USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=12 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 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 -121:sc= 0.365 USER MOD Single : A 377 GLN : amide:sc= -0.047 K(o=-0.047,f=-1.1) USER MOD Single : A 384 LYS NZ :NH3+ -140:sc= -0.0117 (180deg=-0.808) USER MOD Single : A 389 SER OG : rot 180:sc= 0 USER MOD Single : A 390 GLN : amide:sc= -0.314 K(o=-0.31,f=-2.6!) USER MOD Single : A 399 ASN : amide:sc=-0.00732 X(o=-0.0073,f=0) USER MOD Single : A 401 THR OG1 : rot 180:sc= 0 USER MOD Single : A 402 GLN : amide:sc= -0.699 K(o=-0.7,f=-4.1!) USER MOD Single : A 406 SER OG : rot 180:sc= 0 USER MOD Single : A 411 LYS NZ :NH3+ -157:sc= 0.0709 (180deg=0.00212) 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 419 SER OG : rot 180:sc= 0 USER MOD Single : A 420 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.0077) USER MOD Single : A 421 SER OG : rot 180:sc= 0 USER MOD Single : A 425 ASN : amide:sc= -0.0498 K(o=-0.05,f=-3.4!) USER MOD Single : A 429 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 430 GLN : amide:sc= -0.298 K(o=-0.3,f=-1.6!) USER MOD Single : A 431 ASN : amide:sc= -0.098 K(o=-0.098,f=-1.3!) USER MOD Single : A 434 GLN : amide:sc=-0.000916 X(o=-0.00092,f=0) USER MOD Single : A 444 TYR OH : rot 180:sc= -0.0393 USER MOD Single : A 445 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 44 N VAL A 371 -9.895 8.202 -5.991 1.00 0.00 N ATOM 45 CA VAL A 371 -9.734 7.146 -5.000 1.00 0.00 C ATOM 46 C VAL A 371 -11.080 6.727 -4.417 1.00 0.00 C ATOM 47 O VAL A 371 -11.737 7.505 -3.725 1.00 0.00 O ATOM 48 CB VAL A 371 -8.807 7.589 -3.853 1.00 0.00 C ATOM 49 CG1 VAL A 371 -8.497 6.419 -2.931 1.00 0.00 C ATOM 50 CG2 VAL A 371 -7.526 8.196 -4.405 1.00 0.00 C ATOM 0 HA VAL A 371 -9.284 6.297 -5.514 1.00 0.00 H new ATOM 0 HB VAL A 371 -9.322 8.353 -3.270 1.00 0.00 H new ATOM 0 HG11 VAL A 371 -7.841 6.753 -2.127 1.00 0.00 H new ATOM 0 HG12 VAL A 371 -9.424 6.035 -2.506 1.00 0.00 H new ATOM 0 HG13 VAL A 371 -8.003 5.630 -3.498 1.00 0.00 H new ATOM 0 HG21 VAL A 371 -6.884 8.503 -3.580 1.00 0.00 H new ATOM 0 HG22 VAL A 371 -7.006 7.456 -5.014 1.00 0.00 H new ATOM 0 HG23 VAL A 371 -7.769 9.064 -5.018 1.00 0.00 H new ATOM 60 N SER A 372 -11.483 5.492 -4.700 1.00 0.00 N ATOM 61 CA SER A 372 -12.749 4.969 -4.202 1.00 0.00 C ATOM 62 C SER A 372 -12.529 4.083 -2.981 1.00 0.00 C ATOM 63 O SER A 372 -11.408 3.958 -2.488 1.00 0.00 O ATOM 64 CB SER A 372 -13.465 4.178 -5.300 1.00 0.00 C ATOM 65 OG SER A 372 -14.392 4.993 -5.996 1.00 0.00 O ATOM 0 H SER A 372 -10.951 4.836 -5.271 1.00 0.00 H new ATOM 0 HA SER A 372 -13.372 5.813 -3.907 1.00 0.00 H new ATOM 0 HB2 SER A 372 -12.732 3.777 -6.000 1.00 0.00 H new ATOM 0 HB3 SER A 372 -13.984 3.327 -4.859 1.00 0.00 H new ATOM 0 HG SER A 372 -14.834 4.464 -6.693 1.00 0.00 H new ATOM 71 N SER A 373 -13.603 3.469 -2.497 1.00 0.00 N ATOM 72 CA SER A 373 -13.524 2.593 -1.332 1.00 0.00 C ATOM 73 C SER A 373 -12.780 1.302 -1.664 1.00 0.00 C ATOM 74 O SER A 373 -12.229 0.648 -0.781 1.00 0.00 O ATOM 75 CB SER A 373 -14.927 2.269 -0.817 1.00 0.00 C ATOM 76 OG SER A 373 -14.953 2.224 0.599 1.00 0.00 O ATOM 0 H SER A 373 -14.539 3.561 -2.893 1.00 0.00 H new ATOM 0 HA SER A 373 -12.969 3.117 -0.554 1.00 0.00 H new ATOM 0 HB2 SER A 373 -15.631 3.021 -1.173 1.00 0.00 H new ATOM 0 HB3 SER A 373 -15.253 1.310 -1.220 1.00 0.00 H new ATOM 0 HG SER A 373 -15.861 2.017 0.903 1.00 0.00 H new ATOM 82 N GLU A 374 -12.769 0.941 -2.945 1.00 0.00 N ATOM 83 CA GLU A 374 -12.094 -0.273 -3.393 1.00 0.00 C ATOM 84 C GLU A 374 -10.619 -0.261 -2.999 1.00 0.00 