USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 622 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 419 SER OG : rot 180:sc= -0.196 USER MOD Set 1.2: A 421 SER OG : rot 180:sc= 0.04 USER MOD Set 2.1: A 390 GLN :FLIP amide:sc=-0.00766 F(o=0.0038,f=0.69) USER MOD Set 2.2: A 406 SER OG : rot 160:sc= 0.703 USER MOD Single : A 372 SER OG : rot 180:sc= 0 USER MOD Single : A 373 SER OG : rot 180:sc= 0 USER MOD Single : A 376 TYR OH : rot 63:sc= 1.25 USER MOD Single : A 377 GLN :FLIP amide:sc= -0.0332 F(o=-0.96,f=-0.033) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 389 SER OG : rot 180:sc= -0.38 USER MOD Single : A 399 ASN : amide:sc= -0.306 K(o=-0.31,f=-2.3!) USER MOD Single : A 401 THR OG1 : rot 180:sc= 0 USER MOD Single : A 402 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 416 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 417 THR OG1 : rot 180:sc= 0 USER MOD Single : A 420 GLN : amide:sc= -0.0198 X(o=-0.02,f=-0.19) USER MOD Single : A 425 ASN : amide:sc= -0.433 K(o=-0.43,f=-2.6!) USER MOD Single : A 429 MET CE :methyl 150:sc= -0.705 (180deg=-2.28!) USER MOD Single : A 430 GLN : amide:sc= -0.197 K(o=-0.2,f=-2.3!) USER MOD Single : A 431 ASN : amide:sc= 1.21 K(o=1.2,f=-0.041) USER MOD Single : A 434 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 444 TYR OH : rot -39:sc= 0.0859 USER MOD Single : A 445 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 44 N VAL A 371 -9.790 7.360 -6.833 1.00 0.00 N ATOM 45 CA VAL A 371 -9.453 6.927 -5.483 1.00 0.00 C ATOM 46 C VAL A 371 -10.707 6.762 -4.630 1.00 0.00 C ATOM 47 O VAL A 371 -11.053 7.639 -3.838 1.00 0.00 O ATOM 48 CB VAL A 371 -8.502 7.923 -4.790 1.00 0.00 C ATOM 49 CG1 VAL A 371 -8.032 7.373 -3.452 1.00 0.00 C ATOM 50 CG2 VAL A 371 -7.317 8.243 -5.688 1.00 0.00 C ATOM 0 HA VAL A 371 -8.950 5.965 -5.578 1.00 0.00 H new ATOM 0 HB VAL A 371 -9.049 8.848 -4.604 1.00 0.00 H new ATOM 0 HG11 VAL A 371 -7.362 8.091 -2.979 1.00 0.00 H new ATOM 0 HG12 VAL A 371 -8.893 7.201 -2.807 1.00 0.00 H new ATOM 0 HG13 VAL A 371 -7.504 6.433 -3.610 1.00 0.00 H new ATOM 0 HG21 VAL A 371 -6.657 8.947 -5.182 1.00 0.00 H new ATOM 0 HG22 VAL A 371 -6.769 7.327 -5.908 1.00 0.00 H new ATOM 0 HG23 VAL A 371 -7.674 8.685 -6.618 1.00 0.00 H new ATOM 60 N SER A 372 -11.386 5.631 -4.798 1.00 0.00 N ATOM 61 CA SER A 372 -12.602 5.351 -4.045 1.00 0.00 C ATOM 62 C SER A 372 -12.313 4.420 -2.872 1.00 0.00 C ATOM 63 O SER A 372 -11.160 4.087 -2.600 1.00 0.00 O ATOM 64 CB SER A 372 -13.661 4.729 -4.957 1.00 0.00 C ATOM 65 OG SER A 372 -13.926 5.561 -6.073 1.00 0.00 O ATOM 0 H SER A 372 -11.114 4.894 -5.449 1.00 0.00 H new ATOM 0 HA SER A 372 -12.981 6.294 -3.652 1.00 0.00 H new ATOM 0 HB2 SER A 372 -13.321 3.752 -5.301 1.00 0.00 H new ATOM 0 HB3 SER A 372 -14.580 4.567 -4.394 1.00 0.00 H new ATOM 0 HG SER A 372 -14.605 5.140 -6.641 1.00 0.00 H new ATOM 71 N SER A 373 -13.369 4.002 -2.181 1.00 0.00 N ATOM 72 CA SER A 373 -13.230 3.107 -1.037 1.00 0.00 C ATOM 73 C SER A 373 -12.535 1.808 -1.437 1.00 0.00 C ATOM 74 O SER A 373 -11.946 1.125 -0.599 1.00 0.00 O ATOM 75 CB SER A 373 -14.602 2.800 -0.435 1.00 0.00 C ATOM 76 OG SER A 373 -14.474 2.165 0.826 1.00 0.00 O ATOM 0 H SER A 373 -14.330 4.269 -2.393 1.00 0.00 H new ATOM 0 HA SER A 373 -12.615 3.609 -0.290 1.00 0.00 H new ATOM 0 HB2 SER A 373 -15.169 3.724 -0.325 1.00 0.00 H new ATOM 0 HB3 SER A 373 -15.165 2.159 -1.113 1.00 0.00 H new ATOM 0 HG SER A 373 -15.364 1.980 1.191 1.00 0.00 H new ATOM 82 N GLU A 374 -12.607 1.472 -2.723 1.00 0.00 N ATOM 83 CA GLU A 374 -11.984 0.256 -3.232 1.00 0.00 C ATOM 84 C GLU A 374 -10.496 0.218 -2.893 1.00 0.00 C ATOM 85 O GLU A 374 -9.910 -0.855 -2.744 1.00 0.00 O ATOM 86 CB GLU A 374 -12.176 0.155 -4.746 1.00 0.00 C ATOM 87 CG GLU A 374 -13.633 0.187 -5.178 1.00 0.00 C ATOM 88 CD GLU A 374 -14.395 -1.052 -4.749 1.00 0.00 C ATOM 89 OE1 GLU A 374 -14.474 -1.308 -3.530 1.00 0.00 O ATOM 90 OE2 GLU A 374 -14.914 -1.765 -5.634 1.00 0.00 O ATOM 0 H GLU A 374 -13.091 2.026 -3.430 1.00 0.00 H new ATOM 0 HA GLU A 374 -12.467 -0.595 -2.752 1.00 0.00 H new ATOM 0 HB2 GLU A 374 -11.645 0.977 -5.227 1.00 0.00 H new ATOM 0 HB3 GLU A 374 -11.721 -0.770 -5.101 1.00 0.00 H new ATOM 0 HG2 GLU A 374 -14.114 1.069 -4.756 1.00 0.00 H new ATOM 0 HG3 GLU A 374 -13.685 0.284 -6.262 1.00 0.00 H new ATOM 97 N ILE A 375 -9.890 1.394 -2.773 1.00 0.00 N ATOM 98 CA ILE A 375 -8.471 1.493 -2.453 1.00 0.00 C ATOM 99 C ILE A 375 -8.165 0.819 -1.118 1.00 0.00 C ATOM 100 O ILE A 375 -7.083 0.263 -0.925 1.00 0.00 O ATOM 101 CB ILE A 375 -8.007 2.964 -2.399 1.00 0.00 C ATOM 102 CG1 ILE A 375 -6.491 3.040 -2.201 1.00 0.00 C ATOM 103 CG2 ILE A 375 -8.732 3.714 -1.290 1.00 0.00 C ATOM 104 CD1 ILE A 375 -5.715 3.086 -3.499 1.00 0.00 C ATOM 0 H ILE A 375 -10.359 2.292 -2.892 1.00 0.00 H new ATOM 0 HA ILE A 375 -7.927 0.982 -3.248 1.00 0.00 H new ATOM 0 HB ILE A 375 -8.254 3.438 -3.349 1.00 0.00 H new ATOM 0 HG12 ILE A 375 -6.253 3.926 -1.613 1.00 0.00 H new ATOM 0 HG13 ILE A 375 -6.164 2.176 -1.622 1.00 0.00 H new ATOM 0 HG21 ILE A 375 -8.391 4.749 -1.268 1.00 0.00 H new ATOM 0 HG22 ILE A 375 -9.806 3.689 -1.476 1.00 0.00 H new ATOM 0 HG23 ILE A 375 -8.519 3.241 -0.331 1.00 0.00 H new ATOM 0 HD11 ILE A 375 -4.648 3.139 -3.283 1.00 0.00 H new ATOM 0 HD12 ILE A 375 -5.924 2.187 -4.080 1.00 0.00 H new ATOM 0 HD13 ILE A 375 -6.014 3.965 -4.071 1.00 0.00 H new ATOM 116 N TYR A 376 -9.124 0.872 -0.201 1.00 0.00 N ATOM 117 CA TYR A 376 -8.960 0.265 1.115 1.00 0.00 C ATOM 118 C TYR A 376 -9.153 -1.247 1.046 1.00 0.00 C ATOM 119 O TYR A 376 -8.400 -2.007 1.652 1.00 0.00 O ATOM 120 CB TYR A 376 -9.952 0.871 2.109 1.00 0.00 C ATOM 121 CG TYR A 376 -9.765 2.356 2.324 1.00 0.00 C ATOM 122 CD1 TYR A 376 -10.298 3.280 1.435 1.00 0.00 C ATOM 123 CD2 TYR A 376 -9.055 2.833 3.419 1.00 0.00 C ATOM 124 CE1 TYR A 376 -10.128 4.638 1.628 1.00 0.00 C ATOM 125 CE2 TYR A 376 -8.881 4.191 3.620 1.00 0.00 C ATOM 126 CZ TYR A 376 -9.420 5.087 2.722 1.00 0.00 C ATOM 127 OH TYR A 376 -9.248 6.439 2.918 1.00 0.00 O ATOM 0 H TYR A 376 -10.024 1.330 -0.345 1.00 0.00 H new ATOM 0 HA TYR A 376 -7.945 0.469 1.455 1.00 0.00 H new ATOM 0 HB2 TYR A 376 -10.966 0.689 1.754 1.00 0.00 H new ATOM 0 HB3 TYR A 376 -9.853 0.359 3.066 1.00 0.00 H new ATOM 0 HD1 TYR A 376 -10.855 2.931 0.578 1.00 0.00 H new ATOM 0 HD2 TYR A 376 -8.632 2.133 4.124 1.00 0.00 H new ATOM 0 HE1 TYR A 376 -10.547 5.343 0.926 1.00 0.00 H new ATOM 0 HE2 TYR A 376 -8.326 4.547 4.476 1.00 0.00 H new ATOM 0 HH TYR A 376 -10.121 6.864 3.049 1.00 0.00 H new ATOM 137 N GLN A 377 -10.168 -1.673 0.302 1.00 0.00 N ATOM 138 CA GLN A 377 -10.461 -3.094 0.152 1.00 0.00 C ATOM 139 C GLN A 377 -9.329 -3.810 -0.577 1.00 0.00 C ATOM 140 O GLN A 377 -9.050 -4.980 -0.313 1.00 0.00 O ATOM 141 CB GLN A 377 -11.775 -3.287 -0.608 1.00 0.00 C ATOM 142 CG GLN A 377 -12.981 -3.473 0.300 1.00 0.00 C ATOM 143 CD GLN A 377 -13.485 -2.163 0.874 1.00 0.00 C ATOM 144 OE1 GLN A 377 -12.683 -1.547 1.735 1.00 0.00 O flip ATOM 145 NE2 GLN A 377 -14.582 -1.711 0.547 1.00 0.00 N flip ATOM 0 H GLN A 377 -10.801 -1.055 -0.206 1.00 0.00 H new ATOM 0 HA GLN A 377 -10.557 -3.526 1.148 1.00 0.00 H new ATOM 0 HB2 GLN A 377 -11.944 -2.423 -1.250 1.00 0.00 H new ATOM 0 HB3 GLN A 377 -11.684 -4.156 -1.260 1.00 0.00 H new ATOM 0 HG2 GLN A 377 -13.783 -3.952 -0.261 1.00 0.00 H new ATOM 0 HG3 GLN A 377 -12.717 -4.145 1.116 1.00 0.00 H new ATOM 0 HE21 GLN A 377 -15.165 -2.219 -0.118 1.00 0.00 H new ATOM 0 HE22 GLN A 377 -14.908 -0.829 0.941 1.00 0.00 H new ATOM 154 N TRP A 378 -8.681 -3.100 -1.495 1.00 0.00 N ATOM 155 CA TRP A 378 -7.579 -3.668 -2.263 1.00 0.00 C ATOM 156 C TRP A 378 -6.361 -3.909 -1.376 1.00 0.00 C ATOM 157 O TRP A 378 -5.730 -4.963 -1.442 1.00 0.00 O ATOM 158 CB TRP A 378 -7.206 -2.741 -3.421 1.00 0.00 C ATOM 159 CG TRP A 378 -8.311 -2.560 -4.418 1.00 0.00 C ATOM 160 CD1 TRP A 378 -9.365 -3.399 -4.636 1.00 0.00 C ATOM 161 CD2 TRP A 378 -8.470 -1.470 -5.332 1.00 0.00 C ATOM 162 NE1 TRP A 378 -10.170 -2.899 -5.630 1.00 0.00 N ATOM 163 CE2 TRP A 378 -9.641 -1.715 -6.073 1.00 0.00 C ATOM 164 CE3 TRP A 378 -7.736 -0.310 -5.598 1.00 0.00 C ATOM 165 CZ2 TRP A 378 -10.095 -0.842 -7.061 1.00 0.00 C ATOM 166 CZ3 TRP A 378 -8.187 0.554 -6.576 1.00 0.00 C ATOM 167 CH2 TRP A 378 -9.357 0.285 -7.297 1.00 0.00 C ATOM 0 H TRP A 378 -8.900 -2.131 -1.725 1.00 0.00 H new ATOM 0 HA TRP A 378 -7.907 -4.627 -2.665 1.00 0.00 H new ATOM 0 HB2 TRP A 378 -6.924 -1.767 -3.021 1.00 0.00 H new ATOM 0 HB3 TRP A 378 -6.329 -3.142 -3.930 1.00 0.00 H new ATOM 0 HD1 TRP A 378 -9.541 -4.322 -4.104 1.00 0.00 H new ATOM 0 HE1 TRP A 378 -11.022 -3.337 -5.981 1.00 0.00 H new ATOM 0 HE3 TRP A 378 -6.832 -0.094 -5.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 378 -10.996 -1.048 -7.