USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 772 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 31 TYR OH : rot -128:sc= 0.136 USER MOD Set 1.2: A 82 TYR OH : rot -130:sc= 0.133 USER MOD Set 2.1: A 49 ASN : amide:sc= 0.795 K(o=2.7,f=-9.6!) USER MOD Set 2.2: A 50 LYS NZ :NH3+ -149:sc= 1.93 (180deg=1.21) USER MOD Set 3.1: A 24 LYS NZ :NH3+ 148:sc= 0.745 (180deg=-0.156) USER MOD Set 3.2: A 26 THR OG1 : rot -92:sc= 0.679 USER MOD Set 4.1: A 14 LYS NZ :NH3+ 163:sc= -0.0181 (180deg=-0.233) USER MOD Set 4.2: A 15 THR OG1 : rot 180:sc=0.000282 USER MOD Single : A 18 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0571) USER MOD Single : A 19 SER OG : rot 71:sc= 1.15 USER MOD Single : A 23 THR OG1 : rot 93:sc= 1.24 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0.312 X(o=0.31,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 80:sc= 1.23 USER MOD Single : A 41 THR OG1 : rot 78:sc= 1.27 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -99:sc= 0.411 USER MOD Single : A 65 LYS NZ :NH3+ 164:sc= -0.0228 (180deg=-0.229) USER MOD Single : A 66 LYS NZ :NH3+ 175:sc= 1.2 (180deg=1.18) USER MOD Single : A 69 LYS NZ :NH3+ -162:sc= -0.0586 (180deg=-0.373) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -177:sc= -1.9 (180deg=-1.95) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.17 K(o=-0.17,f=-0.76) USER MOD Single : A 84 THR OG1 : rot 68:sc= 1.25 USER MOD Single : A 87 MET CE :methyl -149:sc= -2.41 (180deg=-4.73!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN :FLIP amide:sc=-0.00651 F(o=-1,f=-0.0065) USER MOD Single : A 93 GLN : amide:sc= -0.204 K(o=-0.2,f=-2) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 MET CE :methyl 158:sc= -5.9! (180deg=-7.97!) USER MOD Single : A 99 ASN :FLIP amide:sc= -0.475 F(o=-1.1,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 172 N ARG A 11 -13.877 5.304 -1.649 1.00 0.00 N ATOM 173 CA ARG A 11 -12.604 5.675 -1.039 1.00 0.00 C ATOM 174 C ARG A 11 -12.011 4.511 -0.248 1.00 0.00 C ATOM 175 O ARG A 11 -11.077 4.690 0.532 1.00 0.00 O ATOM 176 CB ARG A 11 -12.788 6.903 -0.138 1.00 0.00 C ATOM 177 CG ARG A 11 -13.382 8.094 -0.875 1.00 0.00 C ATOM 178 CD ARG A 11 -13.506 9.318 0.020 1.00 0.00 C ATOM 179 NE ARG A 11 -14.240 10.395 -0.644 1.00 0.00 N ATOM 180 CZ ARG A 11 -14.321 11.644 -0.188 1.00 0.00 C ATOM 181 NH1 ARG A 11 -13.716 11.990 0.944 1.00 0.00 N ATOM 182 NH2 ARG A 11 -15.017 12.544 -0.871 1.00 0.00 N ATOM 0 HA ARG A 11 -11.904 5.925 -1.836 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -13.435 6.640 0.698 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.823 7.187 0.283 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.757 8.336 -1.735 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.366 7.827 -1.261 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -14.016 9.044 0.944 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.512 9.670 0.297 1.00 0.00 H new ATOM 0 HE ARG A 11 -14.723 10.175 -1.515 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.185 11.297 1.471 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.783 12.949 1.286 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.484 12.277 -1.737 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.085 13.503 -0.530 1.00 0.00 H new ATOM 196 N ALA A 12 -12.552 3.320 -0.473 1.00 0.00 N ATOM 197 CA ALA A 12 -12.031 2.111 0.144 1.00 0.00 C ATOM 198 C ALA A 12 -10.647 1.804 -0.412 1.00 0.00 C ATOM 199 O ALA A 12 -10.420 1.914 -1.620 1.00 0.00 O ATOM 200 CB ALA A 12 -12.974 0.940 -0.091 1.00 0.00 C ATOM 0 H ALA A 12 -13.356 3.167 -1.082 1.00 0.00 H new ATOM 0 HA ALA A 12 -11.952 2.270 1.219 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.566 0.045 0.378 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -13.949 1.165 0.342 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.083 0.770 -1.162 1.00 0.00 H new ATOM 206 N PHE A 13 -9.736 1.409 0.471 1.00 0.00 N ATOM 207 CA PHE A 13 -8.332 1.210 0.115 1.00 0.00 C ATOM 208 C PHE A 13 -8.177 0.286 -1.093 1.00 0.00 C ATOM 209 O PHE A 13 -7.380 0.561 -1.989 1.00 0.00 O ATOM 210 CB PHE A 13 -7.562 0.644 1.313 1.00 0.00 C ATOM 211 CG PHE A 13 -6.066 0.611 1.122 1.00 0.00 C ATOM 212 CD1 PHE A 13 -5.453 -0.466 0.500 1.00 0.00 C ATOM 213 CD2 PHE A 13 -5.275 1.661 1.566 1.00 0.00 C ATOM 214 CE1 PHE A 13 -4.084 -0.493 0.323 1.00 0.00 C ATOM 215 CE2 PHE A 13 -3.906 1.637 1.391 1.00 0.00 C ATOM 216 CZ PHE A 13 -3.310 0.558 0.768 1.00 0.00 C ATOM 0 H PHE A 13 -9.947 1.218 1.450 1.00 0.00 H new ATOM 0 HA PHE A 13 -7.919 2.181 -0.158 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.792 1.242 2.195 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.915 -0.368 1.513 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.053 -1.293 0.150 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.736 2.507 2.054 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.619 -1.337 -0.164 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.302 2.461 1.741 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.239 0.537 0.630 1.00 0.00 H new ATOM 226 N LYS A 14 -8.956 -0.792 -1.127 1.00 0.00 N ATOM 227 CA LYS A 14 -8.846 -1.786 -2.191 1.00 0.00 C ATOM 228 C LYS A 14 -9.128 -1.165 -3.563 1.00 0.00 C ATOM 229 O LYS A 14 -8.423 -1.438 -4.535 1.00 0.00 O ATOM 230 CB LYS A 14 -9.800 -2.963 -1.929 1.00 0.00 C ATOM 231 CG LYS A 14 -11.275 -2.584 -1.947 1.00 0.00 C ATOM 232 CD LYS A 14 -12.166 -3.761 -1.587 1.00 0.00 C ATOM 233 CE LYS A 14 -13.634 -3.424 -1.794 1.00 0.00 C ATOM 234 NZ LYS A 14 -13.965 -3.246 -3.235 1.00 0.00 N ATOM 0 H LYS A 14 -9.671 -1.000 -0.430 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.822 -2.159 -2.195 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.625 -3.733 -2.680 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.561 -3.402 -0.961 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.449 -1.769 -1.245 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.543 -2.215 -2.937 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.899 -4.623 -2.198 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.998 -4.043 -0.548 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.251 -4.219 -1.375 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.877 -2.511 -1.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.995 -3.305 -3.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.628 -2.316 -3.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -13.503 -3.993 -3.792 1.00 0.00 H new ATOM 248 N THR A 15 -10.138 -0.308 -3.625 1.00 0.00 N ATOM 249 CA THR A 15 -10.548 0.305 -4.878 1.00 0.00 C ATOM 250 C THR A 15 -9.589 1.423 -5.269 1.00 0.00 C ATOM 251 O THR A 15 -9.244 1.588 -6.443 1.00 0.00 O ATOM 252 CB THR A 15 -11.982 0.858 -4.763 1.00 0.00 C ATOM 253 OG1 THR A 15 -12.844 -0.166 -4.250 1.00 0.00 O ATOM 254 CG2 THR A 15 -12.499 1.330 -6.116 1.00 0.00 C ATOM 0 H THR A 15 -10.690 -0.021 -2.817 1.00 0.00 H new ATOM 0 HA THR A 15 -10.526 -0.460 -5.654 1.00 0.00 H new ATOM 0 HB THR A 15 -11.970 1.712 -4.086 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.757 0.183 -4.174 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.513 1.715 -6.004 1.00 0.00 H new ATOM 0 HG22 THR A 15 -11.851 2.119 -6.498 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.504 0.494 -6.816 1.00 0.00 H new ATOM 262 N VAL A 16 -9.144 2.173 -4.275 1.00 0.00 N ATOM 263 CA VAL A 16 -8.229 3.277 -4.506 1.00 0.00 C ATOM 264 C VAL A 16 -6.857 2.768 -4.928 1.00 0.00 C ATOM 265 O VAL A 16 -6.235 3.323 -5.833 1.00 0.00 O ATOM 266 CB VAL A 16 -8.110 4.167 -3.255 1.00 0.00 C ATOM 267 CG1 VAL A 16 -7.082 5.270 -3.463 1.00 0.00 C ATOM 268 CG2 VAL A 16 -9.470 4.756 -2.923 1.00 0.00 C ATOM 0 H VAL A 16 -9.403 2.037 -3.298 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.636 3.880 -5.317 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.770 3.555 -2.419 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.019 5.883 -2.564 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.108 4.826 -3.668 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.382 5.892 -4.306 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.387 5.386 -2.038 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.822 5.355 -3.763 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.178 3.950 -2.730 1.00 0.00 H new ATOM 278 N ALA A 17 -6.399 1.694 -4.294 1.00 0.00 N ATOM 279 CA ALA A 17 -5.128 1.084 -4.658 1.00 0.00 C ATOM 280 C ALA A 17 -5.181 0.550 -6.084 1.00 0.00 C ATOM 281 O ALA A 17 -4.208 0.646 -6.828 1.00 0.00 O ATOM 282 CB ALA A 17 -4.766 -0.026 -3.686 1.00 0.00 C ATOM 0 H ALA A 17 -6.888 1.230 -3.528 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.354 1.850 -4.605 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.813 -0.468 -3.977 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.684 0.384 -2.680 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.541 -0.792 -3.703 1.00 0.00 H new ATOM 288 N LYS A 18 -6.329 0.001 -6.465 1.00 0.00 N ATOM 289 CA LYS A 18 -6.517 -0.494 -7.822 1.00 0.00 C ATOM 290 C LYS A 18 -6.506 0.670 -8.810 1.00 0.00 C ATOM 291 O LYS A 18 -5.878 0.596 -9.866 1.00 0.00 O ATOM 292 CB LYS A 18 -7.833 -1.264 -7.936 1.00 0.00 C ATOM 293 CG LYS A 18 -7.921 -2.130 -9.179 1.00 0.00 C ATOM 294 CD LYS A 18 -9.254 -2.854 -9.255 1.00 0.00 C ATOM 295 CE LYS A 18 -9.248 -3.923 -10.337 1.00 0.00 C ATOM 296 NZ LYS A 18 -8.962 -3.361 -11.683 1.00 0.00 N ATOM 0 H LYS A 18 -7.139 -0.112 -5.856 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.697 -1.172 -8.060 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.954 -1.894 -7.055 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.661 -0.555 -7.937 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.790 -1.510 -10.066 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.109 -2.858 -9.176 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.476 -3.312 -8.291 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.048 -2.135 -9.457 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.500 -4.678 -10.095 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.215 -4.426 -10.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.085 -4.102 -12.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.617 -2.577 -11.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.984 -3.010 -11.712 1.00 0.00 H new ATOM 310 N SER A 19 -7.194 1.749 -8.449 1.00 0.00 N ATOM 311 CA SER A 19 -7.225 2.949 -9.274 1.00 0.00 C ATOM 312 C SER A 19 -5.822 3.541 -9.402 1.00 0.00 C ATOM 313 O SER A 19 -5.410 3.976 -10.478 1.00 0.00 O ATOM 314 CB SER A 19 -8.183 3.977 -8.667 1.00 0.00 C ATOM 315 OG SER A 19 -9.483 3.429 -8.507 1.00 0.00 O ATOM 0 H SER A 19 -7.738 1.815 -7.589 1.00 0.00 H new ATOM 0 HA SER A 19 -7.580 2.683 -10.270 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.802 4.308 -7.701 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.232 4.857 -9.308 1.00 0.00 H new ATOM 0 HG SER A 19 -9.471 2.763 -7.788 1.00 0.00 H new ATOM 321 N TRP A 20 -5.098 3.538 -8.291 1.00 0.00 N ATOM 322 CA TRP A 20 -3.718 4.000 -8.249 1.00 0.00 C ATOM 323 C TRP A 20 -2.835 3.154 -9.164 1.00 0.00 C ATOM 324 O TRP A 20 -2.068 3.684 -9.966 1.00 0.00 O ATOM 325 CB TRP A 20 -3.213 3.944 -6.801 1.00 0.00 C ATOM 326 CG TRP A 20 -1.740 4.178 -6.644 1.00 0.00 C ATOM 327 CD1 TRP A 20 -1.098 5.378 -6.592 1.00 0.00 C ATOM 328 CD2 TRP A 20 -0.733 3.173 -6.492 1.00 0.00 C ATOM 329 NE1 TRP A 20 0.252 5.182 -6.427 1.00 0.00 N ATOM 330 CE2 TRP A 20 0.500 3.835 -6.362 1.00 0.00 C ATOM 331 CE3 TRP A 20 -0.757 1.776 -6.456 1.00 0.00 C ATOM 332 CZ2 TRP A 20 1.699 3.146 -6.197 1.00 0.00 C ATOM 333 CZ3 TRP A 20 0.433 1.094 -6.293 1.00 0.00 C ATOM 334 CH2 TRP A 20 1.646 1.779 -6.164 1.00 0.00 C ATOM 0 H TRP A 20 -5.453 3.214 -7.391 1.00 0.00 H new ATOM 0 HA TRP A 20 -3.672 5.029 -8.607 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -3.750 4.688 -6.214 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.459 2.969 -6.382 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -1.579 6.342 -6.669 1.00 0.00 H new ATOM 0 HE1 TRP A 20 0.955 5.918 -6.363 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -1.689 1.239 -6.