C ATOM 85 O GLU A 374 -10.013 -1.313 -2.800 1.00 0.00 O ATOM 86 CB GLU A 374 -12.226 -0.423 -4.910 1.00 0.00 C ATOM 87 CG GLU A 374 -13.657 -0.630 -5.379 1.00 0.00 C ATOM 88 CD GLU A 374 -13.746 -1.515 -6.607 1.00 0.00 C ATOM 89 OE1 GLU A 374 -12.845 -2.358 -6.796 1.00 0.00 O ATOM 90 OE2 GLU A 374 -14.716 -1.365 -7.378 1.00 0.00 O ATOM 0 H GLU A 374 -13.220 1.472 -3.690 1.00 0.00 H new ATOM 0 HA GLU A 374 -12.572 -1.122 -2.905 1.00 0.00 H new ATOM 0 HB2 GLU A 374 -11.820 0.467 -5.391 1.00 0.00 H new ATOM 0 HB3 GLU A 374 -11.620 -1.267 -5.237 1.00 0.00 H new ATOM 0 HG2 GLU A 374 -14.239 -1.075 -4.572 1.00 0.00 H new ATOM 0 HG3 GLU A 374 -14.107 0.338 -5.600 1.00 0.00 H new ATOM 97 N ILE A 375 -10.048 0.935 -2.891 1.00 0.00 N ATOM 98 CA ILE A 375 -8.644 1.081 -2.523 1.00 0.00 C ATOM 99 C ILE A 375 -8.358 0.429 -1.173 1.00 0.00 C ATOM 100 O ILE A 375 -7.286 -0.139 -0.962 1.00 0.00 O ATOM 101 CB ILE A 375 -8.226 2.565 -2.469 1.00 0.00 C ATOM 102 CG1 ILE A 375 -6.719 2.685 -2.235 1.00 0.00 C ATOM 103 CG2 ILE A 375 -8.998 3.300 -1.383 1.00 0.00 C ATOM 104 CD1 ILE A 375 -5.892 2.420 -3.474 1.00 0.00 C ATOM 0 H ILE A 375 -10.536 1.816 -3.053 1.00 0.00 H new ATOM 0 HA ILE A 375 -8.061 0.578 -3.295 1.00 0.00 H new ATOM 0 HB ILE A 375 -8.464 3.026 -3.427 1.00 0.00 H new ATOM 0 HG12 ILE A 375 -6.495 3.686 -1.866 1.00 0.00 H new ATOM 0 HG13 ILE A 375 -6.424 1.984 -1.454 1.00 0.00 H new ATOM 0 HG21 ILE A 375 -8.689 4.345 -1.361 1.00 0.00 H new ATOM 0 HG22 ILE A 375 -10.066 3.242 -1.593 1.00 0.00 H new ATOM 0 HG23 ILE A 375 -8.793 2.840 -0.416 1.00 0.00 H new ATOM 0 HD11 ILE A 375 -4.834 2.523 -3.234 1.00 0.00 H new ATOM 0 HD12 ILE A 375 -6.087 1.409 -3.832 1.00 0.00 H new ATOM 0 HD13 ILE A 375 -6.159 3.137 -4.250 1.00 0.00 H new ATOM 116 N TYR A 376 -9.323 0.514 -0.262 1.00 0.00 N ATOM 117 CA TYR A 376 -9.173 -0.068 1.067 1.00 0.00 C ATOM 118 C TYR A 376 -9.356 -1.582 1.021 1.00 0.00 C ATOM 119 O TYR A 376 -8.637 -2.325 1.688 1.00 0.00 O ATOM 120 CB TYR A 376 -10.181 0.552 2.035 1.00 0.00 C ATOM 121 CG TYR A 376 -9.806 1.943 2.494 1.00 0.00 C ATOM 122 CD1 TYR A 376 -9.009 2.133 3.615 1.00 0.00 C ATOM 123 CD2 TYR A 376 -10.251 3.064 1.807 1.00 0.00 C ATOM 124 CE1 TYR A 376 -8.665 3.402 4.039 1.00 0.00 C ATOM 125 CE2 TYR A 376 -9.911 4.338 2.224 1.00 0.00 C ATOM 126 CZ TYR A 376 -9.119 4.501 3.340 1.00 0.00 C ATOM 127 OH TYR A 376 -8.778 5.767 3.757 1.00 0.00 O ATOM 0 H TYR A 376 -10.216 0.980 -0.420 1.00 0.00 H new ATOM 0 HA TYR A 376 -8.164 0.147 1.419 1.00 0.00 H new ATOM 0 HB2 TYR A 376 -11.158 0.589 1.554 1.00 0.00 H new ATOM 0 HB3 TYR A 376 -10.279 -0.095 2.907 1.00 0.00 H new ATOM 0 HD1 TYR A 376 -8.652 1.275 4.165 1.00 0.00 H new ATOM 0 HD2 TYR A 376 -10.873 2.939 0.933 1.00 0.00 H new ATOM 0 HE1 TYR A 376 -8.044 3.533 4.913 1.00 0.00 H new ATOM 0 HE2 TYR A 376 -10.264 5.200 1.678 1.00 0.00 H new ATOM 0 HH TYR A 376 -9.592 6.279 3.947 1.00 0.00 H new ATOM 137 N GLN A 377 -10.326 -2.031 0.230 1.00 0.00 N ATOM 138 CA GLN A 377 -10.605 -3.456 0.098 1.00 0.00 C ATOM 139 C GLN A 377 -9.478 -4.165 -0.645 1.00 0.00 C ATOM 140 O GLN A 377 -9.202 -5.339 -0.401 1.00 0.00 O ATOM 141 CB GLN A 377 -11.930 -3.671 -0.635 1.00 0.00 C ATOM 142 CG GLN A 377 -12.385 -5.122 -0.659 1.00 0.00 C ATOM 143 CD GLN A 377 -13.890 -5.261 -0.773 1.00 0.00 C ATOM 144 OE1 GLN A 377 -14.596 -4.291 -1.043 1.00 0.00 O ATOM 145 NE2 GLN A 377 -14.389 -6.474 -0.567 1.00 0.00 N ATOM 0 H GLN A 377 -10.931 -1.429 -0.328 1.00 0.00 H new ATOM 0 HA GLN A 377 -10.678 -3.881 1.099 1.00 0.00 H new ATOM 0 HB2 GLN A 377 -12.701 -3.065 -0.159 1.00 0.00 H new ATOM 0 HB3 GLN A 377 -11.831 -3.313 -1.660 1.00 0.00 H new ATOM 0 HG2 GLN A 377 -11.912 -5.633 -1.498 1.00 0.00 H new ATOM 0 HG3 GLN A 377 -12.046 -5.620 0.249 1.00 0.00 H new ATOM 0 HE21 GLN A 377 -13.766 -7.251 -0.345 1.00 0.00 H new ATOM 0 HE22 GLN A 377 -15.395 -6.629 -0.630 1.00 0.00 H new ATOM 154 N TRP A 378 -8.831 -3.443 -1.556 1.00 0.00 N ATOM 155 CA TRP A 378 -7.734 -4.005 -2.336 1.00 0.00 C ATOM 156 C TRP A 378 -6.525 -4.291 -1.450 1.00 0.00 C ATOM 157 O TRP A 378 -5.888 -5.338 -1.573 1.00 0.00 O ATOM 158 CB TRP A 378 -7.340 -3.047 -3.463 1.00 0.00 C ATOM 159 CG TRP A 378 -8.373 -2.937 -4.543 1.00 0.00 C ATOM 160 CD1 TRP A 378 -9.453 -3.751 -4.733 1.00 0.00 C ATOM 161 CD2 TRP A 378 -8.422 -1.955 -5.585 1.00 0.00 C ATOM 162 NE1 TRP A 378 -10.170 -3.336 -5.828 1.00 0.00 N ATOM 163 CE2 TRP A 378 -9.559 -2.235 -6.368 1.00 0.00 C ATOM 164 CE3 TRP A 378 -7.617 -0.866 -5.930 1.00 0.00 C ATOM 165 CZ2 TRP A 378 -9.906 -1.464 -7.475 1.00 0.00 C ATOM 166 CZ3 TRP A 378 -7.965 -0.103 -7.029 1.00 0.00 C ATOM 167 CH2 TRP A 378 -9.101 -0.404 -7.789 1.00 0.00 C ATOM 0 H TRP A 378 -9.047 -2.470 -1.771 1.00 0.00 H new ATOM 0 HA TRP A 378 -8.074 -4.946 -2.769 1.00 0.00 H new ATOM 0 HB2 TRP A 378 -7.160 -2.058 -3.042 1.00 0.00 H new ATOM 0 HB3 TRP A 378 -6.401 -3.383 -3.903 1.00 0.00 H new ATOM 0 HD1 TRP A 378 -9.706 -4.598 -4.112 1.00 0.00 H new ATOM 0 HE1 TRP A 378 -11.019 -3.776 -6.182 1.00 0.00 H new ATOM 0 HE3 TRP A 378 -6.739 -0.625 -5.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 378 -10.781 -1.695 -8.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 378 -7.349 0.740 -7.306 1.00 0.00 H new ATOM 0 HH2 TRP A 378 -9.347 0.213 -8.640 1.00 0.00 H new ATOM 178 N VAL A 379 -6.214 -3.355 -0.560 1.00 0.00 N ATOM 179 CA VAL A 379 -5.081 -3.506 0.345 1.00 0.00 C ATOM 180 C VAL A 379 -5.228 -4.756 1.206 1.00 0.00 C ATOM 181 O VAL A 379 -4.274 -5.514 1.388 1.00 0.00 O ATOM 182 CB VAL A 379 -4.926 -2.280 1.262 1.00 0.00 C ATOM 183 CG1 VAL A 379 -3.628 -2.366 2.052 1.00 0.00 C ATOM 184 CG2 VAL A 379 -4.984 -0.991 0.453 1.00 0.00 C ATOM 0 H VAL A 379 -6.731 -2.483 -0.446 1.00 0.00 H new ATOM 0 HA VAL A 379 -4.191 -3.599 -0.277 1.00 0.00 H new ATOM 0 HB VAL A 379 -5.756 -2.272 1.969 1.00 0.00 H new ATOM 0 HG11 VAL A 379 -3.535 -1.491 2.695 1.00 0.00 H new ATOM 0 HG12 VAL A 379 -3.634 -3.268 2.665 1.00 0.00 H new ATOM 0 HG13 VAL A 379 -2.784 -2.401 1.363 1.00 0.00 H new ATOM 0 HG21 VAL A 379 -4.872 -0.137 1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 379 -4.178 -0.985 -0.281 1.00 0.00 H new ATOM 0 HG23 VAL A 379 -5.943 -0.927 -0.061 1.00 0.00 H new ATOM 194 N ARG A 380 -6.429 -4.965 1.738 1.00 0.00 N ATOM 195 CA ARG A 380 -6.700 -6.123 2.582 1.00 0.00 C ATOM 196 C ARG A 380 -6.750 -7.402 1.754 1.00 0.00 C ATOM 197 O ARG A 380 -6.115 -8.401 2.097 1.00 0.00 O ATOM 198 CB ARG A 380 -8.020 -5.934 3.332 1.00 0.00 C ATOM 199 CG ARG A 380 -7.865 -5.229 4.669 1.00 0.00 C ATOM 200 CD ARG A 380 -9.179 -5.188 5.434 1.00 0.00 C ATOM 201 NE ARG A 380 -8.970 -5.186 6.879 1.00 0.00 N ATOM 202 CZ ARG A 380 -8.469 -6.216 7.557 1.00 0.00 C ATOM 203 NH1 ARG A 380 -8.124 -7.330 6.925 1.00 0.00 N ATOM 204 NH2 ARG A 380 -8.313 -6.131 8.871 1.00 0.00 N ATOM 0 H ARG A 380 -7.229 -4.348 1.599 1.00 0.00 H new ATOM 0 HA ARG A 380 -5.889 -6.213 3.304 1.00 0.00 H new ATOM 0 HB2 ARG A 380 -8.705 -5.362 2.706 1.00 0.00 H new ATOM 0 HB3 ARG A 380 -8.478 -6.910 3.496 1.00 0.00 H new ATOM 0 HG2 ARG A 380 -7.111 -5.742 5.266 1.00 0.00 H new ATOM 0 HG3 ARG A 380 -7.506 -4.213 4.506 1.00 0.00 H new ATOM 0 HD2 ARG A 380 -9.738 -4.297 5.147 1.00 0.00 H new ATOM 0 HD3 ARG A 380 -9.787 -6.049 