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 378 -7.628 1.453 -6.789 1.00 0.00 H new ATOM 0 HH2 TRP A 378 -9.683 0.982 -8.055 1.00 0.00 H new ATOM 178 N VAL A 379 -6.039 -2.924 -0.543 1.00 0.00 N ATOM 179 CA VAL A 379 -4.898 -3.028 0.357 1.00 0.00 C ATOM 180 C VAL A 379 -5.072 -4.190 1.330 1.00 0.00 C ATOM 181 O VAL A 379 -4.122 -4.920 1.616 1.00 0.00 O ATOM 182 CB VAL A 379 -4.692 -1.728 1.159 1.00 0.00 C ATOM 183 CG1 VAL A 379 -3.419 -1.805 1.989 1.00 0.00 C ATOM 184 CG2 VAL A 379 -4.660 -0.525 0.228 1.00 0.00 C ATOM 0 H VAL A 379 -6.553 -2.046 -0.473 1.00 0.00 H new ATOM 0 HA VAL A 379 -4.020 -3.204 -0.264 1.00 0.00 H new ATOM 0 HB VAL A 379 -5.534 -1.608 1.841 1.00 0.00 H new ATOM 0 HG11 VAL A 379 -3.292 -0.878 2.547 1.00 0.00 H new ATOM 0 HG12 VAL A 379 -3.488 -2.641 2.685 1.00 0.00 H new ATOM 0 HG13 VAL A 379 -2.563 -1.952 1.330 1.00 0.00 H new ATOM 0 HG21 VAL A 379 -4.514 0.383 0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 379 -3.840 -0.636 -0.482 1.00 0.00 H new ATOM 0 HG23 VAL A 379 -5.603 -0.460 -0.315 1.00 0.00 H new ATOM 194 N ARG A 380 -6.290 -4.356 1.834 1.00 0.00 N ATOM 195 CA ARG A 380 -6.588 -5.430 2.775 1.00 0.00 C ATOM 196 C ARG A 380 -6.671 -6.773 2.059 1.00 0.00 C ATOM 197 O ARG A 380 -6.358 -7.816 2.636 1.00 0.00 O ATOM 198 CB ARG A 380 -7.901 -5.144 3.505 1.00 0.00 C ATOM 199 CG ARG A 380 -7.891 -3.842 4.288 1.00 0.00 C ATOM 200 CD ARG A 380 -8.833 -3.898 5.479 1.00 0.00 C ATOM 201 NE ARG A 380 -8.150 -4.319 6.699 1.00 0.00 N ATOM 202 CZ ARG A 380 -8.628 -4.120 7.925 1.00 0.00 C ATOM 203 NH1 ARG A 380 -9.794 -3.508 8.097 1.00 0.00 N ATOM 204 NH2 ARG A 380 -7.942 -4.534 8.981 1.00 0.00 N ATOM 0 H ARG A 380 -7.087 -3.761 1.607 1.00 0.00 H new ATOM 0 HA ARG A 380 -5.778 -5.478 3.503 1.00 0.00 H new ATOM 0 HB2 ARG A 380 -8.712 -5.115 2.778 1.00 0.00 H new ATOM 0 HB3 ARG A 380 -8.114 -5.967 4.187 1.00 0.00 H new ATOM 0 HG2 ARG A 380 -6.879 -3.632 4.634 1.00 0.00 H new ATOM 0 HG3 ARG A 380 -8.181 -3.020 3.633 1.00 0.00 H new ATOM 0 HD2 ARG A 380 -9.279 -2.916 5.634 1.00 0.00 H new ATOM 0 HD3 ARG A 380 -9.649 -4.588 5.264 1.00 0.00 H new ATOM 0 HE ARG A 380 -7.252 -4.794 6.606 1.00 0.00 H new ATOM 0 HH11 ARG A 380 -10.327 -3.189 7.288 1.00 0.00 H new ATOM 0 HH12 ARG A 380 -10.157 -3.357 9.038 1.00 0.00 H new ATOM 0 HH21 ARG A 380 -7.047 -5.006 8.855 1.00 0.00 H new ATOM 0 HH22 ARG A 380 -8.310 -4.381 9.920 1.00 0.00 H new ATOM 218 N ASP A 381 -7.097 -6.745 0.800 1.00 0.00 N ATOM 219 CA ASP A 381 -7.220 -7.961 0.007 1.00 0.00 C ATOM 220 C ASP A 381 -5.848 -8.478 -0.416 1.00 0.00 C ATOM 221 O ASP A 381 -5.564 -9.671 -0.312 1.00 0.00 O ATOM 222 CB ASP A 381 -8.085 -7.703 -1.229 1.00 0.00 C ATOM 223 CG ASP A 381 -9.551 -8.000 -0.980 1.00 0.00 C ATOM 224 OD1 ASP A 381 -10.100 -7.486 0.016 1.00 0.00 O ATOM 225 OD2 ASP A 381 -10.150 -8.748 -1.782 1.00 0.00 O ATOM 0 H ASP A 381 -7.363 -5.892 0.308 1.00 0.00 H new ATOM 0 HA ASP A 381 -7.698 -8.721 0.625 1.00 0.00 H new ATOM 0 HB2 ASP A 381 -7.975 -6.663 -1.536 1.00 0.00 H new ATOM 0 HB3 ASP A 381 -7.727 -8.318 -2.054 1.00 0.00 H new ATOM 230 N GLU A 382 -5.003 -7.572 -0.894 1.00 0.00 N ATOM 231 CA GLU A 382 -3.659 -7.936 -1.332 1.00 0.00 C ATOM 232 C GLU A 382 -2.817 -8.425 -0.158 1.00 0.00 C ATOM 233 O GLU A 382 -1.997 -9.332 -0.304 1.00 0.00 O ATOM 234 CB GLU A 382 -2.977 -6.742 -2.001 1.00 0.00 C ATOM 235 CG GLU A 382 -1.970 -7.135 -3.068 1.00 0.00 C ATOM 236 CD GLU A 382 -2.598 -7.926 -4.200 1.00 0.00 C ATOM 237 OE1 GLU A 382 -3.539 -7.405 -4.837 1.00 0.00 O ATOM 238 OE2 GLU A 382 -2.151 -9.065 -4.448 1.00 0.00 O ATOM 0 H GLU A 382 -5.224 -6.581 -0.988 1.00 0.00 H new ATOM 0 HA GLU A 382 -3.747 -8.747 -2.055 1.00 0.00 H new ATOM 0 HB2 GLU A 382 -3.738 -6.104 -2.450 1.00 0.00 H new ATOM 0 HB3 GLU A 382 -2.473 -6.148 -1.239 1.00 0.00 H new ATOM 0 HG2 GLU A 382 -1.505 -6.236 -3.472 1.00 0.00 H new ATOM 0 HG3 GLU A 382 -1.176 -7.727 -2.613 1.00 0.00 H new ATOM 245 N LEU A 383 -3.026 -7.818 1.006 1.00 0.00 N ATOM 246 CA LEU A 383 -2.286 -8.192 2.207 1.00 0.00 C ATOM 247 C LEU A 383 -2.667 -9.595 2.667 1.00 0.00 C ATOM 248 O LEU A 383 -1.840 -10.327 3.209 1.00 0.00 O ATOM 249 CB LEU A 383 -2.550 -7.185 3.328 1.00 0.00 C ATOM 250 CG LEU A 383 -1.628 -5.963 3.331 1.00 0.00 C ATOM 251 CD1 LEU A 383 -1.969 -5.042 4.491 1.00 0.00 C ATOM 252 CD2 LEU A 383 -0.172 -6.398 3.402 1.00 0.00 C ATOM 0 H LEU A 383 -3.701 -7.066 1.143 1.00 0.00 H new ATOM 0 HA LEU A 383 -1.223 -8.186 1.965 1.00 0.00 H new ATOM 0 HB2 LEU A 383 -3.582 -6.842 3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 383 -2.453 -7.697 4.286 1.00 0.00 H new ATOM 0 HG LEU A 383 -1.778 -5.413 2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 383 -1.304 -4.179 4.478 1.00 0.00 H new ATOM 0 HD12 LEU A 383 -3.002 -4.706 4.397 1.00 0.00 H new ATOM 0 HD13 LEU A 383 -1.846 -5.580 5.431 1.00 0.00 H new ATOM 0 HD21 LEU A 383 0.471 -5.518 3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 383 -0.007 -6.969 4.316 1.00 0.00 H new ATOM 0 HD23 LEU A 383 0.065 -7.019 2.538 1.00 0.00 H new ATOM 264 N LYS A 384 -3.925 -9.963 2.445 1.00 0.00 N ATOM 265 CA LYS A 384 -4.417 -11.279 2.839 1.00 0.00 C ATOM 266 C LYS A 384 -3.995 -12.341 1.828 1.00 0.00 C ATOM 267 O LYS A 384 -3.551 -13.426 2.203 1.00 0.00 O ATOM 268 CB LYS A 384 -5.940 -11.261 2.970 1.00 0.00 C ATOM 269 CG LYS A 384 -6.426 -10.871 4.355 1.00 0.00 C ATOM 270 CD LYS A 384 -6.437 -12.063 5.299 1.00 0.00 C ATOM 271 CE LYS A 384 -5.222 -12.063 6.213 1.00 0.00 C ATOM 272 NZ LYS A 384 -5.327 -13.099 7.277 1.00 0.00 N ATOM 0 H LYS A 384 -4.622 -9.369 1.995 1.00 0.00 H new ATOM 0 HA LYS A 384 -3.980 -11.528 3.806 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -6.351 -10.564 2.240 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -6.329 -12.248 2.722 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -5.783 -10.090 4.761 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -7.430 -10.452 4.285 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.346 -12.043 5.901 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.458 -12.986 4.720 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -4.323 -12.240 5.622 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -5.113 -11.081 6.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -4.479 -13.066 7.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -6.171 -12.916 7.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.405 -14.039 6.840 1.00 0.00 H new ATOM 286 N ARG A 385 -4.133 -12.021 0.546 1.00 0.00 N ATOM 287 CA ARG A 385 -3.766 -12.947 -0.518 1.00 0.00 C ATOM 288 C ARG A 385 -2.255 -13.158 -0.558 1.00 0.00 C ATOM 289 O ARG A 385 -1.778 -14.247 -0.877 1.00 0.00 O ATOM 290 CB ARG A 385 -4.258 -12.426 -1.870 1.00 0.00 C ATOM 291 CG ARG A 385 -5.586 -13.025 -2.307 1.00 0.00 C ATOM 292 CD ARG A 385 -5.515 -13.577 -3.721 1.00 0.00 C ATOM 293 NE ARG A 385 -6.803 -13.502 -4.404 1.00 0.00 N ATOM 294 CZ ARG A 385 -7.361 -12.366 -4.812 1.00 0.00 C ATOM 295 NH1 ARG A 385 -6.748 -11.207 -4.610 1.00 0.00 N ATOM 296 NH2 ARG A 385 -8.536 -12.388 -5.427 1.00 0.00 N ATOM 0 H ARG A 385 -4.497 -11.126 0.219 1.00 0.00 H new ATOM 0 HA ARG A 385 -4.243 -13.905 -0.312 1.00 0.00 H new ATOM 0 HB2 ARG A 385 -4.358 -11.342 -1.818 1.00 0.00 H new ATOM 0 HB3 ARG A 385 -3.505 -12.641 -2.628 1.00 0.00 H new ATOM 0 HG2 ARG A 385 -5.870 -13.821 -1.619 1.00 0.00 H new ATOM 0 HG3 ARG A 385 -6.364 -12.264 -2.252 1.00 0.00 H new ATOM 0 HD2 ARG A 385 -4.770 -13.021 -4.290 1.00 0.00 H new ATOM 0 HD3 ARG A 385 -5.182 -14.614 -3.689 1.00 0.00 H new ATOM 0 HE ARG A 385 -7.305 -14.373 -4.579 1.00 0.00 H new ATOM 0 HH11 ARG A 385 -5.843 -11.184 -4.139 1.00 0.00 H new ATOM 0 HH12 ARG A 385 -7.181 -10.339 -4.925 1.00 0.00 H new ATOM 0 HH21 ARG A 385 -9.011 -13.276 -5.587 1.00 0.00 H new ATOM 0 HH22 ARG A 385 -8.964 -11.517 -5.740 1.00 0.00 H new ATOM 310 N ALA A 386 -1.509 -12.107 -0.234 1.00 0.00 N ATOM 311 CA ALA A 386 -0.052 -12.176 -0.234 1.00 0.00 C ATOM 312 C ALA A 386 0.468 -12.787 1.063 1.00 0.00 C ATOM 313 O ALA A 386 0.995 -13.899 1.069 1.00 0.00 O ATOM 314 CB ALA A 386 0.541 -10.790 -0.441 1.00 0.00 C ATOM 0 H ALA A 386 -1.889 -11.198 0.032 1.00 0.00 H new ATOM 0 HA ALA A 386 0.257 -12.819 -1.058 1.00 0.00 H new ATOM 0 HB1 ALA A 386 1.629 -10.856 -0.439 1.00 0.00 H new ATOM 0 HB2 ALA A 386 0.204 -10.389 -1.397 1.00 0.00 H new ATOM 0 HB3 ALA A 386 0.216 -10.131 0.364 1.00 0.00 H new ATOM 320 N GLY A 387 0.317 -12.053 2.160 1.00 0.00 N ATOM 321 CA GLY A 387 0.776 -12.540 3.447 1.00 0.00 C ATOM 322 C GLY A 387 2.122 -11.960 3.839 1.00 0.00 C ATOM 323 O GLY A 387 3.096 -12.694 4.005 1.00 0.00 O ATOM 0 H GLY A 387 -0.115 -11.129 2.181 1.00 0.00 H new ATOM 0 HA2 GLY A 387 0.040 -12.290 4.211 1.00 0.00 H new ATOM 0 HA3 GLY A 387 0.847 -13.627 3.417 1.00 0.00 H new ATOM 327 N ILE A 388 2.175 -10.642 3.988 1.00 0.00 N ATOM 328 CA ILE A 388 3.411 -9.964 4.361 1.00 0.00 C ATOM 329 C ILE A 388 3.151 -8.882 5.403 1.00 0.00 C ATOM 330 O ILE A 388 2.008 -8.476 5.619 1.00 0.00 O ATOM 331 CB ILE A 388 4.096 -9.327 3.138 1.00 0.00 C ATOM 