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 2.637 3.672 -6.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 0.427 0.014 -6.265 1.00 0.00 H new ATOM 0 HH2 TRP A 20 2.559 1.217 -6.036 1.00 0.00 H new ATOM 345 N PHE A 21 -2.971 1.840 -9.048 1.00 0.00 N ATOM 346 CA PHE A 21 -2.202 0.891 -9.851 1.00 0.00 C ATOM 347 C PHE A 21 -2.466 1.080 -11.347 1.00 0.00 C ATOM 348 O PHE A 21 -1.573 0.896 -12.176 1.00 0.00 O ATOM 349 CB PHE A 21 -2.565 -0.534 -9.409 1.00 0.00 C ATOM 350 CG PHE A 21 -1.939 -1.635 -10.219 1.00 0.00 C ATOM 351 CD1 PHE A 21 -0.629 -2.023 -9.994 1.00 0.00 C ATOM 352 CD2 PHE A 21 -2.671 -2.296 -11.192 1.00 0.00 C ATOM 353 CE1 PHE A 21 -0.062 -3.048 -10.726 1.00 0.00 C ATOM 354 CE2 PHE A 21 -2.107 -3.319 -11.929 1.00 0.00 C ATOM 355 CZ PHE A 21 -0.801 -3.695 -11.695 1.00 0.00 C ATOM 0 H PHE A 21 -3.618 1.399 -8.394 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.138 1.068 -9.692 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.272 -0.660 -8.367 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.649 -0.645 -9.451 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.045 -1.519 -9.238 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.695 -2.008 -11.377 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.960 -3.343 -10.540 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -2.688 -3.823 -12.687 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.357 -4.495 -12.269 1.00 0.00 H new ATOM 365 N ALA A 22 -3.692 1.454 -11.685 1.00 0.00 N ATOM 366 CA ALA A 22 -4.066 1.677 -13.077 1.00 0.00 C ATOM 367 C ALA A 22 -3.605 3.049 -13.566 1.00 0.00 C ATOM 368 O ALA A 22 -3.482 3.282 -14.771 1.00 0.00 O ATOM 369 CB ALA A 22 -5.572 1.534 -13.248 1.00 0.00 C ATOM 0 H ALA A 22 -4.446 1.610 -11.015 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.566 0.921 -13.683 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.837 1.703 -14.292 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.878 0.530 -12.954 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.081 2.267 -12.621 1.00 0.00 H new ATOM 375 N THR A 23 -3.344 3.948 -12.629 1.00 0.00 N ATOM 376 CA THR A 23 -2.964 5.313 -12.962 1.00 0.00 C ATOM 377 C THR A 23 -1.442 5.480 -12.974 1.00 0.00 C ATOM 378 O THR A 23 -0.894 6.204 -13.806 1.00 0.00 O ATOM 379 CB THR A 23 -3.592 6.310 -11.964 1.00 0.00 C ATOM 380 OG1 THR A 23 -5.017 6.139 -11.940 1.00 0.00 O ATOM 381 CG2 THR A 23 -3.262 7.748 -12.331 1.00 0.00 C ATOM 0 H THR A 23 -3.389 3.756 -11.628 1.00 0.00 H new ATOM 0 HA THR A 23 -3.340 5.524 -13.963 1.00 0.00 H new ATOM 0 HB THR A 23 -3.174 6.105 -10.978 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.259 5.506 -11.232 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.720 8.422 -11.607 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.181 7.887 -12.323 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.648 7.967 -13.326 1.00 0.00 H new ATOM 389 N LYS A 24 -0.767 4.805 -12.057 1.00 0.00 N ATOM 390 CA LYS A 24 0.677 4.931 -11.921 1.00 0.00 C ATOM 391 C LYS A 24 1.399 3.771 -12.601 1.00 0.00 C ATOM 392 O LYS A 24 1.245 2.614 -12.213 1.00 0.00 O ATOM 393 CB LYS A 24 1.058 5.007 -10.440 1.00 0.00 C ATOM 394 CG LYS A 24 2.551 5.139 -10.198 1.00 0.00 C ATOM 395 CD LYS A 24 2.858 5.425 -8.735 1.00 0.00 C ATOM 396 CE LYS A 24 4.332 5.738 -8.512 1.00 0.00 C ATOM 397 NZ LYS A 24 4.733 7.029 -9.135 1.00 0.00 N ATOM 0 H LYS A 24 -1.197 4.161 -11.393 1.00 0.00 H new ATOM 0 HA LYS A 24 0.989 5.851 -12.415 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.549 5.858 -9.987 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.695 4.112 -9.935 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.052 4.220 -10.503 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.951 5.941 -10.818 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.253 6.266 -8.395 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.575 4.564 -8.130 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.536 5.774 -7.442 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.939 4.933 -8.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.485 7.470 -8.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.084 6.855 -10.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.911 7.665 -9.175 1.00 0.00 H new ATOM 411 N THR A 25 2.195 4.097 -13.607 1.00 0.00 N ATOM 412 CA THR A 25 2.922 3.101 -14.382 1.00 0.00 C ATOM 413 C THR A 25 4.423 3.390 -14.361 1.00 0.00 C ATOM 414 O THR A 25 5.076 3.472 -15.402 1.00 0.00 O ATOM 415 CB THR A 25 2.421 3.077 -15.840 1.00 0.00 C ATOM 416 OG1 THR A 25 2.325 4.419 -16.346 1.00 0.00 O ATOM 417 CG2 THR A 25 1.066 2.394 -15.941 1.00 0.00 C ATOM 0 H THR A 25 2.356 5.058 -13.910 1.00 0.00 H new ATOM 0 HA THR A 25 2.743 2.127 -13.928 1.00 0.00 H new ATOM 0 HB THR A 25 3.137 2.511 -16.436 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.008 4.397 -17.273 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.737 2.391 -16.980 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.148 1.368 -15.584 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.340 2.933 -15.332 1.00 0.00 H new ATOM 425 N THR A 26 4.969 3.542 -13.164 1.00 0.00 N ATOM 426 CA THR A 26 6.366 3.915 -13.004 1.00 0.00 C ATOM 427 C THR A 26 7.284 2.691 -13.051 1.00 0.00 C ATOM 428 O THR A 26 8.463 2.796 -13.392 1.00 0.00 O ATOM 429 CB THR A 26 6.571 4.653 -11.671 1.00 0.00 C ATOM 430 OG1 THR A 26 5.513 5.601 -11.483 1.00 0.00 O ATOM 431 CG2 THR A 26 7.907 5.379 -11.645 1.00 0.00 C ATOM 0 H THR A 26 4.464 3.412 -12.287 1.00 0.00 H new ATOM 0 HA THR A 26 6.626 4.573 -13.834 1.00 0.00 H new ATOM 0 HB THR A 26 6.563 3.916 -10.868 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.785 6.471 -11.844 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.024 5.892 -10.690 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.715 4.659 -11.771 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.941 6.108 -12.455 1.00 0.00 H new ATOM 439 N TRP A 27 6.738 1.532 -12.720 1.00 0.00 N ATOM 440 CA TRP A 27 7.532 0.316 -12.646 1.00 0.00 C ATOM 441 C TRP A 27 7.296 -0.562 -13.867 1.00 0.00 C ATOM 442 O TRP A 27 6.455 -0.257 -14.714 1.00 0.00 O ATOM 443 CB TRP A 27 7.206 -0.464 -11.369 1.00 0.00 C ATOM 444 CG TRP A 27 7.544 0.274 -10.111 1.00 0.00 C ATOM 445 CD1 TRP A 27 8.772 0.737 -9.741 1.00 0.00 C ATOM 446 CD2 TRP A 27 6.649 0.613 -9.045 1.00 0.00 C ATOM 447 NE1 TRP A 27 8.695 1.360 -8.519 1.00 0.00 N ATOM 448 CE2 TRP A 27 7.402 1.292 -8.069 1.00 0.00 C ATOM 449 CE3 TRP A 27 5.284 0.414 -8.825 1.00 0.00 C ATOM 450 CZ2 TRP A 27 6.834 1.770 -6.889 1.00 0.00 C ATOM 451 CZ3 TRP A 27 4.724 0.885 -7.654 1.00 0.00 C ATOM 452 CH2 TRP A 27 5.498 1.557 -6.699 1.00 0.00 C ATOM 0 H TRP A 27 5.750 1.407 -12.499 1.00 0.00 H new ATOM 0 HA TRP A 27 8.583 0.603 -12.624 1.00 0.00 H new ATOM 0 HB2 TRP A 27 6.143 -0.707 -11.363 1.00 0.00 H new ATOM 0 HB3 TRP A 27 7.749 -1.409 -11.382 1.00 0.00 H new ATOM 0 HD1 TRP A 27 9.675 0.630 -10.324 1.00 0.00 H new ATOM 0 HE1 TRP A 27 9.472 1.801 -8.027 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.678 -0.099 -9.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 7.428 2.290 -6.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.671 0.733 -7.471 1.00 0.00 H new ATOM 0 HH2 TRP A 27 5.029 1.914 -5.794 1.00 0.00 H new ATOM 463 N SER A 28 8.045 -1.651 -13.947 1.00 0.00 N ATOM 464 CA SER A 28 7.929 -2.587 -15.053 1.00 0.00 C ATOM 465 C SER A 28 6.676 -3.450 -14.907 1.00 0.00 C ATOM 466 O SER A 28 6.089 -3.530 -13.823 1.00 0.00 O ATOM 467 CB SER A 28 9.176 -3.469 -15.109 1.00 0.00 C ATOM 468 OG SER A 28 10.353 -2.677 -15.087 1.00 0.00 O ATOM 0 H SER A 28 8.746 -1.909 -13.252 1.00 0.00 H new ATOM 0 HA SER A 28 7.843 -2.023 -15.982 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.179 -4.157 -14.263 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.157 -4.076 -16.014 1.00 0.00 H new ATOM 0 HG SER A 28 11.140 -3.260 -15.122 1.00 0.00 H new ATOM 474 N GLU A 29 6.285 -4.096 -16.002 1.00 0.00 N ATOM 475 CA GLU A 29 5.097 -4.945 -16.039 1.00 0.00 C ATOM 476 C GLU A 29 5.183 -6.025 -14.962 1.00 0.00 C ATOM 477 O GLU A 29 4.282 -6.160 -14.129 1.00 0.00 O ATOM 478 CB GLU A 29 4.977 -5.575 -17.436 1.00 0.00 C ATOM 479 CG GLU A 29 3.614 -6.176 -17.766 1.00 0.00 C ATOM 480 CD GLU A 29 3.329 -7.469 -17.030 1.00 0.00 C ATOM 481 OE1 GLU A 29 4.153 -8.406 -17.114 1.00 0.00 O ATOM 482 OE2 GLU A 29 2.271 -7.557 -16.374 1.00 0.00 O ATOM 0 H GLU A 29 6.784 -4.046 -16.890 1.00 0.00 H new ATOM 0 HA GLU A 29 4.210 -4.345 -15.839 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.210 -4.814 -18.181 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.732 -6.355 -17.531 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.838 -5.450 -17.523 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.556 -6.358 -18.839 1.00 0.00 H new ATOM 489 N ASP A 30 6.287 -6.768 -14.973 1.00 0.00 N ATOM 490 CA ASP A 30 6.505 -7.850 -14.013 1.00 0.00 C ATOM 491 C ASP A 30 6.510 -7.321 -12.589 1.00 0.00 C ATOM 492 O ASP A 30 5.952 -7.937 -11.681 1.00 0.00 O ATOM 493 CB ASP A 30 7.836 -8.557 -14.282 1.00 0.00 C ATOM 494 CG ASP A 30 7.905 -9.191 -15.653 1.00 0.00 C ATOM 495 OD1 ASP A 30 8.338 -8.512 -16.606 1.00 0.00 O ATOM 496 OD2 ASP A 30 7.540 -10.375 -15.789 1.00 0.00 O ATOM 0 H ASP A 30 7.049 -6.640 -15.639 1.00 0.00 H new ATOM 0 HA ASP A 30 5.686 -8.559 -14.132 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.649 -7.839 -14.179 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.992 -9.325 -13.525 1.00 0.00 H new ATOM 501 N TYR A 31 7.136 -6.166 -12.406 1.00 0.00 N ATOM 502 CA TYR A 31 7.285 -5.582 -11.083 1.00 0.00 C ATOM 503 C TYR A 31 5.928 -5.184 -10.521 1.00 0.00 C ATOM 504 O TYR A 31 5.593 -5.533 -9.390 1.00 0.00 O ATOM 505 CB TYR A 31 8.217 -4.370 -11.137 1.00 0.00 C ATOM 506 CG TYR A 31 8.742 -3.946 -9.782 1.00 0.00 C ATOM 507 CD1 TYR A 31 9.919 -4.485 -9.278 1.00 0.00 C ATOM 508 CD2 TYR A 31 8.066 -3.010 -9.010 1.00 0.00 C ATOM 509 CE1 TYR A 31 10.408 -4.102 -8.044 1.00 0.00 C ATOM 510 CE2 TYR A 31 8.549 -2.622 -7.774 1.00 0.00 C ATOM 511 CZ TYR A 31 9.720 -3.169 -7.296 1.00 0.00 C ATOM 512 OH TYR A 31 10.208 -2.784 -6.066 1.00 0.00 O ATOM 0 H TYR A 31 7.549 -5.616 -13.159 1.00 0.00 H new ATOM 0 HA TYR A 31 7.726 -6.329 -10.423 1.00 0.00 H new ATOM 0 HB2 TYR A 31 9.060 -4.600 -11.788 1.00 0.00 H new ATOM 0 HB3 TYR A 31 7.685 -3.533 -11.589 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.461 -5.216 -9.860 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.148 -2.578 -9.381 1.00 0.00 H new ATOM 0 HE1 TYR A 31 11.325 -4.531 -7.667 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.011 -1.893 -7.186 1.00 0.00 H new ATOM 0 HH TYR A 31 9.505 -2.881 -5.390 1.00 0.00 H new ATOM 522 N GLN A 32 5.135 -4.476 -11.319 1.00 0.00 N ATOM 523 CA GLN A 32 3.819 -4.029 -10.878 1.00 0.00 C ATOM 524 C GLN A 32 2.899 -5.215 -10.619 1.00 0.00 C ATOM 525 O GLN A 32 2.059 -5.174 -9.721 1.00 0.00 O ATOM 526 CB GLN A 32 3.187 -3.084 -11.899 1.00 0.00 C ATOM 527 CG GLN A 32 3.885 -1.741 -11.994 1.00 0.00 C ATOM 528 CD GLN A 32 3.123 -0.748 -12.845 1.00 0.00 C ATOM 529 OE1 GLN A 32 3.336 -0.651 -14.052 1.00 0.00 O ATOM 530 NE2 GLN A 32 2.221 -0.006 -12.219 1.00 0.00 N ATOM 0 H GLN A 32 5.379 -4.201 -12.270 1.00 0.00 H new ATOM 0 HA GLN A 32 3.953 -3.484 -9.944 