5.157 1.00 0.00 H new ATOM 0 HE ARG A 380 -9.223 -4.346 7.399 1.00 0.00 H new ATOM 0 HH11 ARG A 380 -8.242 -7.400 5.914 1.00 0.00 H new ATOM 0 HH12 ARG A 380 -7.741 -8.116 7.450 1.00 0.00 H new ATOM 0 HH21 ARG A 380 -8.577 -5.277 9.362 1.00 0.00 H new ATOM 0 HH22 ARG A 380 -7.929 -6.920 9.391 1.00 0.00 H new ATOM 218 N ASP A 381 -7.508 -7.367 0.664 1.00 0.00 N ATOM 219 CA ASP A 381 -7.641 -8.525 -0.213 1.00 0.00 C ATOM 220 C ASP A 381 -6.286 -8.942 -0.777 1.00 0.00 C ATOM 221 O ASP A 381 -6.051 -10.120 -1.048 1.00 0.00 O ATOM 222 CB ASP A 381 -8.608 -8.214 -1.357 1.00 0.00 C ATOM 223 CG ASP A 381 -10.039 -8.591 -1.023 1.00 0.00 C ATOM 224 OD1 ASP A 381 -10.372 -9.792 -1.113 1.00 0.00 O ATOM 225 OD2 ASP A 381 -10.824 -7.688 -0.670 1.00 0.00 O ATOM 0 H ASP A 381 -8.040 -6.549 0.366 1.00 0.00 H new ATOM 0 HA ASP A 381 -8.037 -9.352 0.377 1.00 0.00 H new ATOM 0 HB2 ASP A 381 -8.560 -7.150 -1.590 1.00 0.00 H new ATOM 0 HB3 ASP A 381 -8.293 -8.751 -2.252 1.00 0.00 H new ATOM 230 N GLU A 382 -5.398 -7.969 -0.952 1.00 0.00 N ATOM 231 CA GLU A 382 -4.067 -8.237 -1.485 1.00 0.00 C ATOM 232 C GLU A 382 -3.137 -8.761 -0.395 1.00 0.00 C ATOM 233 O GLU A 382 -2.319 -9.647 -0.638 1.00 0.00 O ATOM 234 CB GLU A 382 -3.479 -6.968 -2.105 1.00 0.00 C ATOM 235 CG GLU A 382 -2.212 -7.214 -2.908 1.00 0.00 C ATOM 236 CD GLU A 382 -2.500 -7.698 -4.318 1.00 0.00 C ATOM 237 OE1 GLU A 382 -3.547 -7.308 -4.876 1.00 0.00 O ATOM 238 OE2 GLU A 382 -1.679 -8.466 -4.860 1.00 0.00 O ATOM 0 H GLU A 382 -5.576 -6.989 -0.733 1.00 0.00 H new ATOM 0 HA GLU A 382 -4.160 -9.002 -2.256 1.00 0.00 H new ATOM 0 HB2 GLU A 382 -4.227 -6.510 -2.753 1.00 0.00 H new ATOM 0 HB3 GLU A 382 -3.263 -6.252 -1.312 1.00 0.00 H new ATOM 0 HG2 GLU A 382 -1.632 -6.293 -2.955 1.00 0.00 H new ATOM 0 HG3 GLU A 382 -1.597 -7.952 -2.393 1.00 0.00 H new ATOM 245 N LEU A 383 -3.269 -8.207 0.805 1.00 0.00 N ATOM 246 CA LEU A 383 -2.438 -8.620 1.933 1.00 0.00 C ATOM 247 C LEU A 383 -2.721 -10.069 2.318 1.00 0.00 C ATOM 248 O LEU A 383 -1.804 -10.828 2.630 1.00 0.00 O ATOM 249 CB LEU A 383 -2.681 -7.702 3.134 1.00 0.00 C ATOM 250 CG LEU A 383 -1.728 -6.510 3.239 1.00 0.00 C ATOM 251 CD1 LEU A 383 -2.296 -5.457 4.179 1.00 0.00 C ATOM 252 CD2 LEU A 383 -0.356 -6.966 3.713 1.00 0.00 C ATOM 0 H LEU A 383 -3.942 -7.472 1.023 1.00 0.00 H new ATOM 0 HA LEU A 383 -1.394 -8.543 1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 383 -3.703 -7.327 3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 383 -2.601 -8.293 4.046 1.00 0.00 H new ATOM 0 HG LEU A 383 -1.619 -6.065 2.250 1.00 0.00 H new ATOM 0 HD11 LEU A 383 -1.606 -4.616 4.243 1.00 0.00 H new ATOM 0 HD12 LEU A 383 -3.257 -5.110 3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 383 -2.433 -5.890 5.170 1.00 0.00 H new ATOM 0 HD21 LEU A 383 0.310 -6.106 3.782 1.00 0.00 H new ATOM 0 HD22 LEU A 383 -0.447 -7.434 4.693 1.00 0.00 H new ATOM 0 HD23 LEU A 383 0.053 -7.685 3.004 1.00 0.00 H new ATOM 264 N LYS A 384 -3.995 -10.445 2.294 1.00 0.00 N ATOM 265 CA LYS A 384 -4.397 -11.803 2.641 1.00 0.00 C ATOM 266 C LYS A 384 -4.013 -12.785 1.539 1.00 0.00 C ATOM 267 O LYS A 384 -3.706 -13.946 1.807 1.00 0.00 O ATOM 268 CB LYS A 384 -5.906 -11.863 2.891 1.00 0.00 C ATOM 269 CG LYS A 384 -6.303 -12.835 3.991 1.00 0.00 C ATOM 270 CD LYS A 384 -7.645 -12.465 4.601 1.00 0.00 C ATOM 271 CE LYS A 384 -7.501 -11.370 5.647 1.00 0.00 C ATOM 272 NZ LYS A 384 -8.048 -10.070 5.169 1.00 0.00 N ATOM 0 H LYS A 384 -4.767 -9.829 2.038 1.00 0.00 H new ATOM 0 HA LYS A 384 -3.872 -12.087 3.553 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -6.262 -10.867 3.152 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -6.408 -12.149 1.967 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.352 -13.845 3.585 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -5.538 -12.840 4.767 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -8.323 -12.132 3.815 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -8.094 -13.348 5.057 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -8.019 -11.668 6.559 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -6.448 -11.249 5.