332 CG1 ILE A 388 3.123 -8.405 2.402 1.00 0.00 C ATOM 333 CG2 ILE A 388 4.619 -10.407 2.202 1.00 0.00 C ATOM 334 CD1 ILE A 388 3.799 -7.465 1.429 1.00 0.00 C ATOM 0 H ILE A 388 1.377 -10.021 3.856 1.00 0.00 H new ATOM 0 HA ILE A 388 4.071 -10.722 4.783 1.00 0.00 H new ATOM 0 HB ILE A 388 4.941 -8.731 3.484 1.00 0.00 H new ATOM 0 HG12 ILE A 388 2.397 -9.013 1.862 1.00 0.00 H new ATOM 0 HG13 ILE A 388 2.567 -7.819 3.134 1.00 0.00 H new ATOM 0 HG21 ILE A 388 5.101 -9.941 1.342 1.00 0.00 H new ATOM 0 HG22 ILE A 388 5.342 -11.028 2.731 1.00 0.00 H new ATOM 0 HG23 ILE A 388 3.789 -11.027 1.862 1.00 0.00 H new ATOM 0 HD11 ILE A 388 3.048 -6.842 0.944 1.00 0.00 H new ATOM 0 HD12 ILE A 388 4.505 -6.831 1.966 1.00 0.00 H new ATOM 0 HD13 ILE A 388 4.332 -8.044 0.675 1.00 0.00 H new ATOM 346 N SER A 389 4.217 -8.418 6.046 1.00 0.00 N ATOM 347 CA SER A 389 4.105 -7.382 7.067 1.00 0.00 C ATOM 348 C SER A 389 3.793 -6.029 6.436 1.00 0.00 C ATOM 349 O SER A 389 4.150 -5.771 5.286 1.00 0.00 O ATOM 350 CB SER A 389 5.397 -7.294 7.879 1.00 0.00 C ATOM 351 OG SER A 389 6.528 -7.572 7.071 1.00 0.00 O ATOM 0 H SER A 389 5.169 -8.743 5.878 1.00 0.00 H new ATOM 0 HA SER A 389 3.285 -7.650 7.733 1.00 0.00 H new ATOM 0 HB2 SER A 389 5.491 -6.298 8.311 1.00 0.00 H new ATOM 0 HB3 SER A 389 5.357 -7.999 8.709 1.00 0.00 H new ATOM 0 HG SER A 389 7.342 -7.507 7.614 1.00 0.00 H new ATOM 357 N GLN A 390 3.128 -5.165 7.197 1.00 0.00 N ATOM 358 CA GLN A 390 2.769 -3.838 6.713 1.00 0.00 C ATOM 359 C GLN A 390 4.016 -3.021 6.392 1.00 0.00 C ATOM 360 O GLN A 390 4.003 -2.173 5.499 1.00 0.00 O ATOM 361 CB GLN A 390 1.918 -3.106 7.753 1.00 0.00 C ATOM 362 CG GLN A 390 0.427 -3.353 7.601 1.00 0.00 C ATOM 363 CD GLN A 390 -0.309 -3.310 8.926 1.00 0.00 C ATOM 364 OE1 GLN A 390 -0.906 -2.165 9.236 1.00 0.00 O flip ATOM 365 NE2 GLN A 390 -0.340 -4.295 9.664 1.00 0.00 N flip ATOM 0 H GLN A 390 2.827 -5.361 8.152 1.00 0.00 H new ATOM 0 HA GLN A 390 2.189 -3.956 5.798 1.00 0.00 H new ATOM 0 HB2 GLN A 390 2.230 -3.418 8.750 1.00 0.00 H new ATOM 0 HB3 GLN A 390 2.110 -2.036 7.679 1.00 0.00 H new ATOM 0 HG2 GLN A 390 0.005 -2.604 6.931 1.00 0.00 H new ATOM 0 HG3 GLN A 390 0.269 -4.325 7.133 1.00 0.00 H new ATOM 0 HE21 GLN A 390 0.133 -5.155 9.387 1.00 0.00 H new ATOM 0 HE22 GLN A 390 -0.838 -4.251 10.553 1.00 0.00 H new ATOM 374 N ALA A 391 5.093 -3.280 7.128 1.00 0.00 N ATOM 375 CA ALA A 391 6.348 -2.568 6.921 1.00 0.00 C ATOM 376 C ALA A 391 6.866 -2.767 5.500 1.00 0.00 C ATOM 377 O ALA A 391 7.436 -1.853 4.903 1.00 0.00 O ATOM 378 CB ALA A 391 7.387 -3.029 7.932 1.00 0.00 C ATOM 0 H ALA A 391 5.121 -3.977 7.872 1.00 0.00 H new ATOM 0 HA ALA A 391 6.161 -1.504 7.065 1.00 0.00 H new ATOM 0 HB1 ALA A 391 8.320 -2.490 7.767 1.00 0.00 H new ATOM 0 HB2 ALA A 391 7.026 -2.830 8.941 1.00 0.00 H new ATOM 0 HB3 ALA A 391 7.560 -4.099 7.814 1.00 0.00 H new ATOM 384 N VAL A 392 6.662 -3.966 4.964 1.00 0.00 N ATOM 385 CA VAL A 392 7.109 -4.284 3.614 1.00 0.00 C ATOM 386 C VAL A 392 6.140 -3.731 2.572 1.00 0.00 C ATOM 387 O VAL A 392 6.557 -3.209 1.537 1.00 0.00 O ATOM 388 CB VAL A 392 7.248 -5.805 3.411 1.00 0.00 C ATOM 389 CG1 VAL A 392 7.854 -6.112 2.050 1.00 0.00 C ATOM 390 CG2 VAL A 392 8.085 -6.419 4.525 1.00 0.00 C ATOM 0 H VAL A 392 6.190 -4.732 5.444 1.00 0.00 H new ATOM 0 HA VAL A 392 8.086 -3.817 3.485 1.00 0.00 H new ATOM 0 HB VAL A 392 6.253 -6.248 3.447 1.00 0.00 H new ATOM 0 HG11 VAL A 392 7.944 -7.191 1.927 1.00 0.00 H new ATOM 0 HG12 VAL A 392 7.212 -5.709 1.267 1.00 0.00 H new ATOM 0 HG13 VAL A 392 8.841 -5.656 1.980 1.00 0.00 H new ATOM 0 HG21 VAL A 392 8.172 -7.494 4.365 1.00 0.00 H new ATOM 0 HG22 VAL A 392 9.078 -5.970 4.523 1.00 0.00 H new ATOM 0 HG23 VAL A 392 7.605 -6.233 5.486 1.00 0.00 H new ATOM 400 N PHE A 393 4.848 -3.849 2.852 1.00 0.00 N ATOM 401 CA PHE A 393 3.820 -3.361 1.940 1.00 0.00 C ATOM 402 C PHE A 393 3.833 -1.838 1.867 1.00 0.00 C ATOM 403 O PHE A 393 3.854 -1.258 0.781 1.00 0.00 O ATOM 404 CB PHE A 393 2.440 -3.850 2.385 1.00 0.00 C ATOM 405 CG PHE A 393 1.358 -3.601 1.371 1.00 0.00 C ATOM 406 CD1 PHE A 393 1.093 -4.533 0.381 1.00 0.00 C ATOM 407 CD2 PHE A 393 0.610 -2.436 1.410 1.00 0.00 C ATOM 408 CE1 PHE A 393 0.099 -4.307 -0.552 1.00 0.00 C ATOM 409 CE2 PHE A 393 -0.385 -2.206 0.479 1.00 0.00 C ATOM 410 CZ PHE A 393 -0.641 -3.143 -0.503 1.00 0.00 C ATOM 0 H PHE A 393 4.487 -4.279 3.704 1.00 0.00 H new ATOM 0 HA PHE A 393 4.035 -3.755 0.947 1.00 0.00 H new ATOM 0 HB2 PHE A 393 2.492 -4.919 2.594 1.00 0.00 H new ATOM 0 HB3 PHE A 393 2.172 -3.356 3.319 1.00 0.00 H new ATOM 0 HD1 PHE A 393 1.669 -5.446 0.338 1.00 0.00 H new ATOM 0 HD2 PHE A 393 0.806 -1.700 2.176 1.00 0.00 H new ATOM 0 HE1 PHE A 393 -0.099 -5.041 -1.319 1.00 0.00 H new ATOM 0 HE2 PHE A 393 -0.962 -1.294 0.519 1.00 0.00 H new ATOM 0 HZ PHE A 393 -1.419 -2.965 -1.231 1.00 0.00 H new ATOM 420 N ALA A 394 3.817 -1.195 3.029 1.00 0.00 N ATOM 421 CA ALA A 394 3.828 0.261 3.098 1.00 0.00 C ATOM 422 C ALA A 394 5.085 0.834 2.453 1.00 0.00 C ATOM 423 O ALA A 394 5.038 1.875 1.799 1.00 0.00 O ATOM 424 CB ALA A 394 3.718 0.721 4.545 1.00 0.00 C ATOM 0 H ALA A 394 3.796 -1.660 3.937 1.00 0.00 H new ATOM 0 HA ALA A 394 2.967 0.632 2.543 1.00 0.00 H new ATOM 0 HB1 ALA A 394 3.727 1.810 4.582 1.00 0.00 H new ATOM 0 HB2 ALA A 394 2.787 0.351 4.975 1.00 0.00 H new ATOM 0 HB3 ALA A 394 4.561 0.331 5.116 1.00 0.00 H new ATOM 430 N ARG A 395 6.207 0.147 2.641 1.00 0.00 N ATOM 431 CA ARG A 395 7.477 0.590 2.076 1.00 0.00 C ATOM 432 C ARG A 395 7.401 0.653 0.554 1.00 0.00 C ATOM 433 O ARG A 395 7.913 1.587 -0.064 1.00 0.00 O ATOM 434 CB ARG A 395 8.605 -0.350 2.506 1.00 0.00 C ATOM 435 CG ARG A 395 9.987 0.134 2.098 1.00 0.00 C ATOM 436 CD ARG A 395 11.032 -0.218 3.145 1.00 0.00 C ATOM 437 NE ARG A 395 12.374 0.201 2.741 1.00 0.00 N ATOM 438 CZ ARG A 395 13.123 -0.460 1.862 1.00 0.00 C ATOM 439 NH1 ARG A 395 12.666 -1.569 1.291 1.00 0.00 N ATOM 440 NH2 ARG A 395 14.330 -0.012 1.551 1.00 0.00 N ATOM 0 H ARG A 395 6.263 -0.718 3.179 1.00 0.00 H new ATOM 0 HA ARG A 395 7.686 1.591 2.452 1.00 0.00 H new ATOM 0 HB2 ARG A 395 8.575 -0.468 3.589 1.00 0.00 H new ATOM 0 HB3 ARG A 395 8.431 -1.335 2.073 1.00 0.00 H new ATOM 0 HG2 ARG A 395 10.263 -0.313 1.143 1.00 0.00 H new ATOM 0 HG3 ARG A 395 9.967 1.214 1.951 1.00 0.00 H new ATOM 0 HD2 ARG A 395 10.773 0.258 4.091 1.00 0.00 H new ATOM 0 HD3 ARG A 395 11.025 -1.294 3.317 1.00 0.00 H new ATOM 0 HE ARG A 395 12.758 1.049 3.157 1.00 0.00 H new ATOM 0 HH11 ARG A 395 11.737 -1.918 1.526 1.00 0.00 H new ATOM 0 HH12 ARG A 395 13.244 -2.072 0.618 1.00 0.00 H new ATOM 0 HH21 ARG A 395 14.685 0.840 1.985 1.00 0.00 H new ATOM 0 HH22 ARG A 395 14.904 -0.519 0.877 1.00 0.00 H new ATOM 454 N VAL A 396 6.761 -0.346 -0.045 1.00 0.00 N ATOM 455 CA VAL A 396 6.620 -0.401 -1.495 1.00 0.00 C ATOM 456 C VAL A 396 5.403 0.390 -1.960 1.00 0.00 C ATOM 457 O VAL A 396 5.388 0.936 -3.063 1.00 0.00 O ATOM 458 CB VAL A 396 6.494 -1.855 -1.992 1.00 0.00 C ATOM 459 CG1 VAL A 396 7.764 -2.635 -1.689 1.00 0.00 C ATOM 460 CG2 VAL A 396 5.282 -2.532 -1.368 1.00 0.00 C ATOM 0 H VAL A 396 6.332 -1.127 0.451 1.00 0.00 H new ATOM 0 HA VAL A 396 7.521 0.043 -1.917 1.00 0.00 H new ATOM 0 HB VAL A 396 6.354 -1.838 -3.073 1.00 0.00 H new ATOM 0 HG11 VAL A 396 7.656 -3.659 -2.047 1.00 0.00 H new ATOM 0 HG12 VAL A 396 8.609 -2.163 -2.189 1.00 0.00 H new ATOM 0 HG13 VAL A 396 7.938 -2.643 -0.613 1.00 0.00 H new ATOM 0 HG21 VAL A 396 5.211 -3.557 -1.731 1.00 0.00 H new ATOM 0 HG22 VAL A 396 5.387 -2.538 -0.283 1.00 0.00 H new ATOM 0 HG23 VAL A 396 4.379 -1.986 -1.642 1.00 0.00 H new ATOM 470 N ALA A 397 4.381 0.448 -1.111 1.00 0.00 N ATOM 471 CA ALA A 397 3.159 1.172 -1.435 1.00 0.00 C ATOM 472 C ALA A 397 3.376 2.680 -1.354 1.00 0.00 C ATOM 473 O ALA A 397 3.296 3.383 -2.361 1.00 0.00 O ATOM 474 CB ALA A 397 2.033 0.749 -0.505 1.00 0.00 C ATOM 0 H ALA A 397 4.376 0.002 -0.194 1.00 0.00 H new ATOM 0 HA ALA A 397 2.881 0.926 -2.460 1.00 0.00 H new ATOM 0 HB1 ALA A 397 1.126 1.298 -0.759 1.00 0.00 H new ATOM 0 HB2 ALA A 397 1.853 -0.320 -0.615 1.00 0.00 H new ATOM 0 HB3 ALA A 397 2.312 0.966 0.526 1.00 0.00 H new ATOM 480 N PHE A 398 3.648 3.170 -0.149 1.00 0.00 N ATOM 481 CA PHE A 398 3.876 4.595 0.063 1.00 0.00 C ATOM 482 C PHE A 398 4.955 4.824 1.117 1.00 0.00 C ATOM 483 O PHE A 398 4.703 4.695 2.315 1.00 0.00 O ATOM 484 CB PHE A 398 2.577 5.281 0.487 1.00 0.00 C ATOM 485 CG PHE A 398 1.857 4.571 1.597 1.00 0.00 C ATOM 486 CD1 PHE A 398 1.209 3.370 1.364 1.00 0.00 C ATOM 487 CD2 PHE A 398 1.829 5.106 2.877 1.00 0.00 C ATOM 488 CE1 PHE A 398 0.545 2.714 2.383 1.00 0.00 C ATOM 489 CE2 PHE A 398 1.167 4.454 3.900 1.00 0.00 C ATOM 490 CZ PHE A 398 0.524 3.257 3.653 1.00 0.00 C ATOM 0 H PHE A 398 3.716 2.602 0.695 1.00 0.00 H new ATOM 0 HA PHE A 398 4.217 5.027 -0.878 1.00 0.00 H new ATOM 0 HB2 PHE A 398 2.800 6.300 0.803 1.00 0.00 H new ATOM 0 HB3 PHE A 398 