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.199 -3.561 -12.879 1.00 0.00 H new ATOM 0 HB3 GLN A 32 2.142 -2.923 -11.635 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.014 -1.331 -10.992 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.882 -1.882 -12.412 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.076 -0.118 -11.216 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.672 0.677 -12.740 1.00 0.00 H new ATOM 539 N ARG A 33 3.071 -6.275 -11.404 1.00 0.00 N ATOM 540 CA ARG A 33 2.315 -7.505 -11.209 1.00 0.00 C ATOM 541 C ARG A 33 2.597 -8.085 -9.825 1.00 0.00 C ATOM 542 O ARG A 33 1.690 -8.559 -9.135 1.00 0.00 O ATOM 543 CB ARG A 33 2.670 -8.517 -12.303 1.00 0.00 C ATOM 544 CG ARG A 33 1.996 -9.869 -12.142 1.00 0.00 C ATOM 545 CD ARG A 33 2.310 -10.773 -13.320 1.00 0.00 C ATOM 546 NE ARG A 33 1.811 -12.135 -13.133 1.00 0.00 N ATOM 547 CZ ARG A 33 1.647 -13.005 -14.130 1.00 0.00 C ATOM 548 NH1 ARG A 33 1.838 -12.626 -15.387 1.00 0.00 N ATOM 549 NH2 ARG A 33 1.270 -14.248 -13.864 1.00 0.00 N ATOM 0 H ARG A 33 3.729 -6.305 -12.183 1.00 0.00 H new ATOM 0 HA ARG A 33 1.250 -7.282 -11.276 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.395 -8.100 -13.272 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.750 -8.661 -12.313 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.331 -10.339 -11.218 1.00 0.00 H new ATOM 0 HG3 ARG A 33 0.918 -9.735 -12.058 1.00 0.00 H new ATOM 0 HD2 ARG A 33 1.872 -10.351 -14.224 1.00 0.00 H new ATOM 0 HD3 ARG A 33 3.389 -10.803 -13.473 1.00 0.00 H new ATOM 0 HE ARG A 33 1.575 -12.436 -12.187 1.00 0.00 H new ATOM 0 HH11 ARG A 33 2.112 -11.665 -15.594 1.00 0.00 H new ATOM 0 HH12 ARG A 33 1.711 -13.295 -16.146 1.00 0.00 H new ATOM 0 HH21 ARG A 33 1.106 -14.536 -12.899 1.00 0.00 H new ATOM 0 HH22 ARG A 33 1.144 -14.916 -14.624 1.00 0.00 H new ATOM 563 N SER A 34 3.857 -8.027 -9.415 1.00 0.00 N ATOM 564 CA SER A 34 4.238 -8.473 -8.088 1.00 0.00 C ATOM 565 C SER A 34 3.682 -7.520 -7.033 1.00 0.00 C ATOM 566 O SER A 34 3.084 -7.959 -6.053 1.00 0.00 O ATOM 567 CB SER A 34 5.761 -8.572 -7.966 1.00 0.00 C ATOM 568 OG SER A 34 6.138 -9.126 -6.714 1.00 0.00 O ATOM 0 H SER A 34 4.628 -7.676 -9.983 1.00 0.00 H new ATOM 0 HA SER A 34 3.817 -9.465 -7.923 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.154 -9.189 -8.774 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.203 -7.582 -8.077 1.00 0.00 H new ATOM 0 HG SER A 34 7.115 -9.180 -6.661 1.00 0.00 H new ATOM 574 N VAL A 35 3.862 -6.217 -7.260 1.00 0.00 N ATOM 575 CA VAL A 35 3.375 -5.188 -6.338 1.00 0.00 C ATOM 576 C VAL A 35 1.892 -5.373 -6.039 1.00 0.00 C ATOM 577 O VAL A 35 1.487 -5.424 -4.875 1.00 0.00 O ATOM 578 CB VAL A 35 3.594 -3.766 -6.905 1.00 0.00 C ATOM 579 CG1 VAL A 35 2.997 -2.712 -5.987 1.00 0.00 C ATOM 580 CG2 VAL A 35 5.073 -3.498 -7.122 1.00 0.00 C ATOM 0 H VAL A 35 4.344 -5.848 -8.079 1.00 0.00 H new ATOM 0 HA VAL A 35 3.949 -5.298 -5.418 1.00 0.00 H new ATOM 0 HB VAL A 35 3.084 -3.708 -7.866 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.166 -1.722 -6.411 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.926 -2.884 -5.884 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.470 -2.773 -5.007 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.206 -2.492 -7.521 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.602 -3.584 -6.173 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.475 -4.225 -7.828 1.00 0.00 H new ATOM 590 N TRP A 36 1.094 -5.488 -7.093 1.00 0.00 N ATOM 591 CA TRP A 36 -0.345 -5.654 -6.956 1.00 0.00 C ATOM 592 C TRP A 36 -0.667 -6.900 -6.132 1.00 0.00 C ATOM 593 O TRP A 36 -1.496 -6.857 -5.219 1.00 0.00 O ATOM 594 CB TRP A 36 -1.001 -5.740 -8.337 1.00 0.00 C ATOM 595 CG TRP A 36 -2.487 -5.893 -8.281 1.00 0.00 C ATOM 596 CD1 TRP A 36 -3.225 -6.917 -8.799 1.00 0.00 C ATOM 597 CD2 TRP A 36 -3.416 -4.999 -7.662 1.00 0.00 C ATOM 598 NE1 TRP A 36 -4.559 -6.715 -8.539 1.00 0.00 N ATOM 599 CE2 TRP A 36 -4.701 -5.543 -7.841 1.00 0.00 C ATOM 600 CE3 TRP A 36 -3.286 -3.790 -6.969 1.00 0.00 C ATOM 601 CZ2 TRP A 36 -5.847 -4.919 -7.354 1.00 0.00 C ATOM 602 CZ3 TRP A 36 -4.423 -3.174 -6.487 1.00 0.00 C ATOM 603 CH2 TRP A 36 -5.688 -3.739 -6.680 1.00 0.00 C ATOM 0 H TRP A 36 1.423 -5.469 -8.058 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.746 -4.786 -6.433 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.757 -4.841 -8.903 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.577 -6.584 -8.880 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.820 -7.763 -9.335 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -5.319 -7.335 -8.819 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.313 -3.347 -6.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.826 -5.351 -7.503 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.335 -2.240 -5.952 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.558 -3.233 -6.289 1.00 0.00 H new ATOM 614 N THR A 37 0.014 -7.995 -6.443 1.00 0.00 N ATOM 615 CA THR A 37 -0.178 -9.244 -5.722 1.00 0.00 C ATOM 616 C THR A 37 0.203 -9.085 -4.247 1.00 0.00 C ATOM 617 O THR A 37 -0.513 -9.552 -3.358 1.00 0.00 O ATOM 618 CB THR A 37 0.647 -10.380 -6.357 1.00 0.00 C ATOM 619 OG1 THR A 37 0.328 -10.491 -7.750 1.00 0.00 O ATOM 620 CG2 THR A 37 0.369 -11.709 -5.671 1.00 0.00 C ATOM 0 H THR A 37 0.705 -8.042 -7.191 1.00 0.00 H new ATOM 0 HA THR A 37 -1.235 -9.504 -5.786 1.00 0.00 H new ATOM 0 HB THR A 37 1.703 -10.140 -6.235 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.811 -9.801 -8.252 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.965 -12.492 -6.140 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.632 -11.636 -4.616 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.689 -11.953 -5.765 1.00 0.00 H new ATOM 628 N ARG A 38 1.323 -8.407 -3.993 1.00 0.00 N ATOM 629 CA ARG A 38 1.772 -8.150 -2.626 1.00 0.00 C ATOM 630 C ARG A 38 0.716 -7.364 -1.863 1.00 0.00 C ATOM 631 O ARG A 38 0.395 -7.685 -0.717 1.00 0.00 O ATOM 632 CB ARG A 38 3.087 -7.364 -2.609 1.00 0.00 C ATOM 633 CG ARG A 38 4.251 -8.063 -3.292 1.00 0.00 C ATOM 634 CD ARG A 38 4.593 -9.386 -2.629 1.00 0.00 C ATOM 635 NE ARG A 38 5.776 -10.000 -3.233 1.00 0.00 N ATOM 636 CZ ARG A 38 6.223 -11.222 -2.944 1.00 0.00 C ATOM 637 NH1 ARG A 38 5.580 -11.982 -2.065 1.00 0.00 N ATOM 638 NH2 ARG A 38 7.322 -11.674 -3.530 1.00 0.00 N ATOM 0 H ARG A 38 1.934 -8.027 -4.716 1.00 0.00 H new ATOM 0 HA ARG A 38 1.934 -9.116 -2.148 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.925 -6.400 -3.092 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.360 -7.160 -1.574 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.005 -8.236 -4.340 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.125 -7.412 -3.273 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.768 -9.226 -1.565 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.746 -10.066 -2.714 1.00 0.00 H new ATOM 0 HE ARG A 38 6.294 -9.455 -3.923 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.739 -11.631 -1.607 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.927 -12.916 -1.848 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.822 -11.088 -4.199 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.669 -12.608 -3.313 1.00 0.00 H new ATOM 652 N LEU A 39 0.174 -6.342 -2.517 1.00 0.00 N ATOM 653 CA LEU A 39 -0.840 -5.490 -1.916 1.00 0.00 C ATOM 654 C LEU A 39 -2.057 -6.303 -1.488 1.00 0.00 C ATOM 655 O LEU A 39 -2.433 -6.285 -0.318 1.00 0.00 O ATOM 656 CB LEU A 39 -1.260 -4.383 -2.889 1.00 0.00 C ATOM 657 CG LEU A 39 -0.170 -3.363 -3.231 1.00 0.00 C ATOM 658 CD1 LEU A 39 -0.693 -2.337 -4.224 1.00 0.00 C ATOM 659 CD2 LEU A 39 0.328 -2.675 -1.968 1.00 0.00 C ATOM 0 H LEU A 39 0.424 -6.084 -3.472 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.406 -5.031 -1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.604 -4.846 -3.814 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.111 -3.851 -2.463 1.00 0.00 H new ATOM 0 HG LEU A 39 0.666 -3.891 -3.690 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.095 -1.620 -4.456 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.005 -2.842 -5.138 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.545 -1.813 -3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.102 -1.953 -2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.501 -2.159 -1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.740 -3.419 -1.287 1.00 0.00 H new ATOM 671 N GLU A 40 -2.648 -7.039 -2.428 1.00 0.00 N ATOM 672 CA GLU A 40 -3.856 -7.815 -2.149 1.00 0.00 C ATOM 673 C GLU A 40 -3.633 -8.828 -1.024 1.00 0.00 C ATOM 674 O GLU A 40 -4.559 -9.160 -0.283 1.00 0.00 O ATOM 675 CB GLU A 40 -4.343 -8.551 -3.399 1.00 0.00 C ATOM 676 CG GLU A 40 -4.769 -7.634 -4.532 1.00 0.00 C ATOM 677 CD GLU A 40 -5.521 -8.375 -5.621 1.00 0.00 C ATOM 678 OE1 GLU A 40 -4.900 -9.188 -6.336 1.00 0.00 O ATOM 679 OE2 GLU A 40 -6.748 -8.165 -5.754 1.00 0.00 O ATOM 0 H GLU A 40 -2.311 -7.114 -3.388 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.617 -7.102 -1.832 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.547 -9.205 -3.755 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.183 -9.190 -3.127 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.400 -6.839 -4.135 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.888 -7.158 -4.962 1.00 0.00 H new ATOM 686 N THR A 41 -2.407 -9.305 -0.889 1.00 0.00 N ATOM 687 CA THR A 41 -2.101 -10.339 0.087 1.00 0.00 C ATOM 688 C THR A 41 -1.877 -9.758 1.490 1.00 0.00 C ATOM 689 O THR A 41 -2.389 -10.290 2.479 1.00 0.00 O ATOM 690 CB THR A 41 -0.856 -11.142 -0.337 1.00 0.00 C ATOM 691 OG1 THR A 41 -0.993 -11.559 -1.704 1.00 0.00 O ATOM 692 CG2 THR A 41 -0.668 -12.366 0.548 1.00 0.00 C ATOM 0 H THR A 41 -1.608 -8.994 -1.442 1.00 0.00 H new ATOM 0 HA THR A 41 -2.966 -11.001 0.124 1.00 0.00 H new ATOM 0 HB THR A 41 0.018 -10.499 -0.230 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.797 -10.804 -2.297 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.218 -12.915 0.227 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.544 -12.050 1.584 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.543 -13.011 0.468 1.00 0.00 H new ATOM 700 N TYR A 42 -1.122 -8.669 1.580 1.00 0.00 N ATOM 701 CA TYR A 42 -0.703 -8.153 2.881 1.00 0.00 C ATOM 702 C TYR A 42 -1.427 -6.863 3.272 1.00 0.00 C ATOM 703 O TYR A 42 -1.813 -6.689 4.426 1.00 0.00 O ATOM 704 CB TYR A 42 0.809 -7.907 2.893 1.00 0.00 C ATOM 705 CG TYR A 42 1.637 -9.124 2.537 1.00 0.00 C ATOM 706 CD1 TYR A 42 1.733 -10.202 3.407 1.00 0.00 C ATOM 707 CD2 TYR A 42 2.326 -9.190 1.334 1.00 0.00 C ATOM 708 CE1 TYR A 42 2.492 -11.313 3.085 1.00 0.00 C ATOM 709 CE2 TYR A 42 3.086 -10.295 1.003 1.00 0.00 C ATOM 710 CZ TYR A 42 3.167 -11.355 1.882 1.00 0.00 C ATOM 711 OH TYR A 42 3.930 -12.454 1.557 1.00 0.00 O ATOM 0 H TYR A 42 -0.790 -8.131 0.780 1.00 0.00 H new ATOM 0 HA TYR A 42 -0.969 -8.914 3.615 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.041 -7.105 2.192 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.102 -7.559 3.884 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.207 -10.173 4.350 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.267 -8.362 0.644 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.556 -12.144 3.772 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.614 -10.329 0.061 1.00 0.00 H new ATOM 0 HH TYR A 42 4.336 -12.321 0.675 1.00 0.00 H new ATOM 721 N LEU A 43 -1.625 -5.972 2.310 1.00 0.00 N ATOM 722 CA LEU A 43 -2.079 -4.616 2.609 1.00 0.00 C ATOM 723 C LEU A 43 -3.544 -4.415 2.208 1.00 0.00 C ATOM 724 O LEU A 43 -4.024 -3.291 2.100 1.00 0.00 O ATOM 725 CB LEU A 43 -1.176 -3.616 1.877 1.00 0.00 C ATOM 726 CG LEU A 43 -1.233 -2.178 2.392 1.00 0.00 C ATOM 727 CD1 LEU A 