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.423 -9.297 5.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -8.105 -10.078 4.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -8.998 -9.926 5.567 1.00 0.00 H new ATOM 286 N ARG A 385 -4.031 -12.310 0.297 1.00 0.00 N ATOM 287 CA ARG A 385 -3.684 -13.147 -0.845 1.00 0.00 C ATOM 288 C ARG A 385 -2.173 -13.197 -1.044 1.00 0.00 C ATOM 289 O ARG A 385 -1.630 -14.200 -1.508 1.00 0.00 O ATOM 290 CB ARG A 385 -4.363 -12.622 -2.113 1.00 0.00 C ATOM 291 CG ARG A 385 -5.634 -13.370 -2.478 1.00 0.00 C ATOM 292 CD ARG A 385 -6.650 -13.331 -1.346 1.00 0.00 C ATOM 293 NE ARG A 385 -7.559 -14.473 -1.390 1.00 0.00 N ATOM 294 CZ ARG A 385 -8.291 -14.879 -0.353 1.00 0.00 C ATOM 295 NH1 ARG A 385 -8.223 -14.237 0.807 1.00 0.00 N ATOM 296 NH2 ARG A 385 -9.092 -15.927 -0.477 1.00 0.00 N ATOM 0 H ARG A 385 -4.282 -11.351 0.057 1.00 0.00 H new ATOM 0 HA ARG A 385 -4.038 -14.158 -0.645 1.00 0.00 H new ATOM 0 HB2 ARG A 385 -4.599 -11.566 -1.978 1.00 0.00 H new ATOM 0 HB3 ARG A 385 -3.661 -12.688 -2.944 1.00 0.00 H new ATOM 0 HG2 ARG A 385 -6.071 -12.931 -3.375 1.00 0.00 H new ATOM 0 HG3 ARG A 385 -5.392 -14.406 -2.715 1.00 0.00 H new ATOM 0 HD2 ARG A 385 -6.127 -13.320 -0.390 1.00 0.00 H new ATOM 0 HD3 ARG A 385 -7.225 -12.407 -1.406 1.00 0.00 H new ATOM 0 HE ARG A 385 -7.638 -14.990 -2.266 1.00 0.00 H new ATOM 0 HH11 ARG A 385 -7.609 -13.429 0.907 1.00 0.00 H new ATOM 0 HH12 ARG A 385 -8.785 -14.552 1.598 1.00 0.00 H new ATOM 0 HH21 ARG A 385 -9.149 -16.423 -1.366 1.00 0.00 H new ATOM 0 HH22 ARG A 385 -9.652 -16.238 0.317 1.00 0.00 H new ATOM 310 N ALA A 386 -1.498 -12.108 -0.690 1.00 0.00 N ATOM 311 CA ALA A 386 -0.049 -12.029 -0.831 1.00 0.00 C ATOM 312 C ALA A 386 0.655 -12.700 0.343 1.00 0.00 C ATOM 313 O ALA A 386 1.512 -13.564 0.154 1.00 0.00 O ATOM 314 CB ALA A 386 0.391 -10.577 -0.951 1.00 0.00 C ATOM 0 H ALA A 386 -1.931 -11.269 -0.304 1.00 0.00 H new ATOM 0 HA ALA A 386 0.232 -12.560 -1.741 1.00 0.00 H new ATOM 0 HB1 ALA A 386 1.475 -10.533 -1.056 1.00 0.00 H new ATOM 0 HB2 ALA A 386 -0.077 -10.126 -1.826 1.00 0.00 H new ATOM 0 HB3 ALA A 386 0.090 -10.031 -0.057 1.00 0.00 H new ATOM 320 N GLY A 387 0.289 -12.299 1.556 1.00 0.00 N ATOM 321 CA GLY A 387 0.896 -12.872 2.741 1.00 0.00 C ATOM 322 C GLY A 387 2.155 -12.138 3.161 1.00 0.00 C ATOM 323 O GLY A 387 3.263 -12.654 3.006 1.00 0.00 O ATOM 0 H GLY A 387 -0.418 -11.587 1.739 1.00 0.00 H new ATOM 0 HA2 GLY A 387 0.177 -12.851 3.560 1.00 0.00 H new ATOM 0 HA3 GLY A 387 1.135 -13.919 2.553 1.00 0.00 H new ATOM 327 N ILE A 388 1.985 -10.933 3.693 1.00 0.00 N ATOM 328 CA ILE A 388 3.117 -10.128 4.136 1.00 0.00 C ATOM 329 C ILE A 388 2.735 -9.245 5.318 1.00 0.00 C ATOM 330 O ILE A 388 1.568 -9.180 5.705 1.00 0.00 O ATOM 331 CB ILE A 388 3.652 -9.237 2.998 1.00 0.00 C ATOM 332 CG1 ILE A 388 2.507 -8.450 2.356 1.00 0.00 C ATOM 333 CG2 ILE A 388 4.371 -10.081 1.957 1.00 0.00 C ATOM 334 CD1 ILE A 388 2.968 -7.461 1.307 1.00 0.00 C ATOM 0 H ILE A 388 1.075 -10.492 3.828 1.00 0.00 H new ATOM 0 HA ILE A 388 3.898 -10.824 4.442 1.00 0.00 H new