1.915 5.353 -0.376 1.00 0.00 H new ATOM 0 HD1 PHE A 398 1.223 2.940 0.373 1.00 0.00 H new ATOM 0 HD2 PHE A 398 2.330 6.042 3.076 1.00 0.00 H new ATOM 0 HE1 PHE A 398 0.043 1.778 2.187 1.00 0.00 H new ATOM 0 HE2 PHE A 398 1.153 4.880 4.892 1.00 0.00 H new ATOM 0 HZ PHE A 398 0.006 2.746 4.451 1.00 0.00 H new ATOM 500 N ASN A 399 6.156 5.163 0.663 1.00 0.00 N ATOM 501 CA ASN A 399 7.273 5.411 1.567 1.00 0.00 C ATOM 502 C ASN A 399 7.044 6.685 2.376 1.00 0.00 C ATOM 503 O ASN A 399 7.308 7.789 1.900 1.00 0.00 O ATOM 504 CB ASN A 399 8.581 5.515 0.779 1.00 0.00 C ATOM 505 CG ASN A 399 9.596 4.472 1.202 1.00 0.00 C ATOM 506 OD1 ASN A 399 9.475 3.870 2.270 1.00 0.00 O ATOM 507 ND2 ASN A 399 10.603 4.251 0.366 1.00 0.00 N ATOM 0 H ASN A 399 6.381 5.272 -0.326 1.00 0.00 H new ATOM 0 HA ASN A 399 7.343 4.572 2.260 1.00 0.00 H new ATOM 0 HB2 ASN A 399 8.371 5.403 -0.285 1.00 0.00 H new ATOM 0 HB3 ASN A 399 9.007 6.509 0.917 1.00 0.00 H new ATOM 0 HD21 ASN A 399 11.316 3.559 0.598 1.00 0.00 H new ATOM 0 HD22 ASN A 399 10.664 4.773 -0.508 1.00 0.00 H new ATOM 514 N ARG A 400 6.552 6.523 3.599 1.00 0.00 N ATOM 515 CA ARG A 400 6.288 7.659 4.474 1.00 0.00 C ATOM 516 C ARG A 400 6.639 7.326 5.920 1.00 0.00 C ATOM 517 O ARG A 400 7.615 7.839 6.467 1.00 0.00 O ATOM 518 CB ARG A 400 4.818 8.074 4.376 1.00 0.00 C ATOM 519 CG ARG A 400 4.469 9.283 5.227 1.00 0.00 C ATOM 520 CD ARG A 400 4.604 10.575 4.438 1.00 0.00 C ATOM 521 NE ARG A 400 6.001 10.927 4.195 1.00 0.00 N ATOM 522 CZ ARG A 400 6.398 11.783 3.257 1.00 0.00 C ATOM 523 NH1 ARG A 400 5.508 12.379 2.472 1.00 0.00 N ATOM 524 NH2 ARG A 400 7.689 12.045 3.102 1.00 0.00 N ATOM 0 H ARG A 400 6.328 5.616 4.007 1.00 0.00 H new ATOM 0 HA ARG A 400 6.915 8.489 4.149 1.00 0.00 H new ATOM 0 HB2 ARG A 400 4.579 8.292 3.335 1.00 0.00 H new ATOM 0 HB3 ARG A 400 4.191 7.235 4.678 1.00 0.00 H new ATOM 0 HG2 ARG A 400 3.449 9.186 5.598 1.00 0.00 H new ATOM 0 HG3 ARG A 400 5.123 9.317 6.098 1.00 0.00 H new ATOM 0 HD2 ARG A 400 4.085 10.473 3.485 1.00 0.00 H new ATOM 0 HD3 ARG A 400 4.116 11.384 4.982 1.00 0.00 H new ATOM 0 HE ARG A 400 6.714 10.491 4.779 1.00 0.00 H new ATOM 0 HH11 ARG A 400 4.514 12.181 2.586 1.00 0.00 H new ATOM 0 HH12 ARG A 400 5.819 13.034 1.755 1.00 0.00 H new ATOM 0 HH21 ARG A 400 8.377 11.590 3.702 1.00 0.00 H new ATOM 0 HH22 ARG A 400 7.993 12.701 2.383 1.00 0.00 H new ATOM 538 N THR A 401 5.836 6.461 6.535 1.00 0.00 N ATOM 539 CA THR A 401 6.061 6.058 7.916 1.00 0.00 C ATOM 540 C THR A 401 5.384 4.725 8.215 1.00 0.00 C ATOM 541 O THR A 401 4.296 4.444 7.711 1.00 0.00 O ATOM 542 CB THR A 401 5.540 7.121 8.905 1.00 0.00 C ATOM 543 OG1 THR A 401 4.578 7.963 8.257 1.00 0.00 O ATOM 544 CG2 THR A 401 6.683 7.971 9.439 1.00 0.00 C ATOM 0 H THR A 401 5.024 6.027 6.096 1.00 0.00 H new ATOM 0 HA THR A 401 7.138 5.953 8.044 1.00 0.00 H new ATOM 0 HB THR A 401 5.069 6.606 9.742 1.00 0.00 H new ATOM 0 HG1 THR A 401 4.251 8.634 8.892 1.00 0.00 H new ATOM 0 HG21 THR A 401 6.291 8.713 10.134 1.00 0.00 H new ATOM 0 HG22 THR A 401 7.400 7.333 9.956 1.00 0.00 H new ATOM 0 HG23 THR A 401 7.178 8.477 8.610 1.00 0.00 H new ATOM 552 N GLN A 402 6.033 3.906 9.036 1.00 0.00 N ATOM 553 CA GLN A 402 5.493 2.602 9.401 1.00 0.00 C ATOM 554 C GLN A 402 4.396 2.740 10.450 1.00 0.00 C ATOM 555 O GLN A 402 4.604 3.344 11.503 1.00 0.00 O ATOM 556 CB GLN A 402 6.607 1.694 9.925 1.00 0.00 C ATOM 557 CG GLN A 402 7.758 1.514 8.949 1.00 0.00 C ATOM 558 CD GLN A 402 8.760 0.477 9.413 1.00 0.00 C ATOM 559 OE1 GLN A 402 8.393 -0.527 10.024 1.00 0.00 O ATOM 560 NE2 GLN A 402 10.034 0.713 9.122 1.00 0.00 N ATOM 0 H GLN A 402 6.934 4.123 9.461 1.00 0.00 H new ATOM 0 HA GLN A 402 5.059 2.154 8.507 1.00 0.00 H new ATOM 0 HB2 GLN A 402 6.993 2.108 10.856 1.00 0.00 H new ATOM 0 HB3 GLN A 402 6.186 0.717 10.161 1.00 0.00 H new ATOM 0 HG2 GLN A 402 7.362 1.221 7.976 1.00 0.00 H new ATOM 0 HG3 GLN A 402 8.266 2.469 8.812 1.00 0.00 H new ATOM 0 HE21 GLN A 402 10.293 1.559 8.614 1.00 0.00 H new ATOM 0 HE22 GLN A 402 10.754 0.049 9.407 1.00 0.00 H new ATOM 569 N GLY A 403 3.227 2.179 10.157 1.00 0.00 N ATOM 570 CA GLY A 403 2.114 2.251 11.087 1.00 0.00 C ATOM 571 C GLY A 403 0.981 3.112 10.567 1.00 0.00 C ATOM 572 O GLY A 403 -0.180 2.897 10.912 1.00 0.00 O ATOM 0 H GLY A 403 3.030 1.676 9.292 1.00 0.00 H new ATOM 0 HA2 GLY A 403 1.742 1.245 11.283 1.00 0.00 H new ATOM 0 HA3 GLY A 403 2.464 2.652 12.038 1.00 0.00 H new ATOM 576 N LEU A 404 1.319 4.093 9.735 1.00 0.00 N ATOM 577 CA LEU A 404 0.321 4.991 9.166 1.00 0.00 C ATOM 578 C LEU A 404 -0.705 4.216 8.347 1.00 0.00 C ATOM 579 O LEU A 404 -1.870 4.605 8.264 1.00 0.00 O ATOM 580 CB LEU A 404 0.996 6.049 8.290 1.00 0.00 C ATOM 581 CG LEU A 404 0.049 7.078 7.671 1.00 0.00 C ATOM 582 CD1 LEU A 404 -0.649 7.881 8.757 1.00 0.00 C ATOM 583 CD2 LEU A 404 0.808 7.999 6.729 1.00 0.00 C ATOM 0 H LEU A 404 2.276 4.286 9.440 1.00 0.00 H new ATOM 0 HA LEU A 404 -0.196 5.486 9.988 1.00 0.00 H new ATOM 0 HB2 LEU A 404 1.738 6.576 8.890 1.00 0.00 H new ATOM 0 HB3 LEU A 404 1.534 5.545 7.488 1.00 0.00 H new ATOM 0 HG LEU A 404 -0.710 6.547 7.096 1.00 0.00 H new ATOM 0 HD11 LEU A 404 -1.319 8.608 8.298 1.00 0.00 H new ATOM 0 HD12 LEU A 404 -1.224 7.209 9.394 1.00 0.00 H new ATOM 0 HD13 LEU A 404 0.095 8.402 9.359 1.00 0.00 H new ATOM 0 HD21 LEU A 404 0.119 8.725 6.297 1.00 0.00 H new ATOM 0 HD22 LEU A 404 1.588 8.523 7.282 1.00 0.00 H new ATOM 0 HD23 LEU A 404 1.262 7.410 5.932 1.00 0.00 H new ATOM 595 N LEU A 405 -0.264 3.119 7.741 1.00 0.00 N ATOM 596 CA LEU A 405 -1.143 2.287 6.927 1.00 0.00 C ATOM 597 C LEU A 405 -2.316 1.765 7.750 1.00 0.00 C ATOM 598 O LEU A 405 -3.468 1.834 7.323 1.00 0.00 O ATOM 599 CB LEU A 405 -0.363 1.116 6.328 1.00 0.00 C ATOM 600 CG LEU A 405 -1.043 0.417 5.151 1.00 0.00 C ATOM 601 CD1 LEU A 405 -0.007 -0.096 4.164 1.00 0.00 C ATOM 602 CD2 LEU A 405 -1.922 -0.724 5.644 1.00 0.00 C ATOM 0 H LEU A 405 0.698 2.785 7.798 1.00 0.00 H new ATOM 0 HA LEU A 405 -1.537 2.903 6.118 1.00 0.00 H new ATOM 0 HB2 LEU A 405 0.612 1.478 6.001 1.00 0.00 H new ATOM 0 HB3 LEU A 405 -0.183 0.381 7.112 1.00 0.00 H new ATOM 0 HG LEU A 405 -1.675 1.142 4.639 1.00 0.00 H new ATOM 0 HD11 LEU A 405 -0.510 -0.591 3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 405 0.581 0.740 3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 405 0.652 -0.806 4.664 1.00 0.00 H new ATOM 0 HD21 LEU A 405 -2.398 -1.210 4.793 1.00 0.00 H new ATOM 0 HD22 LEU A 405 -1.310 -1.449 6.181 1.00 0.00 H new ATOM 0 HD23 LEU A 405 -2.688 -0.331 6.312 1.00 0.00 H new ATOM 614 N SER A 406 -2.014 1.241 8.934 1.00 0.00 N ATOM 615 CA SER A 406 -3.044 0.708 9.819 1.00 0.00 C ATOM 616 C SER A 406 -3.993 1.812 10.277 1.00 0.00 C ATOM 617 O SER A 406 -5.176 1.567 10.515 1.00 0.00 O ATOM 618 CB SER A 406 -2.404 0.033 11.033 1.00 0.00 C ATOM 619 OG SER A 406 -3.114 -1.137 11.401 1.00 0.00 O ATOM 0 H SER A 406 -1.065 1.174 9.302 1.00 0.00 H new ATOM 0 HA SER A 406 -3.619 -0.032 9.262 1.00 0.00 H new ATOM 0 HB2 SER A 406 -1.369 -0.222 10.807 1.00 0.00 H new ATOM 0 HB3 SER A 406 -2.385 0.729 11.872 1.00 0.00 H new ATOM 0 HG SER A 406 -2.536 -1.713 11.944 1.00 0.00 H new ATOM 625 N GLU A 407 -3.466 3.026 10.400 1.00 0.00 N ATOM 626 CA GLU A 407 -4.267 4.166 10.829 1.00 0.00 C ATOM 627 C GLU A 407 -5.292 4.544 9.766 1.00 0.00 C ATOM 628 O GLU A 407 -6.432 4.885 10.082 1.00 0.00 O ATOM 629 CB GLU A 407 -3.363 5.364 11.131 1.00 0.00 C ATOM 630 CG GLU A 407 -3.867 6.233 12.271 1.00 0.00 C ATOM 631 CD GLU A 407 -3.804 5.530 13.613 1.00 0.00 C ATOM 632 OE1 GLU A 407 -4.732 4.753 13.920 1.00 0.00 O ATOM 633 OE2 GLU A 407 -2.825 5.756 14.356 1.00 0.00 O ATOM 0 H GLU A 407 -2.488 3.245 10.209 1.00 0.00 H new ATOM 0 HA GLU A 407 -4.801 3.882 11.736 1.00 0.00 H new ATOM 0 HB2 GLU A 407 -2.364 5.003 11.375 1.00 0.00 H new ATOM 0 HB3 GLU A 407 -3.271 5.975 10.233 1.00 0.00 H new ATOM 0 HG2 GLU A 407 -3.274 7.147 12.316 1.00 0.00 H new ATOM 0 HG3 GLU A 407 -4.896 6.530 12.069 1.00 0.00 H new ATOM 640 N ILE A 408 -4.880 4.480 8.504 1.00 0.00 N ATOM 641 CA ILE A 408 -5.764 4.816 7.394 1.00 0.00 C ATOM 642 C ILE A 408 -6.926 3.833 7.303 1.00 0.00 C ATOM 643 O ILE A 408 -8.047 4.211 6.960 1.00 0.00 O ATOM 644 CB ILE A 408 -5.005 4.824 6.053 1.00 0.00 C ATOM 645 CG1 ILE A 408 -3.756 5.703 6.152 1.00 0.00 C ATOM 646 CG2 ILE A 408 -5.912 5.310 4.931 1.00 0.00 C ATOM 647 CD1 ILE A 408 -2.580 5.173 5.358 1.00 0.00 C ATOM 0 H ILE A 408 -3.940 4.199 8.225 1.00 0.00 H new ATOM 0 HA ILE A 408 -6.151 5.816 7.588 1.00 0.00 H new ATOM 0 HB ILE A 408 -4.693 3.805 5.826 1.00 0.00 H new ATOM 0 HG12 ILE A 408 -3.999 6.706 5.801 1.00 0.00 H new ATOM 0 HG13 ILE A 408 -3.467 5.793 7.199 1.00 0.00 H new ATOM 0 HG21 ILE A 408 -5.360 5.309 3.991 1.00 0.00 H new ATOM 0 HG22 ILE A 408 -6.773 4.647 4.847 1.00 0.00 H new ATOM 0 HG23 ILE A 408 -6.253 6.322 5.151 1.00 0.00 H new ATOM 0 HD11 ILE A 408 -1.730 5.845 5.474 1.00 0.00 H