43 -0.781 -2.113 3.843 1.00 0.00 C ATOM 728 CD2 LEU A 43 -0.376 -1.269 1.528 1.00 0.00 C ATOM 0 H LEU A 43 -1.480 -6.160 1.318 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.015 -4.451 3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.146 -3.967 1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.445 -3.616 0.821 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.266 -1.834 2.337 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.828 -1.082 4.193 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.434 -2.734 4.456 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.244 -2.476 3.922 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.428 -0.249 1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.658 -1.613 1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.742 -1.292 0.501 1.00 0.00 H new ATOM 740 N PHE A 44 -4.250 -5.511 1.999 1.00 0.00 N ATOM 741 CA PHE A 44 -5.660 -5.456 1.619 1.00 0.00 C ATOM 742 C PHE A 44 -6.609 -6.087 2.656 1.00 0.00 C ATOM 743 O PHE A 44 -7.682 -5.542 2.894 1.00 0.00 O ATOM 744 CB PHE A 44 -5.875 -6.117 0.258 1.00 0.00 C ATOM 745 CG PHE A 44 -5.750 -5.171 -0.905 1.00 0.00 C ATOM 746 CD1 PHE A 44 -4.717 -4.249 -0.968 1.00 0.00 C ATOM 747 CD2 PHE A 44 -6.671 -5.208 -1.937 1.00 0.00 C ATOM 748 CE1 PHE A 44 -4.607 -3.383 -2.036 1.00 0.00 C ATOM 749 CE2 PHE A 44 -6.564 -4.344 -3.008 1.00 0.00 C ATOM 750 CZ PHE A 44 -5.532 -3.432 -3.058 1.00 0.00 C ATOM 0 H PHE A 44 -3.874 -6.455 2.085 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.911 -4.396 1.568 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.151 -6.923 0.138 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.865 -6.573 0.239 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.989 -4.208 -0.171 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.482 -5.920 -1.904 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.798 -2.668 -2.072 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.289 -4.383 -3.807 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.448 -2.756 -3.896 1.00 0.00 H new ATOM 760 N PRO A 45 -6.255 -7.227 3.304 1.00 0.00 N ATOM 761 CA PRO A 45 -7.209 -7.967 4.151 1.00 0.00 C ATOM 762 C PRO A 45 -7.674 -7.187 5.381 1.00 0.00 C ATOM 763 O PRO A 45 -8.694 -7.523 5.984 1.00 0.00 O ATOM 764 CB PRO A 45 -6.424 -9.211 4.583 1.00 0.00 C ATOM 765 CG PRO A 45 -4.995 -8.820 4.460 1.00 0.00 C ATOM 766 CD PRO A 45 -4.932 -7.879 3.292 1.00 0.00 C ATOM 0 HA PRO A 45 -8.126 -8.182 3.602 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.669 -9.498 5.606 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.656 -10.066 3.948 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.641 -8.338 5.371 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -4.363 -9.692 4.295 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.126 -7.154 3.404 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.755 -8.411 2.357 1.00 0.00 H new ATOM 774 N ASP A 46 -6.932 -6.150 5.749 1.00 0.00 N ATOM 775 CA ASP A 46 -7.239 -5.386 6.954 1.00 0.00 C ATOM 776 C ASP A 46 -7.839 -4.021 6.624 1.00 0.00 C ATOM 777 O ASP A 46 -8.850 -3.623 7.202 1.00 0.00 O ATOM 778 CB ASP A 46 -5.976 -5.206 7.804 1.00 0.00 C ATOM 779 CG ASP A 46 -5.484 -6.511 8.402 1.00 0.00 C ATOM 780 OD1 ASP A 46 -5.982 -6.899 9.479 1.00 0.00 O ATOM 781 OD2 ASP A 46 -4.595 -7.159 7.802 1.00 0.00 O ATOM 0 H ASP A 46 -6.116 -5.819 5.234 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.981 -5.951 7.518 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.187 -4.772 7.189 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.181 -4.497 8.606 1.00 0.00 H new ATOM 786 N ILE A 47 -7.222 -3.313 5.692 1.00 0.00 N ATOM 787 CA ILE A 47 -7.613 -1.940 5.388 1.00 0.00 C ATOM 788 C ILE A 47 -8.387 -1.828 4.078 1.00 0.00 C ATOM 789 O ILE A 47 -8.954 -0.777 3.781 1.00 0.00 O ATOM 790 CB ILE A 47 -6.372 -1.035 5.300 1.00 0.00 C ATOM 791 CG1 ILE A 47 -5.338 -1.662 4.368 1.00 0.00 C ATOM 792 CG2 ILE A 47 -5.778 -0.797 6.676 1.00 0.00 C ATOM 793 CD1 ILE A 47 -4.035 -0.903 4.300 1.00 0.00 C ATOM 0 H ILE A 47 -6.447 -3.664 5.130 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.265 -1.619 6.201 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.673 -0.069 4.894 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.137 -2.681 4.698 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.761 -1.729 3.365 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.902 -0.155 6.588 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.519 -0.315 7.314 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.486 -1.750 7.116 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.353 -1.411 3.618 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.222 0.109 3.940 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.588 -0.858 5.293 1.00 0.00 H new ATOM 805 N GLY A 48 -8.420 -2.910 3.311 1.00 0.00 N ATOM 806 CA GLY A 48 -8.984 -2.871 1.972 1.00 0.00 C ATOM 807 C GLY A 48 -10.432 -2.424 1.931 1.00 0.00 C ATOM 808 O GLY A 48 -10.818 -1.639 1.062 1.00 0.00 O ATOM 0 H GLY A 48 -8.063 -3.823 3.594 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.388 -2.197 1.356 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.907 -3.863 1.526 1.00 0.00 H new ATOM 812 N ASN A 49 -11.231 -2.908 2.871 1.00 0.00 N ATOM 813 CA ASN A 49 -12.661 -2.611 2.885 1.00 0.00 C ATOM 814 C ASN A 49 -12.968 -1.375 3.725 1.00 0.00 C ATOM 815 O ASN A 49 -14.129 -0.982 3.861 1.00 0.00 O ATOM 816 CB ASN A 49 -13.454 -3.802 3.431 1.00 0.00 C ATOM 817 CG ASN A 49 -13.214 -4.052 4.911 1.00 0.00 C ATOM 818 OD1 ASN A 49 -12.119 -3.823 5.435 1.00 0.00 O ATOM 819 ND2 ASN A 49 -14.245 -4.511 5.601 1.00 0.00 N ATOM 0 H ASN A 49 -10.917 -3.507 3.634 1.00 0.00 H new ATOM 0 HA ASN A 49 -12.959 -2.415 1.855 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -14.517 -3.629 3.266 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -13.186 -4.697 2.870 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -14.151 -4.688 6.601 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -15.134 -4.688 5.133 1.00 0.00 H new ATOM 826 N LYS A 50 -11.935 -0.763 4.282 1.00 0.00 N ATOM 827 CA LYS A 50 -12.122 0.384 5.158 1.00 0.00 C ATOM 828 C LYS A 50 -12.270 1.664 4.345 1.00 0.00 C ATOM 829 O LYS A 50 -11.820 1.735 3.201 1.00 0.00 O ATOM 830 CB LYS A 50 -10.952 0.511 6.138 1.00 0.00 C ATOM 831 CG LYS A 50 -10.767 -0.701 7.042 1.00 0.00 C ATOM 832 CD LYS A 50 -12.024 -0.997 7.843 1.00 0.00 C ATOM 833 CE LYS A 50 -11.791 -2.094 8.872 1.00 0.00 C ATOM 834 NZ LYS A 50 -11.360 -3.372 8.246 1.00 0.00 N ATOM 0 H LYS A 50 -10.963 -1.039 4.145 1.00 0.00 H new ATOM 0 HA LYS A 50 -13.038 0.229 5.729 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.034 0.674 5.573 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.105 1.394 6.758 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.506 -1.570 6.438 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.934 -0.525 7.723 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.356 -0.090 8.347 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.824 -1.297 7.166 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.033 -1.767 9.584 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -12.708 -2.260 9.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.703 -4.171 8.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.754 -3.438 7.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.322 -3.402 8.197 1.00 0.00 H new ATOM 848 N ASP A 51 -12.884 2.675 4.952 1.00 0.00 N ATOM 849 CA ASP A 51 -13.138 3.953 4.280 1.00 0.00 C ATOM 850 C ASP A 51 -11.863 4.764 4.127 1.00 0.00 C ATOM 851 O ASP A 51 -11.886 5.854 3.549 1.00 0.00 O ATOM 852 CB ASP A 51 -14.157 4.788 5.062 1.00 0.00 C ATOM 853 CG ASP A 51 -15.571 4.274 4.930 1.00 0.00 C ATOM 854 OD1 ASP A 51 -15.911 3.269 5.590 1.00 0.00 O ATOM 855 OD2 ASP A 51 -16.363 4.877 4.172 1.00 0.00 O ATOM 0 H ASP A 51 -13.218 2.637 5.915 1.00 0.00 H new ATOM 0 HA ASP A 51 -13.534 3.717 3.292 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -13.877 4.798 6.115 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.118 5.819 4.712 1.00 0.00 H new ATOM 860 N ILE A 52 -10.767 4.249 4.684 1.00 0.00 N ATOM 861 CA ILE A 52 -9.469 4.924 4.650 1.00 0.00 C ATOM 862 C ILE A 52 -9.434 6.117 5.615 1.00 0.00 C ATOM 863 O ILE A 52 -8.440 6.334 6.302 1.00 0.00 O ATOM 864 CB ILE A 52 -9.094 5.350 3.204 1.00 0.00 C ATOM 865 CG1 ILE A 52 -7.962 4.467 2.665 1.00 0.00 C ATOM 866 CG2 ILE A 52 -8.711 6.821 3.134 1.00 0.00 C ATOM 867 CD1 ILE A 52 -6.603 4.775 3.258 1.00 0.00 C ATOM 0 H ILE A 52 -10.754 3.353 5.171 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.717 4.211 4.987 1.00 0.00 H new ATOM 0 HB ILE A 52 -9.975 5.213 2.576 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.205 3.423 2.862 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.909 4.583 1.582 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -8.455 7.082 2.107 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.551 7.432 3.465 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -7.852 7.004 3.780 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.858 4.108 2.825 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.336 5.809 3.038 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.636 4.631 4.338 1.00 0.00 H new ATOM 879 N ALA A 53 -10.534 6.861 5.687 1.00 0.00 N ATOM 880 CA ALA A 53 -10.653 7.977 6.619 1.00 0.00 C ATOM 881 C ALA A 53 -10.691 7.464 8.054 1.00 0.00 C ATOM 882 O ALA A 53 -10.484 8.213 9.007 1.00 0.00 O ATOM 883 CB ALA A 53 -11.899 8.793 6.311 1.00 0.00 C ATOM 0 H ALA A 53 -11.360 6.710 5.108 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.782 8.622 6.505 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.974 9.622 7.015 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.836 9.184 5.295 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.781 8.159 6.402 1.00 0.00 H new ATOM 889 N GLU A 54 -10.962 6.173 8.187 1.00 0.00 N ATOM 890 CA GLU A 54 -10.976 5.512 9.483 1.00 0.00 C ATOM 891 C GLU A 54 -9.556 5.147 9.887 1.00 0.00 C ATOM 892 O GLU A 54 -9.257 4.957 11.065 1.00 0.00 O ATOM 893 CB GLU A 54 -11.802 4.228 9.418 1.00 0.00 C ATOM 894 CG GLU A 54 -13.180 4.398 8.809 1.00 0.00 C ATOM 895 CD GLU A 54 -13.857 3.065 8.569 1.00 0.00 C ATOM 896 OE1 GLU A 54 -13.485 2.376 7.599 1.00 0.00 O ATOM 897 OE2 GLU A 54 -14.747 2.688 9.361 1.00 0.00 O ATOM 0 H GLU A 54 -11.177 5.557 7.403 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.415 6.194 10.211 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.252 3.486 8.840 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.911 3.829 10.427 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.797 5.005 9.471 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.097 4.938 7.866 1.00 0.00 H new ATOM 904 N LEU A 55 -8.685 5.060 8.892 1.00 0.00 N ATOM 905 CA LEU A 55 -7.350 4.527 9.082 1.00 0.00 C ATOM 906 C LEU A 55 -6.356 5.638 9.374 1.00 0.00 C ATOM 907 O LEU A 55 -5.937 6.360 8.471 1.00 0.00 O ATOM 908 CB LEU A 55 -6.906 3.768 7.828 1.00 0.00 C ATOM 909 CG LEU A 55 -7.889 2.713 7.315 1.00 0.00 C ATOM 910 CD1 LEU A 55 -7.453 2.205 5.952 1.00 0.00 C ATOM 911 CD2 LEU A 55 -7.999 1.556 8.295 1.00 0.00 C ATOM 0 H LEU A 55 -8.885 5.356 7.937 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.376 3.848 9.934 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.727 4.490 7.032 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.954 3.281 8.037 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.870 3.178 7.221 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.161 1.455 5.599 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.423 3.036 5.247 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.461 