ATOM 0 HB ILE A 388 4.366 -8.528 3.417 1.00 0.00 H new ATOM 0 HG12 ILE A 388 1.806 -9.150 1.901 1.00 0.00 H new ATOM 0 HG13 ILE A 388 1.963 -7.915 3.134 1.00 0.00 H new ATOM 0 HG21 ILE A 388 4.743 -9.437 1.160 1.00 0.00 H new ATOM 0 HG22 ILE A 388 5.208 -10.600 2.424 1.00 0.00 H new ATOM 0 HG23 ILE A 388 3.678 -10.812 1.539 1.00 0.00 H new ATOM 0 HD11 ILE A 388 2.104 -6.939 0.895 1.00 0.00 H new ATOM 0 HD12 ILE A 388 3.646 -6.738 1.761 1.00 0.00 H new ATOM 0 HD13 ILE A 388 3.486 -7.992 0.509 1.00 0.00 H new ATOM 346 N SER A 389 3.724 -8.566 5.888 1.00 0.00 N ATOM 347 CA SER A 389 3.491 -7.685 7.027 1.00 0.00 C ATOM 348 C SER A 389 3.180 -6.267 6.562 1.00 0.00 C ATOM 349 O SER A 389 3.612 -5.846 5.490 1.00 0.00 O ATOM 350 CB SER A 389 4.711 -7.676 7.951 1.00 0.00 C ATOM 351 OG SER A 389 4.656 -8.744 8.880 1.00 0.00 O ATOM 0 H SER A 389 4.695 -8.609 5.580 1.00 0.00 H new ATOM 0 HA SER A 389 2.631 -8.065 7.578 1.00 0.00 H new ATOM 0 HB2 SER A 389 5.621 -7.754 7.357 1.00 0.00 H new ATOM 0 HB3 SER A 389 4.759 -6.727 8.486 1.00 0.00 H new ATOM 0 HG SER A 389 5.448 -8.717 9.457 1.00 0.00 H new ATOM 357 N GLN A 390 2.427 -5.535 7.376 1.00 0.00 N ATOM 358 CA GLN A 390 2.056 -4.162 7.048 1.00 0.00 C ATOM 359 C GLN A 390 3.296 -3.285 6.898 1.00 0.00 C ATOM 360 O GLN A 390 3.300 -2.327 6.126 1.00 0.00 O ATOM 361 CB GLN A 390 1.134 -3.591 8.128 1.00 0.00 C ATOM 362 CG GLN A 390 -0.262 -3.266 7.623 1.00 0.00 C ATOM 363 CD GLN A 390 -1.274 -4.340 7.972 1.00 0.00 C ATOM 364 OE1 GLN A 390 -1.031 -5.178 8.842 1.00 0.00 O ATOM 365 NE2 GLN A 390 -2.415 -4.321 7.294 1.00 0.00 N ATOM 0 H GLN A 390 2.061 -5.869 8.268 1.00 0.00 H new ATOM 0 HA GLN A 390 1.525 -4.170 6.096 1.00 0.00 H new ATOM 0 HB2 GLN A 390 1.058 -4.307 8.946 1.00 0.00 H new ATOM 0 HB3 GLN A 390 1.584 -2.686 8.537 1.00 0.00 H new ATOM 0 HG2 GLN A 390 -0.586 -2.316 8.047 1.00 0.00 H new ATOM 0 HG3 GLN A 390 -0.232 -3.138 6.541 1.00 0.00 H new ATOM 0 HE21 GLN A 390 -2.573 -3.608 6.582 1.00 0.00 H new ATOM 0 HE22 GLN A 390 -3.133 -5.019 7.485 1.00 0.00 H new ATOM 374 N ALA A 391 4.345 -3.618 7.643 1.00 0.00 N ATOM 375 CA ALA A 391 5.589 -2.859 7.594 1.00 0.00 C ATOM 376 C ALA A 391 6.211 -2.912 6.202 1.00 0.00 C ATOM 377 O ALA A 391 6.675 -1.898 5.680 1.00 0.00 O ATOM 378 CB ALA A 391 6.570 -3.384 8.631 1.00 0.00 C ATOM 0 H ALA A 391 4.358 -4.408 8.288 1.00 0.00 H new ATOM 0 HA ALA A 391 5.358 -1.818 7.822 1.00 0.00 H new ATOM 0 HB1 ALA A 391 7.494 -2.808 8.582 1.00 0.00 H new ATOM 0 HB2 ALA A 391 6.134 -3.288 9.625 1.00 0.00 H new ATOM 0 HB3 ALA A 391 6.786 -4.433 8.429 1.00 0.00 H new ATOM 384 N VAL A 392 6.217 -4.100 5.607 1.00 0.00 N ATOM 385 CA VAL A 392 6.782 -4.283 4.274 1.00 0.00 C ATOM 386 C VAL A 392 5.908 -3.627 3.211 1.00 0.00 C ATOM 387 O VAL A 392 6.401 -2.896 2.353 1.00 0.00 O ATOM 388 CB VAL A 392 6.950 -5.777 3.936 1.00 0.00 C ATOM 389 CG1 VAL A 392 7.673 -5.948 2.608 1.00 0.00 C ATOM 390 CG2 VAL A 392 7.694 -6.499 5.050 1.00 0.00 C ATOM 0 H VAL A 392 5.838 -4.949 6.025 1.00 0.00 H new ATOM 0 HA VAL A 392 7.762 -3.807 4.278 1.00 0.00 H new ATOM 0 HB VAL A 392 5.959 -6.221 3.845 1.00 0.00 H new ATOM 0 HG11 VAL A 392 7.782 -7.010 2.387 1.00 0.00 H new ATOM 0 HG12 VAL A 392 7.097 -5.470 1.816 1.00 0.00 H new ATOM 0 HG13 VAL A 392 8.659 -5.487 2.668 1.00 0.00 H new ATOM 0 HG21 VAL A 392 7.802 -7.552 4.792 1.00 0.00 H new ATOM 0 HG22 VAL A 392 8.681 -6.053 5.177 1.00 0.00 H new ATOM 0 HG23 VAL A 392 7.133 -6.409 5.980 1.00 0.00 H new ATOM 400 N PHE A 393 4.607 -3.891 3.274 1.00 0.00 N ATOM 401 CA PHE A 393 3.664 -3.326 2.316 1.00 0.00 C ATOM 402 C PHE A 393 3.715 -1.801 2.336 