new ATOM 0 HD12 ILE A 408 -2.311 4.182 5.724 1.00 0.00 H new ATOM 0 HD13 ILE A 408 -2.851 5.110 4.304 1.00 0.00 H new ATOM 659 N LEU A 409 -6.653 2.570 7.613 1.00 0.00 N ATOM 660 CA LEU A 409 -7.677 1.533 7.566 1.00 0.00 C ATOM 661 C LEU A 409 -8.571 1.594 8.800 1.00 0.00 C ATOM 662 O LEU A 409 -9.771 1.331 8.723 1.00 0.00 O ATOM 663 CB LEU A 409 -7.027 0.151 7.461 1.00 0.00 C ATOM 664 CG LEU A 409 -5.992 0.005 6.345 1.00 0.00 C ATOM 665 CD1 LEU A 409 -5.291 -1.341 6.441 1.00 0.00 C ATOM 666 CD2 LEU A 409 -6.651 0.169 4.984 1.00 0.00 C ATOM 0 H LEU A 409 -5.731 2.240 7.899 1.00 0.00 H new ATOM 0 HA LEU A 409 -8.294 1.706 6.684 1.00 0.00 H new ATOM 0 HB2 LEU A 409 -6.548 -0.082 8.412 1.00 0.00 H new ATOM 0 HB3 LEU A 409 -7.810 -0.591 7.308 1.00 0.00 H new ATOM 0 HG LEU A 409 -5.245 0.790 6.462 1.00 0.00 H new ATOM 0 HD11 LEU A 409 -4.558 -1.427 5.639 1.00 0.00 H new ATOM 0 HD12 LEU A 409 -4.786 -1.421 7.404 1.00 0.00 H new ATOM 0 HD13 LEU A 409 -6.025 -2.141 6.349 1.00 0.00 H new ATOM 0 HD21 LEU A 409 -5.900 0.062 4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 409 -7.419 -0.594 4.857 1.00 0.00 H new ATOM 0 HD23 LEU A 409 -7.107 1.157 4.917 1.00 0.00 H new ATOM 678 N ARG A 410 -7.978 1.943 9.937 1.00 0.00 N ATOM 679 CA ARG A 410 -8.721 2.039 11.187 1.00 0.00 C ATOM 680 C ARG A 410 -9.792 3.122 11.104 1.00 0.00 C ATOM 681 O ARG A 410 -10.906 2.947 11.599 1.00 0.00 O ATOM 682 CB ARG A 410 -7.768 2.332 12.349 1.00 0.00 C ATOM 683 CG ARG A 410 -7.835 1.302 13.465 1.00 0.00 C ATOM 684 CD ARG A 410 -7.450 -0.082 12.970 1.00 0.00 C ATOM 685 NE ARG A 410 -6.006 -0.300 13.019 1.00 0.00 N ATOM 686 CZ ARG A 410 -5.339 -0.604 14.130 1.00 0.00 C ATOM 687 NH1 ARG A 410 -5.982 -0.731 15.284 1.00 0.00 N ATOM 688 NH2 ARG A 410 -4.026 -0.781 14.087 1.00 0.00 N ATOM 0 H ARG A 410 -6.985 2.164 10.018 1.00 0.00 H new ATOM 0 HA ARG A 410 -9.213 1.083 11.362 1.00 0.00 H new ATOM 0 HB2 ARG A 410 -6.748 2.377 11.969 1.00 0.00 H new ATOM 0 HB3 ARG A 410 -7.999 3.315 12.759 1.00 0.00 H new ATOM 0 HG2 ARG A 410 -7.169 1.598 14.275 1.00 0.00 H new ATOM 0 HG3 ARG A 410 -8.844 1.275 13.876 1.00 0.00 H new ATOM 0 HD2 ARG A 410 -7.951 -0.836 13.577 1.00 0.00 H new ATOM 0 HD3 ARG A 410 -7.801 -0.211 11.946 1.00 0.00 H new ATOM 0 HE ARG A 410 -5.478 -0.214 12.151 1.00 0.00 H new ATOM 0 HH11 ARG A 410 -6.992 -0.596 15.323 1.00 0.00 H new ATOM 0 HH12 ARG A 410 -5.466 -0.964 16.132 1.00 0.00 H new ATOM 0 HH21 ARG A 410 -3.527 -0.684 13.203 1.00 0.00 H new ATOM 0 HH22 ARG A 410 -3.515 -1.014 14.938 1.00 0.00 H new ATOM 702 N LYS A 411 -9.448 4.242 10.475 1.00 0.00 N ATOM 703 CA LYS A 411 -10.380 5.353 10.328 1.00 0.00 C ATOM 704 C LYS A 411 -11.484 5.010 9.331 1.00 0.00 C ATOM 705 O LYS A 411 -12.657 5.299 9.565 1.00 0.00 O ATOM 706 CB LYS A 411 -9.639 6.611 9.871 1.00 0.00 C ATOM 707 CG LYS A 411 -8.741 7.210 10.943 1.00 0.00 C ATOM 708 CD LYS A 411 -8.836 8.728 10.967 1.00 0.00 C ATOM 709 CE LYS A 411 -7.670 9.370 10.232 1.00 0.00 C ATOM 710 NZ LYS A 411 -7.956 10.786 9.870 1.00 0.00 N ATOM 0 H LYS A 411 -8.531 4.403 10.059 1.00 0.00 H new ATOM 0 HA LYS A 411 -10.837 5.541 11.299 1.00 0.00 H new ATOM 0 HB2 LYS A 411 -9.035 6.370 8.996 1.00 0.00 H new ATOM 0 HB3 LYS A 411 -10.368 7.359 9.559 1.00 0.00 H new ATOM 0 HG2 LYS A 411 -9.021 6.812 11.918 1.00 0.00 H new ATOM 0 HG3 LYS A 411 -7.708 6.912 10.762 1.00 0.00 H new ATOM 0 HD2 LYS A 411 -9.774 9.042 10.509 1.00 0.00 H new ATOM 0 HD3 LYS A 411 -8.853 9.076 12.000 1.00 0.00 H new ATOM 0 HE2 LYS A 411 -6.779 9.328 10.858 1.00 0.00 H new ATOM 0 HE3 LYS A 411 -7.452 8.801 9.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 -7.137 11.189 9.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 -8.792 10.824 9.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 -8.139 11.335 10.734 1.00 0.00 H new ATOM 724 N GLU A 412 -11.099 4.390 8.221 1.00 0.00 N ATOM 725 CA GLU A 412 -12.056 4.007 7.189 1.00 0.00 C ATOM 726 C GLU A 412 -12.778 5.230 6.633 1.00 0.00 C ATOM 727 O GLU A 412 -13.955 5.163 6.280 1.00 0.00 O ATOM 728 CB GLU A 412 -13.074 3.013 7.751 1.00 0.00 C ATOM 729 CG GLU A 412 -13.537 1.978 6.738 1.00 0.00 C ATOM 730 CD GLU A 412 -14.417 0.909 7.357 1.00 0.00 C ATOM 731 OE1 GLU A 412 -14.096 0.447 8.472 1.00 0.00 O ATOM 732 OE2 GLU A 412 -15.429 0.537 6.727 1.00 0.00 O ATOM 0 H GLU A 412 -10.132 4.142 8.013 1.00 0.00 H new ATOM 0 HA GLU A 412 -11.504 3.533 6.377 1.00 0.00 H new ATOM 0 HB2 GLU A 412 -12.635 2.500 8.607 1.00 0.00 H new ATOM 0 HB3 GLU A 412 -13.941 3.562 8.119 1.00 0.00 H new ATOM 0 HG2 GLU A 412 -14.085 2.477 5.939 1.00 0.00 H new ATOM 0 HG3 GLU A 412 -12.666 1.507 6.281 1.00 0.00 H new ATOM 739 N GLU A 413 -12.064 6.350 6.560 1.00 0.00 N ATOM 740 CA GLU A 413 -12.637 7.588 6.046 1.00 0.00 C ATOM 741 C GLU A 413 -12.382 7.727 4.548 1.00 0.00 C ATOM 742 O GLU A 413 -11.319 7.351 4.051 1.00 0.00 O ATOM 743 CB GLU A 413 -12.050 8.791 6.789 1.00 0.00 C ATOM 744 CG GLU A 413 -13.062 9.896 7.053 1.00 0.00 C ATOM 745 CD GLU A 413 -13.301 10.128 8.531 1.00 0.00 C ATOM 746 OE1 GLU A 413 -12.367 10.596 9.217 1.00 0.00 O ATOM 747 OE2 GLU A 413 -14.421 9.844 9.004 1.00 0.00 O ATOM 0 H GLU A 413 -11.089 6.425 6.850 1.00 0.00 H new ATOM 0 HA GLU A 413 -13.714 7.556 6.210 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -11.636 8.454 7.739 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -11.223 9.198 6.208 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -12.711 10.821 6.596 1.00 0.00 H new ATOM 0 HG3 GLU A 413 -14.006 9.641 6.572 1.00 0.00 H new ATOM 754 N ASP A 414 -13.363 8.268 3.834 1.00 0.00 N ATOM 755 CA ASP A 414 -13.245 8.456 2.391 1.00 0.00 C ATOM 756 C ASP A 414 -12.287 9.600 2.067 1.00 0.00 C ATOM 757 O ASP A 414 -12.160 10.553 2.836 1.00 0.00 O ATOM 758 CB ASP A 414 -14.618 8.737 1.780 1.00 0.00 C ATOM 759 CG ASP A 414 -15.333 7.470 1.354 1.00 0.00 C ATOM 760 OD1 ASP A 414 -14.653 6.534 0.886 1.00 0.00 O ATOM 761 OD2 ASP A 414 -16.574 7.415 1.488 1.00 0.00 O ATOM 0 H ASP A 414 -14.248 8.584 4.230 1.00 0.00 H new ATOM 0 HA ASP A 414 -12.844 7.538 1.961 1.00 0.00 H new ATOM 0 HB2 ASP A 414 -15.232 9.271 2.505 1.00 0.00 H new ATOM 0 HB3 ASP A 414 -14.501 9.392 0.917 1.00 0.00 H new ATOM 766 N PRO A 415 -11.598 9.520 0.915 1.00 0.00 N ATOM 767 CA PRO A 415 -10.648 10.553 0.490 1.00 0.00 C ATOM 768 C PRO A 415 -11.339 11.848 0.070 1.00 0.00 C ATOM 769 O PRO A 415 -10.688 12.877 -0.112 1.00 0.00 O ATOM 770 CB PRO A 415 -9.943 9.913 -0.710 1.00 0.00 C ATOM 771 CG PRO A 415 -10.927 8.935 -1.248 1.00 0.00 C ATOM 772 CD PRO A 415 -11.691 8.417 -0.061 1.00 0.00 C ATOM 0 HA PRO A 415 -9.975 10.841 1.298 1.00 0.00 H new ATOM 0 HB2 PRO A 415 -9.678 10.660 -1.458 1.00 0.00 H new ATOM 0 HB3 PRO A 415 -9.018 9.420 -0.410 1.00 0.00 H new ATOM 0 HG2 PRO A 415 -11.596 9.410 -1.965 1.00 0.00 H new ATOM 0 HG3 PRO A 415 -10.423 8.123 -1.772 1.00 0.00 H new ATOM 0 HD2 PRO A 415 -12.727 8.193 -0.317 1.00 0.00 H new ATOM 0 HD3 PRO A 415 -11.253 7.498 0.329 1.00 0.00 H new ATOM 780 N LYS A 416 -12.659 11.794 -0.081 1.00 0.00 N ATOM 781 CA LYS A 416 -13.431 12.966 -0.480 1.00 0.00 C ATOM 782 C LYS A 416 -13.443 14.015 0.628 1.00 0.00 C ATOM 783 O LYS A 416 -13.366 15.213 0.363 1.00 0.00 O ATOM 784 CB LYS A 416 -14.865 12.562 -0.832 1.00 0.00 C ATOM 785 CG LYS A 416 -15.061 12.238 -2.305 1.00 0.00 C ATOM 786 CD LYS A 416 -15.892 13.301 -3.006 1.00 0.00 C ATOM 787 CE LYS A 416 -16.850 12.685 -4.013 1.00 0.00 C ATOM 788 NZ LYS A 416 -18.171 13.373 -4.016 1.00 0.00 N ATOM 0 H LYS A 416 -13.216 10.952 0.067 1.00 0.00 H new ATOM 0 HA LYS A 416 -12.956 13.400 -1.360 1.00 0.00 H new ATOM 0 HB2 LYS A 416 -15.145 11.693 -0.237 1.00 0.00 H new ATOM 0 HB3 LYS A 416 -15.540 13.371 -0.553 1.00 0.00 H new ATOM 0 HG2 LYS A 416 -14.090 12.155 -2.792 1.00 0.00 H new ATOM 0 HG3 LYS A 416 -15.551 11.269 -2.403 1.00 0.00 H new ATOM 0 HD2 LYS A 416 -16.456 13.870 -2.267 1.00 0.00 H new ATOM 0 HD3 LYS A 416 -15.232 14.004 -3.513 1.00 0.00 H new ATOM 0 HE2 LYS A 416 -16.412 12.737 -5.010 1.00 0.00 H new ATOM 0 HE3 LYS A 416 -16.991 11.629 -3.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 416 -18.795 12.923 -4.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 416 -18.601 13.302 -3.