1.759 6.030 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.703 0.818 7.910 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.021 1.092 8.422 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.352 1.927 9.257 1.00 0.00 H new ATOM 923 N ASP A 56 -5.998 5.793 10.636 1.00 0.00 N ATOM 924 CA ASP A 56 -4.926 6.705 10.993 1.00 0.00 C ATOM 925 C ASP A 56 -3.610 5.942 10.947 1.00 0.00 C ATOM 926 O ASP A 56 -3.567 4.808 10.459 1.00 0.00 O ATOM 927 CB ASP A 56 -5.148 7.328 12.381 1.00 0.00 C ATOM 928 CG ASP A 56 -4.962 6.345 13.522 1.00 0.00 C ATOM 929 OD1 ASP A 56 -5.944 5.679 13.902 1.00 0.00 O ATOM 930 OD2 ASP A 56 -3.835 6.241 14.048 1.00 0.00 O ATOM 0 H ASP A 56 -6.428 5.306 11.422 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.906 7.529 10.280 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.456 8.160 12.512 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.156 7.741 12.428 1.00 0.00 H new ATOM 935 N THR A 57 -2.545 6.545 11.454 1.00 0.00 N ATOM 936 CA THR A 57 -1.243 5.911 11.436 1.00 0.00 C ATOM 937 C THR A 57 -1.297 4.526 12.085 1.00 0.00 C ATOM 938 O THR A 57 -0.707 3.578 11.577 1.00 0.00 O ATOM 939 CB THR A 57 -0.194 6.766 12.161 1.00 0.00 C ATOM 940 OG1 THR A 57 -0.336 8.144 11.786 1.00 0.00 O ATOM 941 CG2 THR A 57 1.202 6.290 11.804 1.00 0.00 C ATOM 0 H THR A 57 -2.560 7.471 11.881 1.00 0.00 H new ATOM 0 HA THR A 57 -0.954 5.808 10.390 1.00 0.00 H new ATOM 0 HB THR A 57 -0.347 6.667 13.236 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.327 8.366 11.100 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.939 6.903 12.323 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.319 5.249 12.104 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.352 6.376 10.728 1.00 0.00 H new ATOM 949 N GLY A 58 -2.041 4.412 13.180 1.00 0.00 N ATOM 950 CA GLY A 58 -2.130 3.152 13.891 1.00 0.00 C ATOM 951 C GLY A 58 -2.733 2.043 13.045 1.00 0.00 C ATOM 952 O GLY A 58 -2.163 0.960 12.940 1.00 0.00 O ATOM 0 H GLY A 58 -2.585 5.172 13.588 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.134 2.853 14.218 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.733 3.288 14.789 1.00 0.00 H new ATOM 956 N ASP A 59 -3.865 2.328 12.408 1.00 0.00 N ATOM 957 CA ASP A 59 -4.581 1.323 11.618 1.00 0.00 C ATOM 958 C ASP A 59 -3.791 0.911 10.382 1.00 0.00 C ATOM 959 O ASP A 59 -4.022 -0.158 9.820 1.00 0.00 O ATOM 960 CB ASP A 59 -5.965 1.838 11.206 1.00 0.00 C ATOM 961 CG ASP A 59 -6.967 1.806 12.344 1.00 0.00 C ATOM 962 OD1 ASP A 59 -7.054 2.800 13.090 1.00 0.00 O ATOM 963 OD2 ASP A 59 -7.671 0.783 12.497 1.00 0.00 O ATOM 0 H ASP A 59 -4.309 3.246 12.422 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.703 0.444 12.251 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.873 2.860 10.838 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.341 1.235 10.380 1.00 0.00 H new ATOM 968 N LEU A 60 -2.867 1.758 9.959 1.00 0.00 N ATOM 969 CA LEU A 60 -1.997 1.445 8.829 1.00 0.00 C ATOM 970 C LEU A 60 -0.736 0.717 9.295 1.00 0.00 C ATOM 971 O LEU A 60 -0.246 -0.212 8.634 1.00 0.00 O ATOM 972 CB LEU A 60 -1.624 2.734 8.099 1.00 0.00 C ATOM 973 CG LEU A 60 -2.770 3.393 7.330 1.00 0.00 C ATOM 974 CD1 LEU A 60 -2.471 4.859 7.078 1.00 0.00 C ATOM 975 CD2 LEU A 60 -2.995 2.672 6.012 1.00 0.00 C ATOM 0 H LEU A 60 -2.697 2.671 10.380 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.534 0.785 8.148 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.236 3.447 8.826 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.815 2.518 7.402 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.676 3.324 7.932 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.298 5.310 6.530 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.344 5.373 8.031 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.556 4.948 6.492 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.813 3.148 5.472 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.087 2.720 5.411 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.247 1.629 6.206 1.00 0.00 H new ATOM 987 N LEU A 61 -0.221 1.130 10.445 1.00 0.00 N ATOM 988 CA LEU A 61 0.989 0.543 10.991 1.00 0.00 C ATOM 989 C LEU A 61 0.789 -0.919 11.346 1.00 0.00 C ATOM 990 O LEU A 61 1.723 -1.690 11.258 1.00 0.00 O ATOM 991 CB LEU A 61 1.481 1.308 12.223 1.00 0.00 C ATOM 992 CG LEU A 61 2.138 2.660 11.940 1.00 0.00 C ATOM 993 CD1 LEU A 61 2.630 3.288 13.234 1.00 0.00 C ATOM 994 CD2 LEU A 61 3.285 2.503 10.949 1.00 0.00 C ATOM 0 H LEU A 61 -0.626 1.871 11.017 1.00 0.00 H new ATOM 0 HA LEU A 61 1.747 0.613 10.211 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.635 1.468 12.892 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.195 0.681 12.757 1.00 0.00 H new ATOM 0 HG LEU A 61 1.393 3.321 11.496 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.095 4.250 13.018 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.788 3.436 13.910 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.360 2.629 13.704 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.739 3.476 10.761 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.033 1.827 11.363 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.904 2.094 10.013 1.00 0.00 H new ATOM 1006 N VAL A 62 -0.423 -1.302 11.733 1.00 0.00 N ATOM 1007 CA VAL A 62 -0.673 -2.683 12.143 1.00 0.00 C ATOM 1008 C VAL A 62 -0.453 -3.676 10.992 1.00 0.00 C ATOM 1009 O VAL A 62 0.319 -4.618 11.150 1.00 0.00 O ATOM 1010 CB VAL A 62 -2.076 -2.886 12.757 1.00 0.00 C ATOM 1011 CG1 VAL A 62 -2.237 -4.318 13.238 1.00 0.00 C ATOM 1012 CG2 VAL A 62 -2.299 -1.922 13.908 1.00 0.00 C ATOM 0 H VAL A 62 -1.237 -0.689 11.772 1.00 0.00 H new ATOM 0 HA VAL A 62 0.060 -2.889 12.923 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.821 -2.686 11.987 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.230 -4.448 13.669 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.114 -5.000 12.397 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.483 -4.535 13.994 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.292 -2.080 14.328 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.548 -2.095 14.679 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.217 -0.897 13.545 1.00 0.00 H new ATOM 1022 N PRO A 63 -1.116 -3.511 9.821 1.00 0.00 N ATOM 1023 CA PRO A 63 -0.852 -4.372 8.666 1.00 0.00 C ATOM 1024 C PRO A 63 0.622 -4.361 8.261 1.00 0.00 C ATOM 1025 O PRO A 63 1.188 -5.406 7.926 1.00 0.00 O ATOM 1026 CB PRO A 63 -1.726 -3.804 7.541 1.00 0.00 C ATOM 1027 CG PRO A 63 -2.252 -2.501 8.039 1.00 0.00 C ATOM 1028 CD PRO A 63 -2.183 -2.540 9.544 1.00 0.00 C ATOM 0 HA PRO A 63 -1.083 -5.413 8.892 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.145 -3.666 6.629 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.541 -4.486 7.300 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.661 -1.673 7.648 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.278 -2.347 7.705 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.949 -1.560 9.959 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.132 -2.853 9.980 1.00 0.00 H new ATOM 1036 N ILE A 64 1.253 -3.189 8.304 1.00 0.00 N ATOM 1037 CA ILE A 64 2.684 -3.103 8.015 1.00 0.00 C ATOM 1038 C ILE A 64 3.490 -3.861 9.075 1.00 0.00 C ATOM 1039 O ILE A 64 4.413 -4.612 8.758 1.00 0.00 O ATOM 1040 CB ILE A 64 3.165 -1.636 7.945 1.00 0.00 C ATOM 1041 CG1 ILE A 64 2.412 -0.891 6.837 1.00 0.00 C ATOM 1042 CG2 ILE A 64 4.670 -1.575 7.706 1.00 0.00 C ATOM 1043 CD1 ILE A 64 2.761 0.579 6.744 1.00 0.00 C ATOM 0 H ILE A 64 0.807 -2.301 8.532 1.00 0.00 H new ATOM 0 HA ILE A 64 2.847 -3.560 7.039 1.00 0.00 H new ATOM 0 HB ILE A 64 2.954 -1.152 8.899 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.627 -1.367 5.880 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.340 -0.990 7.009 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.989 -0.534 7.660 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.189 -2.078 8.522 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.909 -2.070 6.765 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.189 1.038 5.938 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.519 1.071 7.686 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.826 0.688 6.541 1.00 0.00 H new ATOM 1055 N LYS A 65 3.100 -3.675 10.327 1.00 0.00 N ATOM 1056 CA LYS A 65 3.725 -4.337 11.468 1.00 0.00 C ATOM 1057 C LYS A 65 3.541 -5.847 11.369 1.00 0.00 C ATOM 1058 O LYS A 65 4.392 -6.620 11.800 1.00 0.00 O ATOM 1059 CB LYS A 65 3.083 -3.811 12.752 1.00 0.00 C ATOM 1060 CG LYS A 65 3.816 -4.159 14.031 1.00 0.00 C ATOM 1061 CD LYS A 65 3.088 -3.577 15.232 1.00 0.00 C ATOM 1062 CE LYS A 65 3.893 -3.723 16.510 1.00 0.00 C ATOM 1063 NZ LYS A 65 5.131 -2.898 16.484 1.00 0.00 N ATOM 0 H LYS A 65 2.333 -3.054 10.585 1.00 0.00 H new ATOM 0 HA LYS A 65 4.794 -4.124 11.475 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.004 -2.726 12.681 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.067 -4.201 12.817 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.891 -5.242 14.132 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.834 -3.772 13.992 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.879 -2.522 15.053 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.126 -4.076 15.350 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.279 -3.429 17.361 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.158 -4.770 16.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.508 -2.807 17.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.841 -3.356 15.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.911 -1.954 16.107 1.00 0.00 H new ATOM 1077 N LYS A 66 2.413 -6.248 10.800 1.00 0.00 N ATOM 1078 CA LYS A 66 2.127 -7.649 10.529 1.00 0.00 C ATOM 1079 C LYS A 66 3.158 -8.224 9.563 1.00 0.00 C ATOM 1080 O LYS A 66 3.574 -9.376 9.695 1.00 0.00 O ATOM 1081 CB LYS A 66 0.708 -7.783 9.958 1.00 0.00 C ATOM 1082 CG LYS A 66 0.387 -9.144 9.358 1.00 0.00 C ATOM 1083 CD LYS A 66 0.135 -9.036 7.858 1.00 0.00 C ATOM 1084 CE LYS A 66 -1.076 -8.163 7.550 1.00 0.00 C ATOM 1085 NZ LYS A 66 -2.355 -8.814 7.944 1.00 0.00 N ATOM 0 H LYS A 66 1.670 -5.611 10.513 1.00 0.00 H new ATOM 0 HA LYS A 66 2.186 -8.215 11.459 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.009 -7.573 10.752 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.567 -7.021 9.191 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.213 -9.831 9.543 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.492 -9.563 9.848 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.017 -8.620 7.370 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.019 -10.032 7.443 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.978 -7.212 8.074 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.098 -7.939 6.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.142 -8.151 7.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.504 -9.665 7.