1.00 0.00 C ATOM 403 O PHE A 393 3.807 -1.160 1.289 1.00 0.00 O ATOM 404 CB PHE A 393 2.244 -3.802 2.624 1.00 0.00 C ATOM 405 CG PHE A 393 1.230 -3.367 1.606 1.00 0.00 C ATOM 406 CD1 PHE A 393 0.558 -2.163 1.748 1.00 0.00 C ATOM 407 CD2 PHE A 393 0.950 -4.159 0.504 1.00 0.00 C ATOM 408 CE1 PHE A 393 -0.375 -1.759 0.813 1.00 0.00 C ATOM 409 CE2 PHE A 393 0.018 -3.760 -0.435 1.00 0.00 C ATOM 410 CZ PHE A 393 -0.645 -2.558 -0.281 1.00 0.00 C ATOM 0 H PHE A 393 4.182 -4.493 3.979 1.00 0.00 H new ATOM 0 HA PHE A 393 3.948 -3.669 1.321 1.00 0.00 H new ATOM 0 HB2 PHE A 393 2.240 -4.890 2.686 1.00 0.00 H new ATOM 0 HB3 PHE A 393 1.948 -3.426 3.603 1.00 0.00 H new ATOM 0 HD1 PHE A 393 0.766 -1.533 2.600 1.00 0.00 H new ATOM 0 HD2 PHE A 393 1.466 -5.099 0.377 1.00 0.00 H new ATOM 0 HE1 PHE A 393 -0.893 -0.819 0.937 1.00 0.00 H new ATOM 0 HE2 PHE A 393 -0.192 -4.387 -1.289 1.00 0.00 H new ATOM 0 HZ PHE A 393 -1.373 -2.244 -1.014 1.00 0.00 H new ATOM 420 N ALA A 394 3.656 -1.227 3.533 1.00 0.00 N ATOM 421 CA ALA A 394 3.695 0.222 3.688 1.00 0.00 C ATOM 422 C ALA A 394 4.993 0.799 3.133 1.00 0.00 C ATOM 423 O ALA A 394 5.025 1.932 2.652 1.00 0.00 O ATOM 424 CB ALA A 394 3.531 0.601 5.152 1.00 0.00 C ATOM 0 H ALA A 394 3.581 -1.743 4.410 1.00 0.00 H new ATOM 0 HA ALA A 394 2.867 0.645 3.119 1.00 0.00 H new ATOM 0 HB1 ALA A 394 3.562 1.686 5.253 1.00 0.00 H new ATOM 0 HB2 ALA A 394 2.574 0.230 5.519 1.00 0.00 H new ATOM 0 HB3 ALA A 394 4.339 0.159 5.735 1.00 0.00 H new ATOM 430 N ARG A 395 6.063 0.013 3.204 1.00 0.00 N ATOM 431 CA ARG A 395 7.364 0.447 2.710 1.00 0.00 C ATOM 432 C ARG A 395 7.413 0.391 1.185 1.00 0.00 C ATOM 433 O ARG A 395 7.714 1.386 0.527 1.00 0.00 O ATOM 434 CB ARG A 395 8.475 -0.423 3.299 1.00 0.00 C ATOM 435 CG ARG A 395 9.872 0.108 3.026 1.00 0.00 C ATOM 436 CD ARG A 395 10.924 -0.660 3.811 1.00 0.00 C ATOM 437 NE ARG A 395 12.120 0.144 4.056 1.00 0.00 N ATOM 438 CZ ARG A 395 12.205 1.075 5.002 1.00 0.00 C ATOM 439 NH1 ARG A 395 11.170 1.323 5.795 1.00 0.00 N ATOM 440 NH2 ARG A 395 13.329 1.761 5.157 1.00 0.00 N ATOM 0 H ARG A 395 6.054 -0.927 3.599 1.00 0.00 H new ATOM 0 HA ARG A 395 7.517 1.480 3.024 1.00 0.00 H new ATOM 0 HB2 ARG A 395 8.330 -0.503 4.376 1.00 0.00 H new ATOM 0 HB3 ARG A 395 8.392 -1.430 2.890 1.00 0.00 H new ATOM 0 HG2 ARG A 395 10.088 0.036 1.960 1.00 0.00 H new ATOM 0 HG3 ARG A 395 9.919 1.164 3.290 1.00 0.00 H new ATOM 0 HD2 ARG A 395 10.502 -0.982 4.763 1.00 0.00 H new ATOM 0 HD3 ARG A 395 11.199 -1.561 3.263 1.00 0.00 H new ATOM 0 HE ARG A 395 12.937 -0.018 3.467 1.00 0.00 H new ATOM 0 HH11 ARG A 395 10.303 0.798 5.681 1.00 0.00 H new ATOM 0 HH12 ARG A 395 11.242 2.038 6.519 1.00 0.00 H new ATOM 0 HH21 ARG A 395 14.128 1.575 4.551 1.00 0.00 H new ATOM 0 HH22 ARG A 395 13.395 2.475 5.882 1.00 0.00 H new ATOM 454 N VAL A 396 7.116 -0.781 0.632 1.00 0.00 N ATOM 455 CA VAL A 396 7.128 -0.965 -0.814 1.00 0.00 C ATOM 456 C VAL A 396 6.019 -0.159 -1.482 1.00 0.00 C ATOM 457 O VAL A 396 6.141 0.239 -2.643 1.00 0.00 O ATOM 458 CB VAL A 396 6.967 -2.451 -1.193 1.00 0.00 C ATOM 459 CG1 VAL A 396 8.182 -3.250 -0.747 1.00 0.00 C ATOM 460 CG2 VAL A 396 5.692 -3.021 -0.589 1.00 0.00 C ATOM 0 H VAL A 396 6.865 -1.615 1.162 1.00 0.00 H new ATOM 0 HA VAL A 396 8.095 -0.609 -1.169 1.00 0.00 H new ATOM 0 HB VAL A 396 6.891 -2.525 -2.278 1.00 0.00 H new ATOM 0 HG11 VAL A 396 8.051 -4.296 -1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 396 9.075 -2.856 -1.233 1.00 0.00 H new ATOM 0 HG13 VAL A 396 8.292 -3.171 0.335 1.00 0.00 H new ATOM 0 HG21 VAL A 396 5.595 -4.070 -0.867 1.00 0.00 H new ATOM 0 HG22 VAL A 