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 416 -18.040 14.375 -4.262 1.00 0.00 H new ATOM 802 N THR A 417 -13.543 13.554 1.871 1.00 0.00 N ATOM 803 CA THR A 417 -13.567 14.454 3.018 1.00 0.00 C ATOM 804 C THR A 417 -12.197 14.534 3.688 1.00 0.00 C ATOM 805 O THR A 417 -11.863 15.538 4.317 1.00 0.00 O ATOM 806 CB THR A 417 -14.608 14.008 4.061 1.00 0.00 C ATOM 807 OG1 THR A 417 -15.772 13.495 3.404 1.00 0.00 O ATOM 808 CG2 THR A 417 -14.999 15.167 4.966 1.00 0.00 C ATOM 0 H THR A 417 -13.609 12.564 2.109 1.00 0.00 H new ATOM 0 HA THR A 417 -13.841 15.438 2.638 1.00 0.00 H new ATOM 0 HB THR A 417 -14.163 13.224 4.674 1.00 0.00 H new ATOM 0 HG1 THR A 417 -16.428 13.212 4.075 1.00 0.00 H new ATOM 0 HG21 THR A 417 -15.735 14.827 5.694 1.00 0.00 H new ATOM 0 HG22 THR A 417 -14.116 15.535 5.488 1.00 0.00 H new ATOM 0 HG23 THR A 417 -15.427 15.970 4.365 1.00 0.00 H new ATOM 816 N ALA A 418 -11.411 13.470 3.551 1.00 0.00 N ATOM 817 CA ALA A 418 -10.079 13.421 4.144 1.00 0.00 C ATOM 818 C ALA A 418 -9.227 14.602 3.688 1.00 0.00 C ATOM 819 O ALA A 418 -9.659 15.409 2.864 1.00 0.00 O ATOM 820 CB ALA A 418 -9.396 12.109 3.795 1.00 0.00 C ATOM 0 H ALA A 418 -11.674 12.631 3.035 1.00 0.00 H new ATOM 0 HA ALA A 418 -10.189 13.486 5.227 1.00 0.00 H new ATOM 0 HB1 ALA A 418 -8.403 12.085 4.244 1.00 0.00 H new ATOM 0 HB2 ALA A 418 -9.987 11.278 4.179 1.00 0.00 H new ATOM 0 HB3 ALA A 418 -9.307 12.022 2.712 1.00 0.00 H new ATOM 826 N SER A 419 -8.017 14.696 4.228 1.00 0.00 N ATOM 827 CA SER A 419 -7.106 15.778 3.876 1.00 0.00 C ATOM 828 C SER A 419 -6.359 15.463 2.583 1.00 0.00 C ATOM 829 O SER A 419 -6.505 14.379 2.019 1.00 0.00 O ATOM 830 CB SER A 419 -6.106 16.018 5.009 1.00 0.00 C ATOM 831 OG SER A 419 -5.183 17.039 4.668 1.00 0.00 O ATOM 0 H SER A 419 -7.645 14.036 4.911 1.00 0.00 H new ATOM 0 HA SER A 419 -7.697 16.681 3.722 1.00 0.00 H new ATOM 0 HB2 SER A 419 -6.641 16.296 5.917 1.00 0.00 H new ATOM 0 HB3 SER A 419 -5.568 15.095 5.225 1.00 0.00 H new ATOM 0 HG SER A 419 -4.556 17.174 5.409 1.00 0.00 H new ATOM 837 N GLN A 420 -5.560 16.418 2.119 1.00 0.00 N ATOM 838 CA GLN A 420 -4.791 16.244 0.893 1.00 0.00 C ATOM 839 C GLN A 420 -3.662 15.238 1.098 1.00 0.00 C ATOM 840 O GLN A 420 -3.273 14.529 0.169 1.00 0.00 O ATOM 841 CB GLN A 420 -4.220 17.587 0.429 1.00 0.00 C ATOM 842 CG GLN A 420 -4.503 17.895 -1.032 1.00 0.00 C ATOM 843 CD GLN A 420 -3.306 18.495 -1.744 1.00 0.00 C ATOM 844 OE1 GLN A 420 -2.201 17.957 -1.685 1.00 0.00 O ATOM 845 NE2 GLN A 420 -3.522 19.616 -2.421 1.00 0.00 N ATOM 0 H GLN A 420 -5.428 17.321 2.574 1.00 0.00 H new ATOM 0 HA GLN A 420 -5.460 15.858 0.124 1.00 0.00 H new ATOM 0 HB2 GLN A 420 -4.636 18.383 1.047 1.00 0.00 H new ATOM 0 HB3 GLN A 420 -3.142 17.589 0.590 1.00 0.00 H new ATOM 0 HG2 GLN A 420 -4.802 16.979 -1.541 1.00 0.00 H new ATOM 0 HG3 GLN A 420 -5.344 18.586 -1.098 1.00 0.00 H new ATOM 0 HE21 GLN A 420 -4.455 20.027 -2.442 1.00 0.00 H new ATOM 0 HE22 GLN A 420 -2.755 20.066 -2.920 1.00 0.00 H new ATOM 854 N SER A 421 -3.140 15.180 2.319 1.00 0.00 N ATOM 855 CA SER A 421 -2.054 14.262 2.645 1.00 0.00 C ATOM 856 C SER A 421 -2.467 12.816 2.379 1.00 0.00 C ATOM 857 O SER A 421 -1.722 12.050 1.770 1.00 0.00 O ATOM 858 CB SER A 421 -1.643 14.424 4.109 1.00 0.00 C ATOM 859 OG SER A 421 -1.752 15.776 4.521 1.00 0.00 O ATOM 0 H SER A 421 -3.452 15.758 3.099 1.00 0.00 H new ATOM 0 HA SER A 421 -1.204 14.503 2.007 1.00 0.00 H new ATOM 0 HB2 SER A 421 -2.273 13.796 4.739 1.00 0.00 H new ATOM 0 HB3 SER A 421 -0.617 14.081 4.242 1.00 0.00 H new ATOM 0 HG SER A 421 -1.486 15.854 5.461 1.00 0.00 H new ATOM 865 N LEU A 422 -3.660 12.454 2.838 1.00 0.00 N ATOM 866 CA LEU A 422 -4.173 11.102 2.648 1.00 0.00 C ATOM 867 C LEU A 422 -4.399 10.811 1.168 1.00 0.00 C ATOM 868 O LEU A 422 -4.136 9.707 0.694 1.00 0.00 O ATOM 869 CB LEU A 422 -5.477 10.913 3.423 1.00 0.00 C ATOM 870 CG LEU A 422 -5.946 9.464 3.560 1.00 0.00 C ATOM 871 CD1 LEU A 422 -5.203 8.767 4.690 1.00 0.00 C ATOM 872 CD2 LEU A 422 -7.448 9.409 3.794 1.00 0.00 C ATOM 0 H LEU A 422 -4.289 13.077 3.344 1.00 0.00 H new ATOM 0 HA LEU A 422 -3.430 10.401 3.029 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -5.353 11.334 4.421 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -6.261 11.487 2.930 1.00 0.00 H new ATOM 0 HG LEU A 422 -5.724 8.941 2.630 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -5.550 7.737 4.773 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -4.133 8.774 4.481 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -5.393 9.290 5.627 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -7.764 8.370 3.889 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -7.694 9.948 4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -7.965 9.870 2.952 1.00 0.00 H new ATOM 884 N LEU A 423 -4.890 11.811 0.443 1.00 0.00 N ATOM 885 CA LEU A 423 -5.152 11.664 -0.984 1.00 0.00 C ATOM 886 C LEU A 423 -3.872 11.313 -1.737 1.00 0.00 C ATOM 887 O LEU A 423 -3.908 10.614 -2.750 1.00 0.00 O ATOM 888 CB LEU A 423 -5.753 12.954 -1.550 1.00 0.00 C ATOM 889 CG LEU A 423 -7.253 13.128 -1.309 1.00 0.00 C ATOM 890 CD1 LEU A 423 -7.582 14.583 -1.012 1.00 0.00 C ATOM 891 CD2 LEU A 423 -8.044 12.637 -2.513 1.00 0.00 C ATOM 0 H LEU A 423 -5.114 12.732 0.820 1.00 0.00 H new ATOM 0 HA LEU A 423 -5.866 10.851 -1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 423 -5.229 13.804 -1.112 1.00 0.00 H new ATOM 0 HB3 LEU A 423 -5.567 12.983 -2.624 1.00 0.00 H new ATOM 0 HG LEU A 423 -7.535 12.530 -0.442 1.00 0.00 H new ATOM 0 HD11 LEU A 423 -8.654 14.687 -0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 423 -7.042 14.904 -0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 423 -7.286 15.203 -1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 423 -9.110 12.768 -2.326 1.00 0.00 H new ATOM 0 HD22 LEU A 423 -7.757 13.210 -3.395 1.00 0.00 H new ATOM 0 HD23 LEU A 423 -7.832 11.581 -2.682 1.00 0.00 H new ATOM 903 N VAL A 424 -2.744 11.800 -1.233 1.00 0.00 N ATOM 904 CA VAL A 424 -1.453 11.538 -1.855 1.00 0.00 C ATOM 905 C VAL A 424 -1.001 10.104 -1.597 1.00 0.00 C ATOM 906 O VAL A 424 -0.576 9.403 -2.515 1.00 0.00 O ATOM 907 CB VAL A 424 -0.372 12.507 -1.337 1.00 0.00 C ATOM 908 CG1 VAL A 424 0.929 12.321 -2.103 1.00 0.00 C ATOM 909 CG2 VAL A 424 -0.852 13.947 -1.435 1.00 0.00 C ATOM 0 H VAL A 424 -2.698 12.379 -0.394 1.00 0.00 H new ATOM 0 HA VAL A 424 -1.581 11.689 -2.927 1.00 0.00 H new ATOM 0 HB VAL A 424 -0.184 12.280 -0.288 1.00 0.00 H new ATOM 0 HG11 VAL A 424 1.678 13.015 -1.721 1.00 0.00 H new ATOM 0 HG12 VAL A 424 1.283 11.298 -1.976 1.00 0.00 H new ATOM 0 HG13 VAL A 424 0.759 12.517 -3.162 1.00 0.00 H new ATOM 0 HG21 VAL A 424 -0.075 14.616 -1.065 1.00 0.00 H new ATOM 0 HG22 VAL A 424 -1.072 14.187 -2.475 1.00 0.00 H new ATOM 0 HG23 VAL A 424 -1.754 14.072 -0.836 1.00 0.00 H new ATOM 919 N ASN A 425 -1.096 9.677 -0.344 1.00 0.00 N ATOM 920 CA ASN A 425 -0.697 8.326 0.037 1.00 0.00 C ATOM 921 C ASN A 425 -1.576 7.287 -0.651 1.00 0.00 C ATOM 922 O ASN A 425 -1.086 6.265 -1.133 1.00 0.00 O ATOM 923 CB ASN A 425 -0.776 8.156 1.554 1.00 0.00 C ATOM 924 CG ASN A 425 0.546 8.443 2.239 1.00 0.00 C ATOM 925 OD1 ASN A 425 1.614 8.191 1.681 1.00 0.00 O ATOM 926 ND2 ASN A 425 0.482 8.973 3.454 1.00 0.00 N ATOM 0 H ASN A 425 -1.446 10.246 0.427 1.00 0.00 H new ATOM 0 HA ASN A 425 0.334 8.174 -0.283 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -1.540 8.823 1.952 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -1.089 7.138 1.787 1.00 0.00 H new ATOM 0 HD21 ASN A 425 1.340 9.188 3.963 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -0.425 9.166 3.879 1.00 0.00 H new ATOM 933 N LEU A 426 -2.878 7.553 -0.693 1.00 0.00 N ATOM 934 CA LEU A 426 -3.825 6.641 -1.322 1.00 0.00 C ATOM 935 C LEU A 426 -3.492 6.444 -2.797 1.00 0.00 C ATOM 936 O LEU A 426 -3.670 5.355 -3.344 1.00 0.00 O ATOM 937 CB LEU A 426 -5.252 7.171 -1.176 1.00 0.00 C ATOM 938 CG LEU A 426 -5.839 7.069 0.232 1.00 0.00 C ATOM 939 CD1 LEU A 426 -7.170 7.803 0.311 1.00 0.00 C ATOM 940 CD2 LEU A 426 -6.009 5.612 0.635 1.00 0.00 C ATOM 0 H LEU A 426 -3.301 8.393 -0.298 1.00 0.00 H new ATOM 0 HA LEU A 426 -3.751 5.677 -0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 426 -5.269 8.216 -1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 426 -5.898 6.625 -1.863 1.00 0.00 H new ATOM 0 HG LEU A 426 -5.145 7.540 0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 426 -7.572 7.719 1.321 1.00 0.00 H new ATOM 0 HD12 LEU A 426 -7.021 8.855 0.066 1.00 0.00 H new ATOM 0 HD13 LEU A 426 -7.872 7.362 -0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 426 -6.428 5.559 1.640 1.00 0.00 H new ATOM 0 HD22 LEU A 426 -6.682 5.117 -0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 426 -5.039 5.115 0.619 1.00 0.00 H new ATOM 952 N ARG A 427 -3.009 7.503 -3.436 1.00 0.00 N ATOM 953 CA ARG A 427 -2.651 7.448 -4.849 1.00 0.00 C ATOM 954 C ARG A 427 -1.507 6.465 -5.081 1.00 0.00 C ATOM 955 O ARG A 427 -1.494 5.735 -6.072 1.00 0.00 O ATOM 956 CB ARG A 427 -2.255 8.838 -5.352 1.00 0.00 C ATOM 957 CG ARG A 427 -2.718 9.125 -6.772 1.00 0.00 C ATOM 958 CD ARG A 427 -2.094 10.400 -7.313 1.00 0.00 C ATOM 959 NE ARG A 427 -2.108 10.440 -8.774 1.00 0.00 N ATOM 960 CZ ARG A 427 -1.354 11.261 -9.500 1.00 0.00 C ATOM 961 NH1 ARG A 427 -0.524 12.110 -8.907 1.00 0.00 N ATOM 962 NH2 ARG A 427 -1.428 11.232 -10.824 1.00 0.00 N ATOM 0 H ARG A 427 -2.856 8.411 -2.998 1.00 0.00 H new ATOM 0 HA ARG A 427 -3.522 7.103 -5.406 1.00 0.00 H new ATOM 0 HB2 ARG A 427 -2.673 9.590 -4.683 1.00 0.00 H new ATOM 0 HB3 ARG A 427 -1.171 8.937 -5.305 1.00 0.00 H new ATOM 