 0.00 H new ATOM 0 HD3 ARG A 90 10.206 -9.352 -1.024 1.00 0.00 H new ATOM 0 HE ARG A 90 11.892 -10.312 1.133 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.889 -10.011 -2.422 1.00 0.00 H new ATOM 0 HH12 ARG A 90 13.057 -11.327 -2.582 1.00 0.00 H new ATOM 0 HH21 ARG A 90 13.298 -11.903 0.860 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.841 -12.380 -0.753 1.00 0.00 H new ATOM 1436 N LYS A 91 9.663 -4.285 -3.036 1.00 0.00 N ATOM 1437 CA LYS A 91 8.665 -3.322 -3.530 1.00 0.00 C ATOM 1438 C LYS A 91 7.297 -3.418 -2.827 1.00 0.00 C ATOM 1439 O LYS A 91 6.827 -4.514 -2.514 1.00 0.00 O ATOM 1440 CB LYS A 91 8.494 -3.554 -5.047 1.00 0.00 C ATOM 1441 CG LYS A 91 9.340 -2.646 -5.956 1.00 0.00 C ATOM 1442 CD LYS A 91 8.982 -1.152 -5.887 1.00 0.00 C ATOM 1443 CE LYS A 91 7.495 -0.869 -6.154 1.00 0.00 C ATOM 1444 NZ LYS A 91 7.150 0.536 -5.836 1.00 0.00 N ATOM 0 H LYS A 91 9.939 -4.968 -3.741 1.00 0.00 H new ATOM 0 HA LYS A 91 9.035 -2.321 -3.310 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.742 -4.592 -5.268 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.443 -3.416 -5.302 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.390 -2.766 -5.690 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.231 -2.984 -6.986 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.246 -0.767 -4.902 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.584 -0.607 -6.614 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.265 -1.075 -7.199 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.881 -1.541 -5.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.137 0.693 -6.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.363 0.728 -4.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.707 1.175 -6.438 1.00 0.00 H new ATOM 1458 N ILE A 92 6.619 -2.275 -2.665 1.00 0.00 N ATOM 1459 CA ILE A 92 5.204 -2.176 -2.245 1.00 0.00 C ATOM 1460 C ILE A 92 4.419 -1.274 -3.207 1.00 0.00 C ATOM 1461 O ILE A 92 5.006 -0.511 -3.977 1.00 0.00 O ATOM 1462 CB ILE A 92 5.043 -1.731 -0.767 1.00 0.00 C ATOM 1463 CG1 ILE A 92 5.401 -0.248 -0.580 1.00 0.00 C ATOM 1464 CG2 ILE A 92 5.855 -2.628 0.176 1.00 0.00 C ATOM 1465 CD1 ILE A 92 5.314 0.285 0.850 1.00 0.00 C ATOM 0 H ILE A 92 7.047 -1.363 -2.826 1.00 0.00 H new ATOM 0 HA ILE A 92 4.780 -3.179 -2.297 1.00 0.00 H new ATOM 0 HB ILE A 92 3.991 -1.844 -0.505 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.416 -0.091 -0.945 1.00 0.00 H new ATOM 0 HG13 ILE A 92 4.740 0.347 -1.210 1.00 0.00 H new ATOM 0 HG21 ILE A 92 5.721 -2.291 1.204 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.511 -3.658 0.085 1.00 0.00 H new ATOM 0 HG23 ILE A 92 6.911 -2.574 -0.089 1.00 0.00 H new ATOM 0 HD11 ILE A 92 5.588 1.340 0.862 1.00 0.00 H new ATOM 0 HD12 ILE A 92 4.295 0.170 1.220 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.997 -0.275 1.489 1.00 0.00 H new ATOM 1477 N LYS A 93 3.090 -1.356 -3.154 1.00 0.00 N ATOM 1478 CA LYS A 93 2.160 -0.551 -3.953 1.00 0.00 C ATOM 1479 C LYS A 93 0.779 -0.419 -3.284 1.00 0.00 C ATOM 1480 O LYS A 93 0.474 -1.122 -2.315 1.00 0.00 O ATOM 1481 CB LYS A 93 2.038 -1.137 -5.383 1.00 0.00 C ATOM 1482 CG LYS A 93 1.256 -2.462 -5.435 1.00 0.00 C ATOM 1483 CD LYS A 93 0.960 -2.922 -6.866 1.00 0.00 C ATOM 1484 CE LYS A 93 0.197 -4.255 -6.827 1.00 0.00 C ATOM 1485 NZ LYS A 93 -0.459 -4.560 -8.122 1.00 0.00 N ATOM 0 H LYS A 93 2.612 -2.008 -2.532 1.00 0.00 H new ATOM 0 HA LYS A 93 2.569 0.457 -4.021 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.546 -0.407 -6.026 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.037 -1.297 -5.789 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.826 -3.235 -4.920 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.317 -2.346 -4.894 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.370 -2.168 -7.387 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.890 -3.039 -7.422 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.887 -5.060 -6.572 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.556 -4.219 -6.