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.314 -9.081 8.948 1.00 0.00 H new ATOM 1099 N ILE A 67 3.573 -7.412 8.599 1.00 0.00 N ATOM 1100 CA ILE A 67 4.604 -7.818 7.654 1.00 0.00 C ATOM 1101 C ILE A 67 5.977 -7.816 8.330 1.00 0.00 C ATOM 1102 O ILE A 67 6.807 -8.690 8.076 1.00 0.00 O ATOM 1103 CB ILE A 67 4.628 -6.902 6.414 1.00 0.00 C ATOM 1104 CG1 ILE A 67 3.231 -6.824 5.798 1.00 0.00 C ATOM 1105 CG2 ILE A 67 5.630 -7.423 5.389 1.00 0.00 C ATOM 1106 CD1 ILE A 67 3.110 -5.804 4.688 1.00 0.00 C ATOM 0 H ILE A 67 3.212 -6.470 8.451 1.00 0.00 H new ATOM 0 HA ILE A 67 4.367 -8.829 7.323 1.00 0.00 H new ATOM 0 HB ILE A 67 4.936 -5.902 6.720 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.961 -7.805 5.408 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.512 -6.583 6.581 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.636 -6.766 4.519 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.625 -7.446 5.833 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.346 -8.429 5.082 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.091 -5.807 4.301 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.348 -4.814 5.076 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.804 -6.055 3.886 1.00 0.00 H new ATOM 1118 N GLU A 68 6.207 -6.841 9.206 1.00 0.00 N ATOM 1119 CA GLU A 68 7.437 -6.801 9.998 1.00 0.00 C ATOM 1120 C GLU A 68 7.526 -8.046 10.876 1.00 0.00 C ATOM 1121 O GLU A 68 8.583 -8.667 11.006 1.00 0.00 O ATOM 1122 CB GLU A 68 7.477 -5.551 10.881 1.00 0.00 C ATOM 1123 CG GLU A 68 7.298 -4.249 10.119 1.00 0.00 C ATOM 1124 CD GLU A 68 7.406 -3.032 11.016 1.00 0.00 C ATOM 1125 OE1 GLU A 68 6.655 -2.946 12.009 1.00 0.00 O ATOM 1126 OE2 GLU A 68 8.253 -2.157 10.734 1.00 0.00 O ATOM 0 H GLU A 68 5.563 -6.071 9.386 1.00 0.00 H new ATOM 0 HA GLU A 68 8.284 -6.771 9.313 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.695 -5.628 11.637 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.430 -5.523 11.409 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.051 -4.185 9.333 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.325 -4.250 9.629 1.00 0.00 H new ATOM 1133 N LYS A 69 6.395 -8.400 11.468 1.00 0.00 N ATOM 1134 CA LYS A 69 6.279 -9.590 12.299 1.00 0.00 C ATOM 1135 C LYS A 69 6.444 -10.853 11.457 1.00 0.00 C ATOM 1136 O LYS A 69 6.848 -11.905 11.956 1.00 0.00 O ATOM 1137 CB LYS A 69 4.913 -9.594 12.993 1.00 0.00 C ATOM 1138 CG LYS A 69 4.688 -10.786 13.906 1.00 0.00 C ATOM 1139 CD LYS A 69 3.285 -10.797 14.489 1.00 0.00 C ATOM 1140 CE LYS A 69 3.049 -12.036 15.338 1.00 0.00 C ATOM 1141 NZ LYS A 69 3.184 -13.285 14.542 1.00 0.00 N ATOM 0 H LYS A 69 5.528 -7.868 11.385 1.00 0.00 H new ATOM 0 HA LYS A 69 7.069 -9.576 13.050 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.810 -8.679 13.576 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.131 -9.578 12.234 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.856 -11.707 13.348 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.417 -10.766 14.716 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.134 -9.904 15.095 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.553 -10.762 13.682 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.761 -12.052 16.163 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.053 -11.991 15.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.730 -14.071 15.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.724 -13.159 13.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.192 -13.500 14.401 1.00 0.00 H new ATOM 1155 N LEU A 70 6.138 -10.731 10.173 1.00 0.00 N ATOM 1156 CA LEU A 70 6.214 -11.855 9.254 1.00 0.00 C ATOM 1157 C LEU A 70 7.669 -12.265 9.036 1.00 0.00 C ATOM 1158 O LEU A 70 7.967 -13.429 8.768 1.00 0.00 O ATOM 1159 CB LEU A 70 5.562 -11.481 7.921 1.00 0.00 C ATOM 1160 CG LEU A 70 5.356 -12.638 6.946 1.00 0.00 C ATOM 1161 CD1 LEU A 70 4.335 -13.619 7.497 1.00 0.00 C ATOM 1162 CD2 LEU A 70 4.920 -12.116 5.587 1.00 0.00 C ATOM 0 H LEU A 70 5.833 -9.858 9.743 1.00 0.00 H new ATOM 0 HA LEU A 70 5.678 -12.701 9.685 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.594 -11.023 8.125 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.177 -10.723 7.435 1.00 0.00 H new ATOM 0 HG LEU A 70 6.304 -13.162 6.823 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.199 -14.438 6.791 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.688 -14.016 8.449 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.384 -13.108 7.647 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.778 -12.954 4.904 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.983 -11.569 5.691 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.686 -11.450 5.190 1.00 0.00 H new ATOM 1174 N GLY A 71 8.570 -11.299 9.154 1.00 0.00 N ATOM 1175 CA GLY A 71 9.984 -11.580 9.014 1.00 0.00 C ATOM 1176 C GLY A 71 10.583 -10.897 7.806 1.00 0.00 C ATOM 1177 O GLY A 71 11.772 -10.582 7.788 1.00 0.00 O ATOM 0 H GLY A 71 8.345 -10.323 9.345 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.509 -11.253 9.912 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.133 -12.657 8.932 1.00 0.00 H new ATOM 1181 N TYR A 72 9.758 -10.654 6.800 1.00 0.00 N ATOM 1182 CA TYR A 72 10.221 -10.025 5.570 1.00 0.00 C ATOM 1183 C TYR A 72 10.306 -8.514 5.731 1.00 0.00 C ATOM 1184 O TYR A 72 9.350 -7.789 5.446 1.00 0.00 O ATOM 1185 CB TYR A 72 9.304 -10.374 4.396 1.00 0.00 C ATOM 1186 CG TYR A 72 9.328 -11.836 4.013 1.00 0.00 C ATOM 1187 CD1 TYR A 72 10.373 -12.358 3.261 1.00 0.00 C ATOM 1188 CD2 TYR A 72 8.305 -12.692 4.399 1.00 0.00 C ATOM 1189 CE1 TYR A 72 10.399 -13.692 2.907 1.00 0.00 C ATOM 1190 CE2 TYR A 72 8.325 -14.027 4.048 1.00 0.00 C ATOM 1191 CZ TYR A 72 9.373 -14.522 3.303 1.00 0.00 C ATOM 1192 OH TYR A 72 9.396 -15.851 2.954 1.00 0.00 O ATOM 0 H TYR A 72 8.764 -10.882 6.810 1.00 0.00 H new ATOM 0 HA TYR A 72 11.218 -10.411 5.358 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.282 -10.092 4.650 1.00 0.00 H new ATOM 0 HB3 TYR A 72 9.594 -9.777 3.531 1.00 0.00 H new ATOM 0 HD1 TYR A 72 11.178 -11.710 2.948 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.481 -12.308 4.982 1.00 0.00 H new ATOM 0 HE1 TYR A 72 11.219 -14.083 2.323 1.00 0.00 H new ATOM 0 HE2 TYR A 72 7.522 -14.681 4.356 1.00 0.00 H new ATOM 0 HH TYR A 72 8.600 -16.297 3.312 1.00 0.00 H new ATOM 1202 N LEU A 73 11.454 -8.043 6.194 1.00 0.00 N ATOM 1203 CA LEU A 73 11.656 -6.621 6.416 1.00 0.00 C ATOM 1204 C LEU A 73 11.728 -5.870 5.094 1.00 0.00 C ATOM 1205 O LEU A 73 11.276 -4.731 4.998 1.00 0.00 O ATOM 1206 CB LEU A 73 12.918 -6.371 7.242 1.00 0.00 C ATOM 1207 CG LEU A 73 12.883 -6.928 8.666 1.00 0.00 C ATOM 1208 CD1 LEU A 73 14.157 -6.571 9.413 1.00 0.00 C ATOM 1209 CD2 LEU A 73 11.669 -6.403 9.414 1.00 0.00 C ATOM 0 H LEU A 73 12.259 -8.625 6.423 1.00 0.00 H new ATOM 0 HA LEU A 73 10.800 -6.246 6.977 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.768 -6.808 6.719 1.00 0.00 H new ATOM 0 HB3 LEU A 73 13.093 -5.296 7.293 1.00 0.00 H new ATOM 0 HG LEU A 73 12.811 -8.014 8.605 1.00 0.00 H new ATOM 0 HD11 LEU A 73 14.112 -6.977 10.424 1.00 0.00 H new ATOM 0 HD12 LEU A 73 15.016 -6.993 8.891 1.00 0.00 H new ATOM 0 HD13 LEU A 73 14.259 -5.487 9.461 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.661 -6.810 10.425 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.713 -5.315 9.461 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.761 -6.707 8.893 1.00 0.00 H new ATOM 1221 N GLU A 74 12.282 -6.515 4.069 1.00 0.00 N ATOM 1222 CA GLU A 74 12.351 -5.905 2.746 1.00 0.00 C ATOM 1223 C GLU A 74 10.952 -5.693 2.183 1.00 0.00 C ATOM 1224 O GLU A 74 10.664 -4.653 1.593 1.00 0.00 O ATOM 1225 CB GLU A 74 13.179 -6.752 1.779 1.00 0.00 C ATOM 1226 CG GLU A 74 14.666 -6.739 2.083 1.00 0.00 C ATOM 1227 CD GLU A 74 15.485 -7.360 0.973 1.00 0.00 C ATOM 1228 OE1 GLU A 74 15.386 -8.588 0.765 1.00 0.00 O ATOM 1229 OE2 GLU A 74 16.229 -6.622 0.294 1.00 0.00 O ATOM 0 H GLU A 74 12.685 -7.450 4.129 1.00 0.00 H new ATOM 0 HA GLU A 74 12.843 -4.939 2.856 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.819 -7.780 1.810 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.021 -6.389 0.764 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.993 -5.711 2.241 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.849 -7.279 3.012 1.00 0.00 H new ATOM 1236 N ILE A 75 10.081 -6.671 2.388 1.00 0.00 N ATOM 1237 CA ILE A 75 8.708 -6.568 1.921 1.00 0.00 C ATOM 1238 C ILE A 75 7.952 -5.518 2.729 1.00 0.00 C ATOM 1239 O ILE A 75 7.175 -4.746 2.174 1.00 0.00 O ATOM 1240 CB ILE A 75 7.973 -7.925 1.983 1.00 0.00 C ATOM 1241 CG1 ILE A 75 8.657 -8.933 1.051 1.00 0.00 C ATOM 1242 CG2 ILE A 75 6.502 -7.763 1.610 1.00 0.00 C ATOM 1243 CD1 ILE A 75 7.964 -10.276 0.988 1.00 0.00 C ATOM 0 H ILE A 75 10.301 -7.541 2.873 1.00 0.00 H new ATOM 0 HA ILE A 75 8.740 -6.262 0.875 1.00 0.00 H new ATOM 0 HB ILE A 75 8.021 -8.300 3.005 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.703 -8.511 0.047 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.685 -9.080 1.383 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.005 -8.732 1.661 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.024 -7.073 2.306 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.425 -7.368 0.597 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.507 -10.934 0.309 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.941 -10.721 1.983 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.944 -10.143 0.626 1.00 0.00 H new ATOM 1255 N ALA A 76 8.212 -5.472 4.034 1.00 0.00 N ATOM 1256 CA ALA A 76 7.606 -4.465 4.901 1.00 0.00 C ATOM 1257 C ALA A 76 7.956 -3.061 4.420 1.00 0.00 C ATOM 1258 O ALA A 76 7.089 -2.190 4.320 1.00 0.00 O ATOM 1259 CB ALA A 76 8.061 -4.659 6.340 1.00 0.00 C ATOM 0 H ALA A 76 8.837 -6.120 4.513 1.00 0.00 H new ATOM 0 HA ALA A 76 6.523 -4.584 4.859 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.600 -3.900 6.973 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.764 -5.649 6.685 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.146 -4.567 6.394 1.00 0.00 H new ATOM 1265 N MET A 77 9.234 -2.852 4.110 1.00 0.00 N ATOM 1266 CA MET A 77 9.695 -1.570 3.586 1.00 0.00 C ATOM 1267 C MET A 77 9.083 -1.300 2.216 1.00 0.00 C ATOM 1268 O MET A 77 8.630 -0.188 1.942 1.00 0.00 O ATOM 1269 CB MET A 77 11.223 -1.531 3.491 1.00 0.00 C ATOM 1270 CG MET A 77 11.925 -1.613 4.837 1.00 0.00 C ATOM 1271 SD MET A 77 13.718 -1.457 4.701 1.00 0.00 S ATOM 1272 CE MET A 77 14.109 -2.869 3.668 1.00 0.00 C ATOM 0 H MET A 77 9.967 -3.554 4.213 1.00 0.00 H new ATOM 0 HA MET A 77 9.372 -0.792 4.278 1.00 0.00 H new ATOM 0 HB2 MET A 77 11.560 -2.358 2.865 1.00 0.00 H new ATOM 0 HB3 MET A 77 11.523 -0.610 2.991 1.00 0.00 H new ATOM 0 HG2 MET A 77 11.545 -0.826 5.489 1.00 0.00 H new ATOM 0 HG3 MET A 77 11.682 -2.564 5.311 1.00 0.00 H new ATOM 0 HE1 MET A 77 15.189 -2.938 3.539 1.00 0.00 H new ATOM 0 HE2 MET A 77 13.741 -3.779 4.142 1.00 0.00 H new ATOM 0 HE3 MET A 77 13.634 -2.750 2.694 1.00 0.00 H new ATOM 1282 N ARG A 78 9.066 -2.325 1.368 1.00 0.00 N ATOM 1283 CA ARG A 78 8.472 -2.218 0.039 1.00 0.00 C ATOM 1284 C ARG A 78 7.010 -1.794 0.124 1.00 0.00 C ATOM 1285 O ARG A 78 6.611 -0.797 -0.481 1.00 0.00 O ATOM 1286 CB ARG A 78 8.575 -3.547 -0.715 1.00 0.00 C ATOM 1287 CG ARG A 78 9.912 -3.774 -1.401 1.00 0.00 C ATOM 1288 CD ARG A 78 9.888 -5.051 -2.227 1.00 0.00 C ATOM 1289 NE ARG A 78 10.980 -5.108 -3.199 1.00 0.00 N ATOM 1290 CZ ARG A 78 10.920 -5.801 -4.338 1.00 0.00 C ATOM 1291 NH1 ARG A 78 9.840 -6.518 -4.631 1.00 0.00 N ATOM 1292 NH2 ARG A 78 11.936 -5.777 -5.189 1.00 0.00 N ATOM 0 H ARG A 78 9.459 -3.242 1.579 1.00 0.00 H new ATOM 0 HA ARG A 78 9.029 -1.456 -0.506 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.396 -4.363 -0.015 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.784 -3.589 -1.464 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.144 -2.925 -2.044 1.00 0.00 H new ATOM 0 HG3 ARG A 78 10.703 -3.834 -0.654 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.952 -5.912 -1.562 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.935 -5.124 -2.751 1.00 0.00 H new ATOM 0 HE ARG A 78 11.834 -4.589 -2.995 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.052 -6.540 -3.984 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.799 -7.046 -5.503 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.768 -5.227 -4.975 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.886 -6.308 -6.058 1.00 0.00 H new ATOM 1306 N VAL A 79 6.225 -2.547 0.887 1.00 0.00 N ATOM 1307 CA VAL