0 HG2 ARG A 427 -2.455 8.287 -7.418 1.00 0.00 H new ATOM 0 HG3 ARG A 427 -3.804 9.214 -6.791 1.00 0.00 H new ATOM 0 HD2 ARG A 427 -2.634 11.262 -6.922 1.00 0.00 H new ATOM 0 HD3 ARG A 427 -1.066 10.480 -6.958 1.00 0.00 H new ATOM 0 HE ARG A 427 -2.733 9.801 -9.266 1.00 0.00 H new ATOM 0 HH11 ARG A 427 -0.462 12.135 -7.889 1.00 0.00 H new ATOM 0 HH12 ARG A 427 0.052 12.737 -9.469 1.00 0.00 H new ATOM 0 HH21 ARG A 427 -2.063 10.580 -11.285 1.00 0.00 H new ATOM 0 HH22 ARG A 427 -0.850 11.861 -11.381 1.00 0.00 H new ATOM 976 N ALA A 428 -0.548 6.453 -4.160 1.00 0.00 N ATOM 977 CA ALA A 428 0.600 5.561 -4.264 1.00 0.00 C ATOM 978 C ALA A 428 0.169 4.101 -4.173 1.00 0.00 C ATOM 979 O ALA A 428 0.619 3.260 -4.953 1.00 0.00 O ATOM 980 CB ALA A 428 1.617 5.882 -3.180 1.00 0.00 C ATOM 0 H ALA A 428 -0.544 7.051 -3.334 1.00 0.00 H new ATOM 0 HA ALA A 428 1.064 5.716 -5.238 1.00 0.00 H new ATOM 0 HB1 ALA A 428 2.469 5.208 -3.270 1.00 0.00 H new ATOM 0 HB2 ALA A 428 1.955 6.912 -3.292 1.00 0.00 H new ATOM 0 HB3 ALA A 428 1.156 5.756 -2.200 1.00 0.00 H new ATOM 986 N MET A 429 -0.705 3.806 -3.216 1.00 0.00 N ATOM 987 CA MET A 429 -1.197 2.447 -3.024 1.00 0.00 C ATOM 988 C MET A 429 -1.920 1.948 -4.271 1.00 0.00 C ATOM 989 O MET A 429 -1.825 0.774 -4.629 1.00 0.00 O ATOM 990 CB MET A 429 -2.137 2.389 -1.818 1.00 0.00 C ATOM 991 CG MET A 429 -1.445 2.671 -0.494 1.00 0.00 C ATOM 992 SD MET A 429 -2.369 3.821 0.545 1.00 0.00 S ATOM 993 CE MET A 429 -3.394 2.686 1.479 1.00 0.00 C ATOM 0 H MET A 429 -1.087 4.489 -2.562 1.00 0.00 H new ATOM 0 HA MET A 429 -0.340 1.800 -2.840 1.00 0.00 H new ATOM 0 HB2 MET A 429 -2.941 3.111 -1.959 1.00 0.00 H new ATOM 0 HB3 MET A 429 -2.599 1.402 -1.775 1.00 0.00 H new ATOM 0 HG2 MET A 429 -1.305 1.734 0.045 1.00 0.00 H new ATOM 0 HG3 MET A 429 -0.453 3.079 -0.687 1.00 0.00 H new ATOM 0 HE1 MET A 429 -3.603 3.109 2.461 1.00 0.00 H new ATOM 0 HE2 MET A 429 -4.331 2.521 0.948 1.00 0.00 H new ATOM 0 HE3 MET A 429 -2.872 1.737 1.597 1.00 0.00 H new ATOM 1003 N GLN A 430 -2.642 2.848 -4.929 1.00 0.00 N ATOM 1004 CA GLN A 430 -3.381 2.500 -6.137 1.00 0.00 C ATOM 1005 C GLN A 430 -2.429 2.137 -7.270 1.00 0.00 C ATOM 1006 O GLN A 430 -2.614 1.129 -7.953 1.00 0.00 O ATOM 1007 CB GLN A 430 -4.280 3.663 -6.564 1.00 0.00 C ATOM 1008 CG GLN A 430 -5.519 3.227 -7.327 1.00 0.00 C ATOM 1009 CD GLN A 430 -6.010 4.285 -8.295 1.00 0.00 C ATOM 1010 OE1 GLN A 430 -5.263 5.184 -8.680 1.00 0.00 O ATOM 1011 NE2 GLN A 430 -7.271 4.181 -8.695 1.00 0.00 N ATOM 0 H GLN A 430 -2.731 3.824 -4.646 1.00 0.00 H new ATOM 0 HA GLN A 430 -4.002 1.632 -5.915 1.00 0.00 H new ATOM 0 HB2 GLN A 430 -4.586 4.219 -5.678 1.00 0.00 H new ATOM 0 HB3 GLN A 430 -3.703 4.348 -7.186 1.00 0.00 H new ATOM 0 HG2 GLN A 430 -5.300 2.311 -7.876 1.00 0.00 H new ATOM 0 HG3 GLN A 430 -6.313 2.991 -6.619 1.00 0.00 H new ATOM 0 HE21 GLN A 430 -7.854 3.419 -8.350 1.00 0.00 H new ATOM 0 HE22 GLN A 430 -7.657 4.863 -9.348 1.00 0.00 H new ATOM 1020 N ASN A 431 -1.408 2.964 -7.468 1.00 0.00 N ATOM 1021 CA ASN A 431 -0.425 2.730 -8.520 1.00 0.00 C ATOM 1022 C ASN A 431 0.292 1.400 -8.310 1.00 0.00 C ATOM 1023 O ASN A 431 0.346 0.564 -9.211 1.00 0.00 O ATOM 1024 CB ASN A 431 0.593 3.871 -8.559 1.00 0.00 C ATOM 1025 CG ASN A 431 0.087 5.071 -9.334 1.00 0.00 C ATOM 1026 OD1 ASN A 431 0.318 5.188 -10.538 1.00 0.00 O ATOM 1027 ND2 ASN A 431 -0.605 5.972 -8.647 1.00 0.00 N ATOM 0 H ASN A 431 -1.239 3.803 -6.913 1.00 0.00 H new ATOM 0 HA ASN A 431 -0.953 2.691 -9.473 1.00 0.00 H new ATOM 0 HB2 ASN A 431 0.833 4.175 -7.540 1.00 0.00 H new ATOM 0 HB3 ASN A 431 1.518 3.514 -9.011 1.00 0.00 H new ATOM 0 HD21 ASN A 431 -0.969 6.802 -9.116 1.00 0.00 H new ATOM 0 HD22 ASN A 431 -0.773 5.835 -7.650 1.00 0.00 H new ATOM 1034 N PHE A 432 0.842 1.212 -7.114 1.00 0.00 N ATOM 1035 CA PHE A 432 1.558 -0.016 -6.784 1.00 0.00 C ATOM 1036 C PHE A 432 0.663 -1.237 -6.970 1.00 0.00 C ATOM 1037 O PHE A 432 1.104 -2.272 -7.467 1.00 0.00 O ATOM 1038 CB PHE A 432 2.073 0.041 -5.344 1.00 0.00 C ATOM 1039 CG PHE A 432 2.958 -1.115 -4.976 1.00 0.00 C ATOM 1040 CD1 PHE A 432 4.235 -1.222 -5.504 1.00 0.00 C ATOM 1041 CD2 PHE A 432 2.513 -2.095 -4.103 1.00 0.00 C ATOM 1042 CE1 PHE A 432 5.051 -2.285 -5.168 1.00 0.00 C ATOM 1043 CE2 PHE A 432 3.326 -3.160 -3.764 1.00 0.00 C ATOM 1044 CZ PHE A 432 4.597 -3.255 -4.295 1.00 0.00 C ATOM 0 H PHE A 432 0.806 1.895 -6.357 1.00 0.00 H new ATOM 0 HA PHE A 432 2.406 -0.106 -7.463 1.00 0.00 H new ATOM 0 HB2 PHE A 432 2.625 0.970 -5.201 1.00 0.00 H new ATOM 0 HB3 PHE A 432 1.222 0.067 -4.663 1.00 0.00 H new ATOM 0 HD1 PHE A 432 4.596 -0.466 -6.186 1.00 0.00 H new ATOM 0 HD2 PHE A 432 1.520 -2.026 -3.683 1.00 0.00 H new ATOM 0 HE1 PHE A 432 6.043 -2.358 -5.588 1.00 0.00 H new ATOM 0 HE2 PHE A 432 2.967 -3.918 -3.084 1.00 0.00 H new ATOM 0 HZ PHE A 432 5.234 -4.085 -4.029 1.00 0.00 H new ATOM 1054 N LEU A 433 -0.596 -1.108 -6.566 1.00 0.00 N ATOM 1055 CA LEU A 433 -1.554 -2.200 -6.689 1.00 0.00 C ATOM 1056 C LEU A 433 -1.958 -2.414 -8.145 1.00 0.00 C ATOM 1057 O LEU A 433 -2.343 -3.516 -8.536 1.00 0.00 O ATOM 1058 CB LEU A 433 -2.795 -1.916 -5.840 1.00 0.00 C ATOM 1059 CG LEU A 433 -2.703 -2.378 -4.384 1.00 0.00 C ATOM 1060 CD1 LEU A 433 -3.659 -1.581 -3.509 1.00 0.00 C ATOM 1061 CD2 LEU A 433 -2.997 -3.866 -4.280 1.00 0.00 C ATOM 0 H LEU A 433 -0.977 -0.258 -6.150 1.00 0.00 H new ATOM 0 HA LEU A 433 -1.074 -3.110 -6.328 1.00 0.00 H new ATOM 0 HB2 LEU A 433 -2.988 -0.843 -5.853 1.00 0.00 H new ATOM 0 HB3 LEU A 433 -3.654 -2.400 -6.305 1.00 0.00 H new ATOM 0 HG LEU A 433 -1.687 -2.202 -4.029 1.00 0.00 H new ATOM 0 HD11 LEU A 433 -3.579 -1.924 -2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 433 -3.403 -0.523 -3.561 1.00 0.00 H new ATOM 0 HD13 LEU A 433 -4.680 -1.725 -3.861 1.00 0.00 H new ATOM 0 HD21 LEU A 433 -2.927 -4.179 -3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 433 -4.002 -4.065 -4.652 1.00 0.00 H new ATOM 0 HD23 LEU A 433 -2.273 -4.422 -4.875 1.00 0.00 H new ATOM 1073 N GLN A 434 -1.871 -1.355 -8.943 1.00 0.00 N ATOM 1074 CA GLN A 434 -2.228 -1.428 -10.355 1.00 0.00 C ATOM 1075 C GLN A 434 -1.176 -2.199 -11.147 1.00 0.00 C ATOM 1076 O GLN A 434 -1.483 -2.812 -12.171 1.00 0.00 O ATOM 1077 CB GLN A 434 -2.391 -0.024 -10.935 1.00 0.00 C ATOM 1078 CG GLN A 434 -3.780 0.561 -10.732 1.00 0.00 C ATOM 1079 CD GLN A 434 -4.265 1.341 -11.938 1.00 0.00 C ATOM 1080 OE1 GLN A 434 -5.171 0.907 -12.649 1.00 0.00 O ATOM 1081 NE2 GLN A 434 -3.662 2.501 -12.175 1.00 0.00 N ATOM 0 H GLN A 434 -1.556 -0.435 -8.635 1.00 0.00 H new ATOM 0 HA GLN A 434 -3.176 -1.959 -10.435 1.00 0.00 H new ATOM 0 HB2 GLN A 434 -1.657 0.637 -10.475 1.00 0.00 H new ATOM 0 HB3 GLN A 434 -2.170 -0.053 -12.002 1.00 0.00 H new ATOM 0 HG2 GLN A 434 -4.482 -0.245 -10.519 1.00 0.00 H new ATOM 0 HG3 GLN A 434 -3.771 1.215 -9.860 1.00 0.00 H new ATOM 0 HE21 GLN A 434 -2.915 2.823 -11.559 1.00 0.00 H new ATOM 0 HE22 GLN A 434 -3.946 3.070 -12.973 1.00 0.00 H new ATOM 1090 N LEU A 435 0.065 -2.167 -10.671 1.00 0.00 N ATOM 1091 CA LEU A 435 1.161 -2.862 -11.338 1.00 0.00 C ATOM 1092 C LEU A 435 0.864 -4.354 -11.464 1.00 0.00 C ATOM 1093 O LEU A 435 0.180 -4.934 -10.620 1.00 0.00 O ATOM 1094 CB LEU A 435 2.468 -2.654 -10.572 1.00 0.00 C ATOM 1095 CG LEU A 435 2.775 -1.204 -10.193 1.00 0.00 C ATOM 1096 CD1 LEU A 435 4.148 -1.101 -9.546 1.00 0.00 C ATOM 1097 CD2 LEU A 435 2.695 -0.303 -11.416 1.00 0.00 C ATOM 0 H LEU A 435 0.337 -1.667 -9.825 1.00 0.00 H new ATOM 0 HA LEU A 435 1.265 -2.444 -12.339 1.00 0.00 H new ATOM 0 HB2 LEU A 435 2.436 -3.252 -9.661 1.00 0.00 H new ATOM 0 HB3 LEU A 435 3.290 -3.037 -11.177 1.00 0.00 H new ATOM 0 HG LEU A 435 2.028 -0.873 -9.472 1.00 0.00 H new ATOM 0 HD11 LEU A 435 4.349 -0.063 -9.283 1.00 0.00 H new ATOM 0 HD12 LEU A 435 4.173 -1.715 -8.646 1.00 0.00 H new ATOM 0 HD13 LEU A 435 4.907 -1.452 -10.245 1.00 0.00 H new ATOM 0 HD21 LEU A 435 2.916 0.724 -11.126 1.00 0.00 H new ATOM 0 HD22 LEU A 435 3.419 -0.634 -12.160 1.00 0.00 H new ATOM 0 HD23 LEU A 435 1.692 -0.352 -11.839 1.00 0.00 H new ATOM 1109 N PRO A 436 1.378 -5.001 -12.525 1.00 0.00 N ATOM 1110 CA PRO A 436 1.167 -6.435 -12.755 1.00 0.00 C ATOM 1111 C PRO A 436 1.566 -7.279 -11.552 1.00 0.00 C ATOM 1112 O PRO A 436 2.307 -6.825 -10.680 1.00 0.00 O ATOM 1113 CB PRO A 436 2.072 -6.744 -13.950 1.00 0.00 C ATOM 1114 CG PRO A 436 2.237 -5.441 -14.652 1.00 0.00 C ATOM 1115 CD PRO A 436 2.207 -4.388 -13.579 1.00 0.00 C ATOM 0 HA PRO A 436 0.117 -6.668 -12.930 1.00 0.00 H new ATOM 0 HB2 PRO A 436 3.033 -7.142 -13.625 1.00 0.00 H new ATOM 0 HB3 PRO A 436 1.622 -7.491 -14.604 1.00 0.00 H new ATOM 0 HG2 PRO A 436 3.177 -5.410 -15.203 1.00 0.00 H new ATOM 0 HG3 PRO A 436 1.438 -5.284 -15.376 1.00 0.00 H new ATOM 0 HD2 PRO A 436 3.208 -4.153 -13.218 1.00 0.00 H new ATOM 0 HD3 PRO A 436 1.773 -3.456 -13.942 1.00 0.00 H new ATOM 1123 N GLU A 437 1.071 -8.512 -11.509 1.00 0.00 N ATOM 