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.588 -5.588 -8.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.386 -4.090 -8.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.137 -4.216 -8.902 1.00 0.00 H new ATOM 1499 N ARG A 94 -0.068 0.439 -3.859 1.00 0.00 N ATOM 1500 CA ARG A 94 -1.502 0.530 -3.567 1.00 0.00 C ATOM 1501 C ARG A 94 -2.294 0.149 -4.824 1.00 0.00 C ATOM 1502 O ARG A 94 -1.900 0.484 -5.943 1.00 0.00 O ATOM 1503 CB ARG A 94 -1.884 1.937 -3.085 1.00 0.00 C ATOM 1504 CG ARG A 94 -1.292 2.257 -1.703 1.00 0.00 C ATOM 1505 CD ARG A 94 -1.832 3.581 -1.149 1.00 0.00 C ATOM 1506 NE ARG A 94 -1.409 4.734 -1.964 1.00 0.00 N ATOM 1507 CZ ARG A 94 -2.128 5.818 -2.242 1.00 0.00 C ATOM 1508 NH1 ARG A 94 -3.349 5.991 -1.788 1.00 0.00 N ATOM 1509 NH2 ARG A 94 -1.625 6.763 -3.000 1.00 0.00 N ATOM 0 H ARG A 94 0.235 1.111 -4.564 1.00 0.00 H new ATOM 0 HA ARG A 94 -1.745 -0.163 -2.761 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.535 2.674 -3.808 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.970 2.022 -3.042 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.527 1.449 -1.010 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -0.206 2.308 -1.775 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -2.921 3.542 -1.114 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -1.484 3.714 -0.125 1.00 0.00 H new ATOM 0 HE ARG A 94 -0.468 4.697 -2.355 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -3.780 5.279 -1.198 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -3.866 6.838 -2.025 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -0.682 6.667 -3.377 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -2.177 7.594 -3.213 1.00 0.00 H new ATOM 1523 N ASP A 95 -3.406 -0.551 -4.637 1.00 0.00 N ATOM 1524 CA ASP A 95 -4.314 -1.032 -5.684 1.00 0.00 C ATOM 1525 C ASP A 95 -5.783 -0.849 -5.267 1.00 0.00 C ATOM 1526 O ASP A 95 -6.073 -0.347 -4.179 1.00 0.00 O ATOM 1527 CB ASP A 95 -4.019 -2.509 -6.004 1.00 0.00 C ATOM 1528 CG ASP A 95 -4.004 -2.769 -7.515 1.00 0.00 C ATOM 1529 OD1 ASP A 95 -5.052 -2.534 -8.162 1.00 0.00 O ATOM 1530 OD2 ASP A 95 -2.948 -3.196 -8.042 1.00 0.00 O ATOM 0 H ASP A 95 -3.720 -0.815 -3.703 1.00 0.00 H new ATOM 0 HA ASP A 95 -4.147 -0.439 -6.583 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -3.056 -2.789 -5.577 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -4.772 -3.141 -5.533 1.00 0.00 H new ATOM 1535 N ILE A 96 -6.714 -1.265 -6.128 1.00 0.00 N ATOM 1536 CA ILE A 96 -8.159 -1.043 -5.975 1.00 0.00 C ATOM 1537 C ILE A 96 -8.929 -2.356 -6.115 1.00 0.00 C ATOM 1538 O ILE A 96 -8.674 -3.165 -7.010 1.00 0.00 O ATOM 1539 CB ILE A 96 -8.661 -0.009 -7.007 1.00 0.00 C ATOM 1540 CG1 ILE A 96 -7.879 1.321 -6.964 1.00 0.00 C ATOM 1541 CG2 ILE A 96 -10.170 0.266 -6.816 1.00 0.00 C ATOM 1542 CD1 ILE A 96 -8.088 2.113 -5.673 1.00 0.00 C ATOM 0 H ILE A 96 -6.480 -1.781 -6.976 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.338 -0.649 -4.975 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.488 -0.452 -7.988 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -6.816 1.112 -7.084 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -8.180 1.937 -7.811 