A 79 4.797 -2.290 1.015 1.00 0.00 C ATOM 1308 C VAL A 79 4.532 -0.902 1.593 1.00 0.00 C ATOM 1309 O VAL A 79 3.602 -0.218 1.168 1.00 0.00 O ATOM 1310 CB VAL A 79 4.107 -3.366 1.883 1.00 0.00 C ATOM 1311 CG1 VAL A 79 2.652 -3.013 2.150 1.00 0.00 C ATOM 1312 CG2 VAL A 79 4.200 -4.727 1.210 1.00 0.00 C ATOM 0 H VAL A 79 6.557 -3.345 1.429 1.00 0.00 H new ATOM 0 HA VAL A 79 4.373 -2.333 0.012 1.00 0.00 H new ATOM 0 HB VAL A 79 4.626 -3.405 2.841 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.196 -3.790 2.763 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.599 -2.059 2.675 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.117 -2.936 1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.710 -5.475 1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.709 -4.686 0.238 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.248 -4.996 1.077 1.00 0.00 H new ATOM 1322 N LYS A 80 5.364 -0.478 2.540 1.00 0.00 N ATOM 1323 CA LYS A 80 5.210 0.843 3.138 1.00 0.00 C ATOM 1324 C LYS A 80 5.399 1.931 2.084 1.00 0.00 C ATOM 1325 O LYS A 80 4.680 2.928 2.076 1.00 0.00 O ATOM 1326 CB LYS A 80 6.200 1.048 4.290 1.00 0.00 C ATOM 1327 CG LYS A 80 5.975 2.348 5.053 1.00 0.00 C ATOM 1328 CD LYS A 80 6.948 2.506 6.211 1.00 0.00 C ATOM 1329 CE LYS A 80 6.798 1.383 7.229 1.00 0.00 C ATOM 1330 NZ LYS A 80 7.748 1.530 8.362 1.00 0.00 N ATOM 0 H LYS A 80 6.144 -1.024 2.906 1.00 0.00 H new ATOM 0 HA LYS A 80 4.199 0.912 3.541 1.00 0.00 H new ATOM 0 HB2 LYS A 80 6.120 0.210 4.982 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.215 1.038 3.894 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.083 3.192 4.371 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.953 2.373 5.432 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.969 2.518 5.830 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.779 3.466 6.700 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.777 1.373 7.611 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.964 0.424 6.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.613 0.746 9.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.723 1.514 8.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.573 2.433 8.847 1.00 0.00 H new ATOM 1344 N GLN A 81 6.354 1.724 1.182 1.00 0.00 N ATOM 1345 CA GLN A 81 6.609 2.681 0.113 1.00 0.00 C ATOM 1346 C GLN A 81 5.466 2.679 -0.895 1.00 0.00 C ATOM 1347 O GLN A 81 5.014 3.739 -1.333 1.00 0.00 O ATOM 1348 CB GLN A 81 7.935 2.377 -0.585 1.00 0.00 C ATOM 1349 CG GLN A 81 9.147 2.580 0.309 1.00 0.00 C ATOM 1350 CD GLN A 81 9.255 3.998 0.846 1.00 0.00 C ATOM 1351 OE1 GLN A 81 8.828 4.957 0.204 1.00 0.00 O ATOM 1352 NE2 GLN A 81 9.825 4.137 2.032 1.00 0.00 N ATOM 0 H GLN A 81 6.962 0.905 1.171 1.00 0.00 H new ATOM 0 HA GLN A 81 6.676 3.674 0.558 1.00 0.00 H new ATOM 0 HB2 GLN A 81 7.923 1.346 -0.940 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.030 3.015 -1.464 1.00 0.00 H new ATOM 0 HG2 GLN A 81 9.096 1.883 1.145 1.00 0.00 H new ATOM 0 HG3 GLN A 81 10.050 2.339 -0.252 1.00 0.00 H new ATOM 0 HE21 GLN A 81 10.166 3.317 2.533 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.923 5.064 2.445 1.00 0.00 H new ATOM 1361 N TYR A 82 4.994 1.484 -1.256 1.00 0.00 N ATOM 1362 CA TYR A 82 3.829 1.356 -2.123 1.00 0.00 C ATOM 1363 C TYR A 82 2.645 2.087 -1.502 1.00 0.00 C ATOM 1364 O TYR A 82 1.965 2.872 -2.164 1.00 0.00 O ATOM 1365 CB TYR A 82 3.451 -0.116 -2.339 1.00 0.00 C ATOM 1366 CG TYR A 82 4.555 -0.980 -2.915 1.00 0.00 C ATOM 1367 CD1 TYR A 82 5.450 -0.481 -3.854 1.00 0.00 C ATOM 1368 CD2 TYR A 82 4.699 -2.303 -2.513 1.00 0.00 C ATOM 1369 CE1 TYR A 82 6.455 -1.276 -4.376 1.00 0.00 C ATOM 1370 CE2 TYR A 82 5.700 -3.104 -3.030 1.00 0.00 C ATOM 1371 CZ TYR A 82 6.576 -2.587 -3.960 1.00 0.00 C ATOM 1372 OH TYR A 82 7.569 -3.386 -4.481 1.00 0.00 O ATOM 0 H TYR A 82 5.401 0.597 -0.961 1.00 0.00 H new ATOM 0 HA TYR A 82 4.080 1.795 -3.089 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.138 -0.540 -1.385 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.589 -0.161 -3.005 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.360 0.544 -4.182 1.00 0.00 H new ATOM 0 HD2 TYR A 82 4.016 -2.713 -1.783 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.142 -0.873 -5.106 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.795 -4.130 -2.707 1.00 0.00 H new ATOM 0 HH TYR A 82 7.181 -4.233 -4.786 1.00 0.00 H new ATOM 1382 N ALA A 83 2.426 1.834 -0.215 1.00 0.00 N ATOM 1383 CA ALA A 83 1.338 2.456 0.525 1.00 0.00 C ATOM 1384 C ALA A 83 1.487 3.970 0.557 1.00 0.00 C ATOM 1385 O ALA A 83 0.515 4.688 0.366 1.00 0.00 O ATOM 1386 CB ALA A 83 1.277 1.903 1.940 1.00 0.00 C ATOM 0 H ALA A 83 2.996 1.195 0.340 1.00 0.00 H new ATOM 0 HA ALA A 83 0.406 2.220 0.012 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.458 2.378 2.481 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.111 0.826 1.903 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.217 2.108 2.452 1.00 0.00 H new ATOM 1392 N THR A 84 2.705 4.447 0.791 1.00 0.00 N ATOM 1393 CA THR A 84 2.973 5.881 0.842 1.00 0.00 C ATOM 1394 C THR A 84 2.567 6.562 -0.466 1.00 0.00 C ATOM 1395 O THR A 84 1.973 7.645 -0.456 1.00 0.00 O ATOM 1396 CB THR A 84 4.461 6.160 1.141 1.00 0.00 C ATOM 1397 OG1 THR A 84 4.821 5.559 2.392 1.00 0.00 O ATOM 1398 CG2 THR A 84 4.739 7.656 1.201 1.00 0.00 C ATOM 0 H THR A 84 3.524 3.860 0.949 1.00 0.00 H new ATOM 0 HA THR A 84 2.373 6.296 1.652 1.00 0.00 H new ATOM 0 HB THR A 84 5.056 5.731 0.335 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.793 4.583 2.306 1.00 0.00 H new ATOM 0 HG21 THR A 84 5.795 7.822 1.413 1.00 0.00 H new ATOM 0 HG22 THR A 84 4.485 8.112 0.244 1.00 0.00 H new ATOM 0 HG23 THR A 84 4.136 8.107 1.989 1.00 0.00 H new ATOM 1406 N ALA A 85 2.861 5.909 -1.586 1.00 0.00 N ATOM 1407 CA ALA A 85 2.475 6.424 -2.893 1.00 0.00 C ATOM 1408 C ALA A 85 0.958 6.464 -3.025 1.00 0.00 C ATOM 1409 O ALA A 85 0.393 7.431 -3.542 1.00 0.00 O ATOM 1410 CB ALA A 85 3.089 5.579 -4.000 1.00 0.00 C ATOM 0 H ALA A 85 3.365 5.023 -1.614 1.00 0.00 H new ATOM 0 HA ALA A 85 2.853 7.442 -2.989 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.791 5.977 -4.970 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.176 5.604 -3.916 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.741 4.550 -3.908 1.00 0.00 H new ATOM 1416 N ILE A 86 0.303 5.414 -2.540 1.00 0.00 N ATOM 1417 CA ILE A 86 -1.154 5.350 -2.542 1.00 0.00 C ATOM 1418 C ILE A 86 -1.735 6.421 -1.621 1.00 0.00 C ATOM 1419 O ILE A 86 -2.731 7.060 -1.945 1.00 0.00 O ATOM 1420 CB ILE A 86 -1.666 3.961 -2.091 1.00 0.00 C ATOM 1421 CG1 ILE A 86 -1.060 2.859 -2.963 1.00 0.00 C ATOM 1422 CG2 ILE A 86 -3.189 3.904 -2.148 1.00 0.00 C ATOM 1423 CD1 ILE A 86 -1.418 1.455 -2.517 1.00 0.00 C ATOM 0 H ILE A 86 0.759 4.594 -2.140 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.483 5.524 -3.566 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.354 3.800 -1.059 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.393 2.999 -3.991 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.025 2.964 -2.962 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.529 2.919 -1.827 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.607 4.665 -1.488 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.522 4.087 -3.170 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.951 0.731 -3.185 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.060 1.294 -1.500 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.500 1.329 -2.545 1.00 0.00 H new ATOM 1435 N MET A 87 -1.093 6.619 -0.477 1.00 0.00 N ATOM 1436 CA MET A 87 -1.529 7.618 0.490 1.00 0.00 C ATOM 1437 C MET A 87 -1.434 9.017 -0.102 1.00 0.00 C ATOM 1438 O MET A 87 -2.290 9.858 0.148 1.00 0.00 O ATOM 1439 CB MET A 87 -0.696 7.536 1.771 1.00 0.00 C ATOM 1440 CG MET A 87 -0.857 6.228 2.523 1.00 0.00 C ATOM 1441 SD MET A 87 0.236 6.109 3.950 1.00 0.00 S ATOM 1442 CE MET A 87 -0.075 4.417 4.447 1.00 0.00 C ATOM 0 H MET A 87 -0.263 6.097 -0.195 1.00 0.00 H new ATOM 0 HA MET A 87 -2.570 7.411 0.738 1.00 0.00 H new ATOM 0 HB2 MET A 87 0.356 7.672 1.519 1.00 0.00 H new ATOM 0 HB3 MET A 87 -0.976 8.359 2.428 1.00 0.00 H new ATOM 0 HG2 MET A 87 -1.891 6.128 2.853 1.00 0.00 H new ATOM 0 HG3 MET A 87 -0.657 5.397 1.846 1.00 0.00 H new ATOM 0 HE1 MET A 87 0.040 4.328 5.527 1.00 0.00 H new ATOM 0 HE2 MET A 87 -1.090 4.136 4.165 1.00 0.00 H new ATOM 0 HE3 MET A 87 0.636 3.756 3.951 1.00 0.00 H new ATOM 1452 N ARG A 88 -0.396 9.259 -0.897 1.00 0.00 N ATOM 1453 CA ARG A 88 -0.247 10.544 -1.572 1.00 0.00 C ATOM 1454 C ARG A 88 -1.401 10.752 -2.545 1.00 0.00 C ATOM 1455 O ARG A 88 -1.954 11.848 -2.653 1.00 0.00 O ATOM 1456 CB ARG A 88 1.089 10.618 -2.315 1.00 0.00 C ATOM 1457 CG ARG A 88 1.338 11.964 -2.976 1.00 0.00 C ATOM 1458 CD ARG A 88 2.660 11.993 -3.723 1.00 0.00 C ATOM 1459 NE ARG A 88 2.886 13.286 -4.363 1.00 0.00 N ATOM 1460 CZ ARG A 88 3.646 13.468 -5.441 1.00 0.00 C ATOM 1461 NH1 ARG A 88 4.300 12.450 -5.989 1.00 0.00 N ATOM 1462 NH2 ARG A 88 3.762 14.677 -5.966 1.00 0.00 N ATOM 0 H ARG A 88 0.349 8.589 -1.089 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.262 11.334 -0.821 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.898 10.410 -1.615 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.117 9.837 -3.075 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.525 12.184 -3.668 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.332 12.747 -2.218 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.475 11.781 -3.031 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.670 11.206 -4.477 1.00 0.00 H new ATOM 0 HE ARG A 88 2.431 14.104 -3.957 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.223 11.517 -5.584 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.879 12.601 -6.815 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.270 15.465 -5.545 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.343 14.821 -6.792 1.00 0.00 H new ATOM 1476 N TYR A 89 -1.770 9.682 -3.233 1.00 0.00 N ATOM 1477 CA TYR A 89 -2.916 9.699 -4.127 1.00 0.00 C ATOM 1478 C TYR A 89 -4.197 9.930 -3.325 1.00 0.00 C ATOM 1479 O TYR A 89 -5.080 10.673 -3.747 1.00 0.00 O ATOM 1480 CB TYR A 89 -2.979 8.379 -4.907 1.00 0.00 C ATOM 1481 CG TYR A 89 -4.174 8.249 -5.824 1.00 0.00 C ATOM 1482 CD1 TYR A 89 -4.369 9.129 -6.880 1.00 0.00 C ATOM 1483 CD2 TYR A 89 -5.111 7.243 -5.627 1.00 0.00 C ATOM 1484 CE1 TYR A 89 -5.464 9.009 -7.715 1.00 0.00 C ATOM 1485 CE2 TYR A 89 -6.207 7.117 -6.455 1.00 0.00 C ATOM 1486 CZ TYR A 89 -6.381 8.002 -7.497 1.00 0.00 C ATOM 1487 OH TYR A 89 -7.480 7.882 -8.318 1.00 0.00 O ATOM 0 H TYR A 89 -1.287 8.785 -3.188 1.00 0.00 H new ATOM 0 HA TYR A 89 -2.813 10.515 -4.842 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.070 8.278 -5.499 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -2.990 7.552 -4.197 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.654 9.920 -7.052 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.979 6.547 -4.811 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -5.601 9.700 -8.534 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.926 6.328 -6.287 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.024 7.121 -8.027 1.00 0.00 H new ATOM 1497 N ALA A 90 -4.266 9.307 -2.150 1.00 0.00 N ATOM 1498 CA ALA A 90 -5.393 9.474 -1.238 1.00 0.00 C ATOM 1499 C ALA A 90 -5.518 10.924 -0.773 1.00 0.00 C ATOM 1500 O ALA A 90 -6.622 11.424 -0.570 1.00 0.00 O ATOM 1501 CB ALA A 90 -5.240 8.549 -0.039 1.00 0.00 C ATOM 0 H ALA A 90 -3.544 8.674 -1.805 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.304 9.213 -1.776 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.087 8.683 0.634 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.207 