1124 CA GLU A 437 1.379 -9.422 -10.411 1.00 0.00 C ATOM 1125 C GLU A 437 2.857 -9.799 -10.415 1.00 0.00 C ATOM 1126 O GLU A 437 3.449 -10.042 -9.363 1.00 0.00 O ATOM 1127 CB GLU A 437 0.519 -10.683 -10.510 1.00 0.00 C ATOM 1128 CG GLU A 437 0.328 -11.396 -9.181 1.00 0.00 C ATOM 1129 CD GLU A 437 -0.472 -12.676 -9.315 1.00 0.00 C ATOM 1130 OE1 GLU A 437 -1.384 -12.719 -10.167 1.00 0.00 O ATOM 1131 OE2 GLU A 437 -0.186 -13.636 -8.569 1.00 0.00 O ATOM 0 H GLU A 437 0.455 -8.904 -12.221 1.00 0.00 H new ATOM 0 HA GLU A 437 1.156 -8.911 -9.475 1.00 0.00 H new ATOM 0 HB2 GLU A 437 -0.458 -10.416 -10.913 1.00 0.00 H new ATOM 0 HB3 GLU A 437 0.979 -11.371 -11.219 1.00 0.00 H new ATOM 0 HG2 GLU A 437 1.304 -11.625 -8.753 1.00 0.00 H new ATOM 0 HG3 GLU A 437 -0.177 -10.728 -8.484 1.00 0.00 H new ATOM 1138 N ALA A 438 3.447 -9.848 -11.606 1.00 0.00 N ATOM 1139 CA ALA A 438 4.854 -10.197 -11.746 1.00 0.00 C ATOM 1140 C ALA A 438 5.748 -9.154 -11.082 1.00 0.00 C ATOM 1141 O ALA A 438 6.803 -9.479 -10.537 1.00 0.00 O ATOM 1142 CB ALA A 438 5.216 -10.345 -13.217 1.00 0.00 C ATOM 0 H ALA A 438 2.971 -9.650 -12.486 1.00 0.00 H new ATOM 0 HA ALA A 438 5.018 -11.150 -11.244 1.00 0.00 H new ATOM 0 HB1 ALA A 438 6.270 -10.606 -13.308 1.00 0.00 H new ATOM 0 HB2 ALA A 438 4.608 -11.131 -13.664 1.00 0.00 H new ATOM 0 HB3 ALA A 438 5.029 -9.404 -13.734 1.00 0.00 H new ATOM 1148 N GLU A 439 5.319 -7.896 -11.133 1.00 0.00 N ATOM 1149 CA GLU A 439 6.080 -6.805 -10.536 1.00 0.00 C ATOM 1150 C GLU A 439 6.030 -6.877 -9.015 1.00 0.00 C ATOM 1151 O GLU A 439 7.042 -6.683 -8.341 1.00 0.00 O ATOM 1152 CB GLU A 439 5.536 -5.456 -11.013 1.00 0.00 C ATOM 1153 CG GLU A 439 5.867 -5.146 -12.465 1.00 0.00 C ATOM 1154 CD GLU A 439 6.008 -3.659 -12.725 1.00 0.00 C ATOM 1155 OE1 GLU A 439 5.360 -2.866 -12.011 1.00 0.00 O ATOM 1156 OE2 GLU A 439 6.770 -3.288 -13.643 1.00 0.00 O ATOM 0 H GLU A 439 4.449 -7.608 -11.581 1.00 0.00 H new ATOM 0 HA GLU A 439 7.118 -6.903 -10.852 1.00 0.00 H new ATOM 0 HB2 GLU A 439 4.454 -5.444 -10.885 1.00 0.00 H new ATOM 0 HB3 GLU A 439 5.940 -4.666 -10.380 1.00 0.00 H new ATOM 0 HG2 GLU A 439 6.795 -5.649 -12.738 1.00 0.00 H new ATOM 0 HG3 GLU A 439 5.085 -5.551 -13.107 1.00 0.00 H new ATOM 1163 N ARG A 440 4.847 -7.157 -8.478 1.00 0.00 N ATOM 1164 CA ARG A 440 4.665 -7.255 -7.035 1.00 0.00 C ATOM 1165 C ARG A 440 5.465 -8.422 -6.465 1.00 0.00 C ATOM 1166 O ARG A 440 6.097 -8.302 -5.417 1.00 0.00 O ATOM 1167 CB ARG A 440 3.183 -7.424 -6.696 1.00 0.00 C ATOM 1168 CG ARG A 440 2.414 -6.113 -6.662 1.00 0.00 C ATOM 1169 CD ARG A 440 1.076 -6.271 -5.958 1.00 0.00 C ATOM 1170 NE ARG A 440 0.096 -6.961 -6.793 1.00 0.00 N ATOM 1171 CZ ARG A 440 -0.562 -6.385 -7.797 1.00 0.00 C ATOM 1172 NH1 ARG A 440 -0.348 -5.107 -8.090 1.00 0.00 N ATOM 1173 NH2 ARG A 440 -1.435 -7.084 -8.507 1.00 0.00 N ATOM 0 H ARG A 440 3.999 -7.320 -9.021 1.00 0.00 H new ATOM 0 HA ARG A 440 5.030 -6.332 -6.584 1.00 0.00 H new ATOM 0 HB2 ARG A 440 2.724 -8.086 -7.430 1.00 0.00 H new ATOM 0 HB3 ARG A 440 3.094 -7.913 -5.726 1.00 0.00 H new ATOM 0 HG2 ARG A 440 3.008 -5.355 -6.152 1.00 0.00 H new ATOM 0 HG3 ARG A 440 2.251 -5.759 -7.680 1.00 0.00 H new ATOM 0 HD2 ARG A 440 1.218 -6.827 -5.031 1.00 0.00 H new ATOM 0 HD3 ARG A 440 0.692 -5.288 -5.685 1.00 0.00 H new ATOM 0 HE ARG A 440 -0.096 -7.943 -6.595 1.00 0.00 H new ATOM 0 HH11 ARG A 440 0.322 -4.564 -7.545 1.00 0.00 H new ATOM 0 HH12 ARG A 440 -0.854 -4.669 -8.860 1.00 0.00 H new ATOM 0 HH21 ARG A 440 -1.604 -8.065 -8.285 1.00 0.00 H new ATOM 0 HH22 ARG A 440 -1.938 -6.641 -9.276 1.00 0.00 H new ATOM 1187 N ASP A 441 5.427 -9.554 -7.163 1.00 0.00 N ATOM 1188 CA ASP A 441 6.148 -10.745 -6.726 1.00 0.00 C ATOM 1189 C ASP A 441 7.655 -10.519 -6.779 1.00 0.00 C ATOM 1190 O ASP A 441 8.400 -11.035 -5.945 1.00 0.00 O ATOM 1191 CB ASP A 441 5.768 -11.943 -7.596 1.00 0.00 C ATOM 1192 CG ASP A 441 4.595 -12.719 -7.032 1.00 0.00 C ATOM 1193 OD1 ASP A 441 4.813 -13.551 -6.127 1.00 0.00 O ATOM 1194 OD2 ASP A 441 3.457 -12.494 -7.497 1.00 0.00 O ATOM 0 H ASP A 441 4.906 -9.671 -8.032 1.00 0.00 H new ATOM 0 HA ASP A 441 5.867 -10.952 -5.693 1.00 0.00 H new ATOM 0 HB2 ASP A 441 5.521 -11.596 -8.599 1.00 0.00 H new ATOM 0 HB3 ASP A 441 6.627 -12.607 -7.690 1.00 0.00 H new ATOM 1199 N ARG A 442 8.098 -9.743 -7.763 1.00 0.00 N ATOM 1200 CA ARG A 442 9.518 -9.449 -7.923 1.00 0.00 C ATOM 1201 C ARG A 442 10.028 -8.592 -6.769 1.00 0.00 C ATOM 1202 O ARG A 442 11.070 -8.883 -6.181 1.00 0.00 O ATOM 1203 CB ARG A 442 9.764 -8.734 -9.253 1.00 0.00 C ATOM 1204 CG ARG A 442 9.951 -9.682 -10.427 1.00 0.00 C ATOM 1205 CD ARG A 442 10.860 -9.082 -11.488 1.00 0.00 C ATOM 1206 NE ARG A 442 10.824 -9.843 -12.735 1.00 0.00 N ATOM 1207 CZ ARG A 442 11.378 -11.042 -12.887 1.00 0.00 C ATOM 1208 NH1 ARG A 442 12.013 -11.622 -11.877 1.00 0.00 N ATOM 1209 NH2 ARG A 442 11.299 -11.666 -14.055 1.00 0.00 N ATOM 0 H ARG A 442 7.495 -9.307 -8.461 1.00 0.00 H new ATOM 0 HA ARG A 442 10.063 -10.393 -7.920 1.00 0.00 H new ATOM 0 HB2 ARG A 442 8.923 -8.072 -9.461 1.00 0.00 H new ATOM 0 HB3 ARG A 442 10.649 -8.105 -9.160 1.00 0.00 H new ATOM 0 HG2 ARG A 442 10.374 -10.622 -10.073 1.00 0.00 H new ATOM 0 HG3 ARG A 442 8.981 -9.914 -10.866 1.00 0.00 H new ATOM 0 HD2 ARG A 442 10.559 -8.053 -11.683 1.00 0.00 H new ATOM 0 HD3 ARG A 442 11.883 -9.050 -11.113 1.00 0.00 H new ATOM 0 HE ARG A 442 10.346 -9.430 -13.536 1.00 0.00 H new ATOM 0 HH11 ARG A 442 12.079 -11.148 -10.976 1.00 0.00 H new ATOM 0 HH12 ARG A 442 12.436 -12.542 -12.001 1.00 0.00 H new ATOM 0 HH21 ARG A 442 10.813 -11.226 -14.837 1.00 0.00 H new ATOM 0 HH22 ARG A 442 11.724 -12.586 -14.172 1.00 0.00 H new ATOM 1223 N ILE A 443 9.286 -7.538 -6.448 1.00 0.00 N ATOM 1224 CA ILE A 443 9.662 -6.640 -5.364 1.00 0.00 C ATOM 1225 C ILE A 443 9.658 -7.371 -4.024 1.00 0.00 C ATOM 1226 O ILE A 443 10.602 -7.258 -3.242 1.00 0.00 O ATOM 1227 CB ILE A 443 8.713 -5.428 -5.279 1.00 0.00 C ATOM 1228 CG1 ILE A 443 8.603 -4.741 -6.641 1.00 0.00 C ATOM 1229 CG2 ILE A 443 9.201 -4.443 -4.224 1.00 0.00 C ATOM 1230 CD1 ILE A 443 7.246 -4.122 -6.897 1.00 0.00 C ATOM 0 H ILE A 443 8.420 -7.285 -6.924 1.00 0.00 H new ATOM 0 HA ILE A 443 10.669 -6.285 -5.581 1.00 0.00 H new ATOM 0 HB ILE A 443 7.724 -5.782 -4.989 1.00 0.00 H new ATOM 0 HG12 ILE A 443 9.366 -3.966 -6.711 1.00 0.00 H new ATOM 0 HG13 ILE A 443 8.815 -5.469 -7.424 1.00 0.00 H new ATOM 0 HG21 ILE A 443 8.520 -3.593 -4.177 1.00 0.00 H new ATOM 0 HG22 ILE A 443 9.233 -4.937 -3.253 1.00 0.00 H new ATOM 0 HG23 ILE A 443 10.199 -4.093 -4.487 1.00 0.00 H new ATOM 0 HD11 ILE A 443 7.240 -3.653 -7.881 1.00 0.00 H new ATOM 0 HD12 ILE A 443 6.480 -4.896 -6.860 1.00 0.00 H new ATOM 0 HD13 ILE A 443 7.039 -3.370 -6.135 1.00 0.00 H new ATOM 1242 N TYR A 444 8.591 -8.120 -3.767 1.00 0.00 N ATOM 1243 CA TYR A 444 8.466 -8.868 -2.522 1.00 0.00 C ATOM 1244 C TYR A 444 9.596 -9.882 -2.382 1.00 0.00 C ATOM 1245 O TYR A 444 10.068 -10.152 -1.278 1.00 0.00 O ATOM 1246 CB TYR A 444 7.114 -9.584 -2.464 1.00 0.00 C ATOM 1247 CG TYR A 444 5.929 -8.645 -2.405 1.00 0.00 C ATOM 1248 CD1 TYR A 444 5.976 -7.481 -1.649 1.00 0.00 C ATOM 1249 CD2 TYR A 444 4.763 -8.926 -3.105 1.00 0.00 C ATOM 1250 CE1 TYR A 444 4.893 -6.622 -1.592 1.00 0.00 C ATOM 1251 CE2 TYR A 444 3.677 -8.073 -3.054 1.00 0.00 C ATOM 1252 CZ TYR A 444 3.747 -6.922 -2.297 1.00 0.00 C ATOM 1253 OH TYR A 444 2.666 -6.071 -2.243 1.00 0.00 O ATOM 0 H TYR A 444 7.801 -8.225 -4.404 1.00 0.00 H new ATOM 0 HA TYR A 444 8.530 -8.161 -1.695 1.00 0.00 H new ATOM 0 HB2 TYR A 444 7.015 -10.225 -3.340 1.00 0.00 H new ATOM 0 HB3 TYR A 444 7.095 -10.234 -1.589 1.00 0.00 H new ATOM 0 HD1 TYR A 444 6.873 -7.242 -1.096 1.00 0.00 H new ATOM 0 HD2 TYR A 444 4.704 -9.826 -3.699 1.00 0.00 H new ATOM 0 HE1 TYR A 444 4.945 -5.721 -0.998 1.00 0.00 H new ATOM 0 HE2 TYR A 444 2.778 -8.306 -3.604 1.00 0.00 H new ATOM 0 HH TYR A 444 2.567 -5.725 -1.331 1.00 0.00 H new ATOM 1263 N GLN A 445 10.027 -10.441 -3.509 1.00 0.00 N ATOM 1264 CA GLN A 445 11.104 -11.426 -3.511 1.00 0.00 C ATOM 1265 C GLN A 445 12.446 -10.781 -3.856 1.00 0.00 C ATOM 1266 O GLN A 445 13.440 -11.478 -4.062 1.00 0.00 O ATOM 1267 CB GLN A 445 10.794 -12.546 -4.505 1.00 0.00 C ATOM 1268 CG GLN A 445 11.364 -13.894 -4.100 1.00 0.00 C ATOM 1269 CD GLN A 445 10.400 -14.706 -3.257 1.00 0.00 C ATOM 1270 OE1 GLN A 445 10.036 -14.305 -2.151 1.00 0.00 O ATOM 1271 NE2 GLN A 445 9.982 -15.854 -3.775 1.00 0.00 N ATOM 0 H GLN A 445 9.647 -10.229 -4.432 1.00 0.00 H new ATOM 0 HA GLN A 445 11.176 -11.844 -2.507 1.00 0.00 H new ATOM 0 HB2 GLN A 445 9.713 -12.636 -4.613 1.00 0.00 H new ATOM 0 HB3 GLN A 445 11.190 -12.272 -5.483 1.00 0.00 H new ATOM 0 HG2 GLN A 445 11.622 -14.459 -4.996 1.00 0.00 H new ATOM 0 HG3 GLN A 445 12.288 -13.741 -3.542 1.00 0.00 H new ATOM 0 HE21 GLN A 445 10.309 -16.147 -4.695 1.00 0.00 H new ATOM 0 HE22 GLN A 445 9.333 -16.443 -3.253 1.00 0.00 H new