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -10.503 0.997 -7.553 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -10.728 -0.661 -6.947 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -10.345 0.656 -5.813 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -7.508 3.035 -5.714 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -9.145 2.354 -5.561 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.760 1.516 -4.822 1.00 0.00 H new ATOM 1554 N ILE A 97 -9.911 -2.538 -5.236 1.00 0.00 N ATOM 1555 CA ILE A 97 -10.895 -3.627 -5.306 1.00 0.00 C ATOM 1556 C ILE A 97 -12.125 -3.187 -6.107 1.00 0.00 C ATOM 1557 O ILE A 97 -12.619 -2.075 -5.927 1.00 0.00 O ATOM 1558 CB ILE A 97 -11.329 -4.085 -3.904 1.00 0.00 C ATOM 1559 CG1 ILE A 97 -10.144 -4.497 -3.015 1.00 0.00 C ATOM 1560 CG2 ILE A 97 -12.327 -5.244 -4.011 1.00 0.00 C ATOM 1561 CD1 ILE A 97 -9.580 -3.313 -2.219 1.00 0.00 C ATOM 0 H ILE A 97 -10.052 -1.922 -4.436 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.417 -4.468 -5.809 1.00 0.00 H new ATOM 0 HB ILE A 97 -11.804 -3.227 -3.427 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.464 -5.278 -2.325 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.356 -4.923 -3.636 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -12.627 -5.559 -3.012 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -13.206 -4.917 -4.567 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -11.859 -6.080 -4.530 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -8.745 -3.652 -1.606 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -9.235 -2.543 -2.908 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -10.359 -2.902 -1.577 1.00 0.00 H new ATOM 1573 N ASP A 98 -12.656 -4.090 -6.931 1.00 0.00 N ATOM 1574 CA ASP A 98 -13.829 -3.838 -7.785 1.00 0.00 C ATOM 1575 C ASP A 98 -15.158 -4.430 -7.259 1.00 0.00 C ATOM 1576 O ASP A 98 -16.222 -3.915 -7.600 1.00 0.00 O ATOM 1577 CB ASP A 98 -13.507 -4.347 -9.198 1.00 0.00 C ATOM 1578 CG ASP A 98 -14.560 -3.933 -10.240 1.00 0.00 C ATOM 1579 OD1 ASP A 98 -14.698 -2.715 -10.505 1.00 0.00 O ATOM 1580 OD2 ASP A 98 -15.209 -4.833 -10.828 1.00 0.00 O ATOM 0 H ASP A 98 -12.281 -5.034 -7.029 1.00 0.00 H new ATOM 0 HA ASP A 98 -14.008 -2.763 -7.785 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -12.533 -3.965 -9.503 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.431 -5.434 -9.178 1.00 0.00 H new ATOM 1585 N ILE A 99 -15.083 -5.462 -6.402 1.00 0.00 N ATOM 1586 CA ILE A 99 -16.185 -6.176 -5.705 1.00 0.00 C ATOM 1587 C ILE A 99 -16.987 -7.096 -6.667 1.00 0.00 C ATOM 1588 O ILE A 99 -17.458 -6.632 -7.712 1.00 0.00 O ATOM 1589 CB ILE A 99 -17.115 -5.213 -4.914 1.00 0.00 C ATOM 1590 CG1 ILE A 99 -16.358 -4.253 -3.964 1.00 0.00 C ATOM 1591 CG2 ILE A 99 -18.199 -5.973 -4.124 1.00 0.00 C ATOM 1592 CD1 ILE A 99 -15.671 -4.923 -2.765 1.00 0.00 C ATOM 0 H ILE A 99 -14.176 -5.858 -6.153 1.00 0.00 H new ATOM 0 HA ILE A 99 -15.710 -6.823 -4.967 1.00 0.00 H new ATOM 0 HB ILE A 99 -17.592 -4.602 -5.680 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -15.604 -3.717 -4.541 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -17.061 -3.509 -3.590 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -18.825 -5.260 -3.587 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -18.815 -6.549 -4.814 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -17.724 -6.648 -3.412 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -15.170 -4.165 -2.163 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -16.417 -5.434 -2.157 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -14.938 -5.646 -3.123 1.00 0.00 H new