7.514 -0.380 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.316 8.787 0.488 1.00 0.00 H new ATOM 1507 N VAL A 91 -4.382 11.593 -0.596 1.00 0.00 N ATOM 1508 CA VAL A 91 -4.377 13.001 -0.210 1.00 0.00 C ATOM 1509 C VAL A 91 -4.948 13.862 -1.333 1.00 0.00 C ATOM 1510 O VAL A 91 -5.740 14.770 -1.094 1.00 0.00 O ATOM 1511 CB VAL A 91 -2.957 13.499 0.152 1.00 0.00 C ATOM 1512 CG1 VAL A 91 -2.966 14.982 0.500 1.00 0.00 C ATOM 1513 CG2 VAL A 91 -2.384 12.690 1.303 1.00 0.00 C ATOM 0 H VAL A 91 -3.455 11.184 -0.713 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.003 13.092 0.678 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.322 13.360 -0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.955 15.303 0.750 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.328 15.554 -0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.622 15.151 1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.385 13.055 1.543 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.028 12.794 2.177 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.327 11.640 1.017 1.00 0.00 H new ATOM 1523 N GLN A 92 -4.557 13.554 -2.566 1.00 0.00 N ATOM 1524 CA GLN A 92 -5.047 14.285 -3.730 1.00 0.00 C ATOM 1525 C GLN A 92 -6.525 13.985 -3.969 1.00 0.00 C ATOM 1526 O GLN A 92 -7.266 14.821 -4.486 1.00 0.00 O ATOM 1527 CB GLN A 92 -4.234 13.914 -4.971 1.00 0.00 C ATOM 1528 CG GLN A 92 -2.756 14.253 -4.855 1.00 0.00 C ATOM 1529 CD GLN A 92 -1.961 13.846 -6.082 1.00 0.00 C ATOM 1530 OE1 GLN A 92 -2.396 12.789 -6.754 1.00 0.00 O flip ATOM 1531 NE2 GLN A 92 -0.963 14.474 -6.426 1.00 0.00 N flip ATOM 0 H GLN A 92 -3.902 12.803 -2.785 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.933 15.352 -3.537 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -4.339 12.845 -5.158 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -4.650 14.431 -5.836 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -2.645 15.326 -4.695 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -2.342 13.756 -3.978 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.658 15.283 -5.885 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -0.440 14.187 -7.253 1.00 0.00 H new ATOM 1540 N GLN A 93 -6.942 12.786 -3.585 1.00 0.00 N ATOM 1541 CA GLN A 93 -8.332 12.371 -3.716 1.00 0.00 C ATOM 1542 C GLN A 93 -9.130 12.835 -2.494 1.00 0.00 C ATOM 1543 O GLN A 93 -10.332 12.589 -2.389 1.00 0.00 O ATOM 1544 CB GLN A 93 -8.398 10.847 -3.881 1.00 0.00 C ATOM 1545 CG GLN A 93 -9.758 10.308 -4.299 1.00 0.00 C ATOM 1546 CD GLN A 93 -9.693 8.844 -4.694 1.00 0.00 C ATOM 1547 OE1 GLN A 93 -8.682 8.377 -5.207 1.00 0.00 O ATOM 1548 NE2 GLN A 93 -10.769 8.112 -4.470 1.00 0.00 N ATOM 0 H GLN A 93 -6.331 12.078 -3.177 1.00 0.00 H new ATOM 0 HA GLN A 93 -8.774 12.830 -4.600 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -7.659 10.544 -4.623 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -8.113 10.381 -2.938 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -10.464 10.431 -3.478 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -10.138 10.893 -5.137 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -11.593 8.534 -4.041 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -10.776 7.125 -4.726 1.00 0.00 H new ATOM 1557 N LYS A 94 -8.431 13.508 -1.573 1.00 0.00 N ATOM 1558 CA LYS A 94 -9.045 14.109 -0.386 1.00 0.00 C ATOM 1559 C LYS A 94 -9.699 13.052 0.498 1.00 0.00 C ATOM 1560 O LYS A 94 -10.686 13.308 1.191 1.00 0.00 O ATOM 1561 CB LYS A 94 -10.043 15.191 -0.804 1.00 0.00 C ATOM 1562 CG LYS A 94 -9.365 16.344 -1.529 1.00 0.00 C ATOM 1563 CD LYS A 94 -10.341 17.422 -1.959 1.00 0.00 C ATOM 1564 CE LYS A 94 -9.603 18.562 -2.643 1.00 0.00 C ATOM 1565 NZ LYS A 94 -10.515 19.650 -3.074 1.00 0.00 N ATOM 0 H LYS A 94 -7.423 13.651 -1.631 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.262 14.578 0.210 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.803 14.753 -1.451 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -10.557 15.570 0.079 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.610 16.783 -0.877 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.845 15.960 -2.407 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -11.082 17.001 -2.638 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.882 17.799 -1.091 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.855 18.967 -1.961 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.068 18.176 -3.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -9.964 20.403 -3.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.213 19.272 -3.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.007 20.039 -2.245 1.00 0.00 H new ATOM 1579 N MET A 95 -9.107 11.869 0.489 1.00 0.00 N ATOM 1580 CA MET A 95 -9.564 10.763 1.310 1.00 0.00 C ATOM 1581 C MET A 95 -9.064 10.928 2.738 1.00 0.00 C ATOM 1582 O MET A 95 -9.800 10.700 3.700 1.00 0.00 O ATOM 1583 CB MET A 95 -9.049 9.449 0.727 1.00 0.00 C ATOM 1584 CG MET A 95 -9.599 9.135 -0.652 1.00 0.00 C ATOM 1585 SD MET A 95 -8.574 7.962 -1.557 1.00 0.00 S ATOM 1586 CE MET A 95 -8.400 6.642 -0.361 1.00 0.00 C ATOM 0 H MET A 95 -8.295 11.650 -0.089 1.00 0.00 H new ATOM 0 HA MET A 95 -10.654 10.752 1.320 1.00 0.00 H new ATOM 0 HB2 MET A 95 -7.961 9.487 0.674 1.00 0.00 H new ATOM 0 HB3 MET A 95 -9.307 8.635 1.405 1.00 0.00 H new ATOM 0 HG2 MET A 95 -10.607 8.731 -0.554 1.00 0.00 H new ATOM 0 HG3 MET A 95 -9.680 10.058 -1.225 1.00 0.00 H new ATOM 0 HE1 MET A 95 -8.147 5.715 -0.876 1.00 0.00 H new ATOM 0 HE2 MET A 95 -7.608 6.893 0.345 1.00 0.00 H new ATOM 0 HE3 MET A 95 -9.339 6.513 0.178 1.00 0.00 H new ATOM 1596 N ILE A 96 -7.810 11.343 2.861 1.00 0.00 N ATOM 1597 CA ILE A 96 -7.178 11.526 4.161 1.00 0.00 C ATOM 1598 C ILE A 96 -6.612 12.936 4.281 1.00 0.00 C ATOM 1599 O ILE A 96 -6.632 13.702 3.317 1.00 0.00 O ATOM 1600 CB ILE A 96 -6.044 10.498 4.391 1.00 0.00 C ATOM 1601 CG1 ILE A 96 -4.998 10.595 3.273 1.00 0.00 C ATOM 1602 CG2 ILE A 96 -6.612 9.091 4.477 1.00 0.00 C ATOM 1603 CD1 ILE A 96 -3.841 9.630 3.433 1.00 0.00 C ATOM 0 H ILE A 96 -7.206 11.561 2.069 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.944 11.371 4.921 1.00 0.00 H new ATOM 0 HB ILE A 96 -5.554 10.727 5.338 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.485 10.409 2.316 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -4.608 11.612 3.240 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.801 8.381 4.639 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -7.316 9.033 5.307 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.126 8.849 3.547 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.143 9.758 2.605 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.328 9.830 4.374 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.218 8.607 3.435 1.00 0.00 H new ATOM 1615 N ARG A 97 -6.118 13.278 5.465 1.00 0.00 N ATOM 1616 CA ARG A 97 -5.511 14.585 5.691 1.00 0.00 C ATOM 1617 C ARG A 97 -4.148 14.656 5.007 1.00 0.00 C ATOM 1618 O ARG A 97 -3.895 15.534 4.180 1.00 0.00 O ATOM 1619 CB ARG A 97 -5.358 14.845 7.196 1.00 0.00 C ATOM 1620 CG ARG A 97 -4.898 16.255 7.532 1.00 0.00 C ATOM 1621 CD ARG A 97 -4.581 16.405 9.013 1.00 0.00 C ATOM 1622 NE ARG A 97 -3.406 15.628 9.404 1.00 0.00 N ATOM 1623 CZ ARG A 97 -3.115 15.282 10.658 1.00 0.00 C ATOM 1624 NH1 ARG A 97 -3.913 15.631 11.661 1.00 0.00 N ATOM 1625 NH2 ARG A 97 -2.020 14.584 10.912 1.00 0.00 N ATOM 0 H ARG A 97 -6.126 12.669 6.283 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.160 15.351 5.266 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -6.313 14.658 7.686 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -4.644 14.132 7.608 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.013 16.499 6.944 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -5.674 16.968 7.252 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -4.413 17.457 9.243 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -5.440 16.084 9.602 1.00 0.00 H new ATOM 0 HE ARG A 97 -2.766 15.331 8.668 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -4.759 16.170 11.476 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -3.680 15.360 12.616 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -1.400 14.312 10.149 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -1.796 14.318 11.871 1.00 0.00 H new ATOM 1639 N PHE A 98 -3.287 13.708 5.352 1.00 0.00 N ATOM 1640 CA PHE A 98 -1.940 13.639 4.810 1.00 0.00 C ATOM 1641 C PHE A 98 -1.401 12.234 5.050 1.00 0.00 C ATOM 1642 O PHE A 98 -2.066 11.434 5.703 1.00 0.00 O ATOM 1643 CB PHE A 98 -1.047 14.690 5.485 1.00 0.00 C ATOM 1644 CG PHE A 98 0.301 14.872 4.842 1.00 0.00 C ATOM 1645 CD1 PHE A 98 0.413 15.477 3.602 1.00 0.00 C ATOM 1646 CD2 PHE A 98 1.454 14.442 5.481 1.00 0.00 C ATOM 1647 CE1 PHE A 98 1.649 15.648 3.008 1.00 0.00 C ATOM 1648 CE2 PHE A 98 2.693 14.609 4.891 1.00 0.00 C ATOM 1649 CZ PHE A 98 2.790 15.215 3.654 1.00 0.00 C ATOM 0 H PHE A 98 -3.505 12.965 6.016 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.950 13.849 3.740 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.569 15.647 5.482 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.902 14.409 6.528 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.476 15.819 3.093 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.383 13.971 6.450 1.00 0.00 H new ATOM 0 HE1 PHE A 98 1.722 16.120 2.039 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.584 14.266 5.397 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.757 15.350 3.192 1.00 0.00 H new ATOM 1659 N ASN A 99 -0.224 11.937 4.511 1.00 0.00 N ATOM 1660 CA ASN A 99 0.411 10.630 4.689 1.00 0.00 C ATOM 1661 C ASN A 99 0.659 10.352 6.172 1.00 0.00 C ATOM 1662 O ASN A 99 1.562 10.936 6.770 1.00 0.00 O ATOM 1663 CB ASN A 99 1.751 10.587 3.945 1.00 0.00 C ATOM 1664 CG ASN A 99 1.632 10.942 2.477 1.00 0.00 C ATOM 1665 OD1 ASN A 99 1.525 9.936 1.626 1.00 0.00 O flip ATOM 1666 ND2 ASN A 99 1.658 12.115 2.106 1.00 0.00 N flip ATOM 0 H ASN A 99 0.316 12.588 3.942 1.00 0.00 H new ATOM 0 HA ASN A 99 -0.259 9.871 4.285 1.00 0.00 H new ATOM 0 HB2 ASN A 99 2.447 11.276 4.423 1.00 0.00 H new ATOM 0 HB3 ASN A 99 2.178 9.588 4.037 1.00 0.00 H new ATOM 0 HD21 ASN A 99 1.741 12.865 2.792 1.00 0.00 H new ATOM 0 HD22 ASN A 99 1.596 12.337 1.112 1.00 0.00 H new ATOM 1673 N PRO A 100 -0.121 9.446 6.787 1.00 0.00 N ATOM 1674 CA PRO A 100 -0.017 9.160 8.220 1.00 0.00 C ATOM 1675 C PRO A 100 1.328 8.549 8.580 1.00 0.00 C ATOM 1676 O PRO A 100 1.798 8.682 9.708 1.00 0.00 O ATOM 1677 CB PRO A 100 -1.148 8.161 8.485 1.00 0.00 C ATOM 1678 CG PRO A 100 -2.051 8.276 7.305 1.00 0.00 C ATOM 1679 CD PRO A 100 -1.164 8.632 6.147 1.00 0.00 C ATOM 0 HA PRO A 100 -0.097 10.066 8.820 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -0.762 7.147 8.589 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -1.675 8.398 9.409 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.577 7.339 7.122 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.810 9.041 7.466 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.750 7.746 5.665 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.701 9.190 5.380 1.00 0.00 H new ATOM 1687 N ALA A 101 1.945 7.893 7.607 1.00 0.00 N ATOM 1688 CA ALA A 101 3.261 7.296 7.791 1.00 0.00 C ATOM 1689 C ALA A 101 4.320 8.373 8.022 1.00 0.00 C ATOM 1690 O ALA A 101 5.326 8.140 8.692 1.00 0.00 O ATOM 1691 CB ALA A 101 3.614 6.435 6.586 1.00 0.00 C ATOM 0 H ALA A 101 1.552 7.760 6.675 1.00 0.00 H new ATOM 0 HA ALA A 101 3.236 6.661 8.677 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.599 5.992 6.731 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.873 5.643 6.475 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.623 7.052 5.688 1.00 0.00 H new