396 5.734 -2.936 0.497 1.00 0.00 H new ATOM 0 HG23 VAL A 396 4.832 -2.466 -0.963 1.00 0.00 H new ATOM 470 N ALA A 397 4.937 0.078 -0.748 1.00 0.00 N ATOM 471 CA ALA A 397 3.807 0.836 -1.271 1.00 0.00 C ATOM 472 C ALA A 397 4.103 2.332 -1.273 1.00 0.00 C ATOM 473 O ALA A 397 4.339 2.927 -2.324 1.00 0.00 O ATOM 474 CB ALA A 397 2.554 0.544 -0.460 1.00 0.00 C ATOM 0 H ALA A 397 4.819 -0.245 0.212 1.00 0.00 H new ATOM 0 HA ALA A 397 3.639 0.525 -2.302 1.00 0.00 H new ATOM 0 HB1 ALA A 397 1.719 1.117 -0.862 1.00 0.00 H new ATOM 0 HB2 ALA A 397 2.324 -0.520 -0.516 1.00 0.00 H new ATOM 0 HB3 ALA A 397 2.720 0.825 0.580 1.00 0.00 H new ATOM 480 N PHE A 398 4.086 2.935 -0.088 1.00 0.00 N ATOM 481 CA PHE A 398 4.351 4.363 0.047 1.00 0.00 C ATOM 482 C PHE A 398 5.417 4.622 1.106 1.00 0.00 C ATOM 483 O PHE A 398 5.196 4.388 2.294 1.00 0.00 O ATOM 484 CB PHE A 398 3.066 5.109 0.407 1.00 0.00 C ATOM 485 CG PHE A 398 2.377 4.563 1.626 1.00 0.00 C ATOM 486 CD1 PHE A 398 1.739 3.333 1.583 1.00 0.00 C ATOM 487 CD2 PHE A 398 2.365 5.279 2.812 1.00 0.00 C ATOM 488 CE1 PHE A 398 1.103 2.827 2.702 1.00 0.00 C ATOM 489 CE2 PHE A 398 1.732 4.779 3.934 1.00 0.00 C ATOM 490 CZ PHE A 398 1.100 3.552 3.879 1.00 0.00 C ATOM 0 H PHE A 398 3.892 2.457 0.792 1.00 0.00 H new ATOM 0 HA PHE A 398 4.720 4.730 -0.911 1.00 0.00 H new ATOM 0 HB2 PHE A 398 3.300 6.161 0.572 1.00 0.00 H new ATOM 0 HB3 PHE A 398 2.380 5.064 -0.439 1.00 0.00 H new ATOM 0 HD1 PHE A 398 1.739 2.764 0.665 1.00 0.00 H new ATOM 0 HD2 PHE A 398 2.856 6.240 2.860 1.00 0.00 H new ATOM 0 HE1 PHE A 398 0.610 1.867 2.656 1.00 0.00 H new ATOM 0 HE2 PHE A 398 1.731 5.347 4.853 1.00 0.00 H new ATOM 0 HZ PHE A 398 0.604 3.160 4.754 1.00 0.00 H new ATOM 500 N ASN A 399 6.573 5.109 0.668 1.00 0.00 N ATOM 501 CA ASN A 399 7.675 5.400 1.578 1.00 0.00 C ATOM 502 C ASN A 399 7.447 6.724 2.300 1.00 0.00 C ATOM 503 O ASN A 399 7.849 7.784 1.819 1.00 0.00 O ATOM 504 CB ASN A 399 8.998 5.446 0.812 1.00 0.00 C ATOM 505 CG ASN A 399 9.605 4.070 0.624 1.00 0.00 C ATOM 506 OD1 ASN A 399 10.234 3.526 1.532 1.00 0.00 O ATOM 507 ND2 ASN A 399 9.419 3.498 -0.560 1.00 0.00 N ATOM 0 H ASN A 399 6.771 5.311 -0.312 1.00 0.00 H new ATOM 0 HA ASN A 399 7.721 4.603 2.321 1.00 0.00 H new ATOM 0 HB2 ASN A 399 8.834 5.904 -0.163 1.00 0.00 H new ATOM 0 HB3 ASN A 399 9.703 6.081 1.348 1.00 0.00 H new ATOM 0 HD21 ASN A 399 9.804 2.572 -0.745 1.00 0.00 H new ATOM 0 HD22 ASN A 399 8.891 3.985 -1.284 1.00 0.00 H new ATOM 514 N ARG A 400 6.798 6.656 3.459 1.00 0.00 N ATOM 515 CA ARG A 400 6.515 7.849 4.247 1.00 0.00 C ATOM 516 C ARG A 400 6.881 7.632 5.713 1.00 0.00 C ATOM 517 O ARG A 400 7.799 8.266 6.234 1.00 0.00 O ATOM 518 CB ARG A 400 5.037 8.226 4.131 1.00 0.00 C ATOM 519 CG ARG A 400 4.728 9.636 4.608 1.00 0.00 C ATOM 520 CD ARG A 400 4.580 10.600 3.443 1.00 0.00 C ATOM 521 NE ARG A 400 4.266 11.955 3.889 1.00 0.00 N ATOM 522 CZ ARG A 400 4.287 13.020 3.093 1.00 0.00 C ATOM 523 NH1 ARG A 400 4.606 12.894 1.811 1.00 0.00 N ATOM 524 NH2 ARG A 400 3.988 14.217 3.579 1.00 0.00 N ATOM 0 H ARG A 400 6.459 5.787 3.872 1.00 0.00 H new ATOM 0 HA ARG A 400 7.123 8.664 3.854 1.00 0.00 H new ATOM 0 HB2 ARG A 400 4.726 8.127 3.091 1.00 0.00 H new ATOM 0 HB3 ARG A 400 4.444 7.518 4.709 1.00 0.00 H new ATOM 0 HG2 ARG A 400 3.809 9.629 5.195 1.00 0.00 H new ATOM 0 HG3 ARG A 400 5.525 9.981 5.267 1.00 0.00 H new ATOM 0 HD2 ARG A 400 5.504 10.614 2.865 1.00 0.00 H new ATOM 0 HD3 ARG A 400 3.793 10.246 2.778 1.00 0.00 H new ATOM 0 HE ARG A 400 4.016 12.092 4.868 1.00 0.00 H new ATOM 0 HH11 ARG A 400 4.837 11.976 1.431 1.00 0.00 H new ATOM 0 HH12 ARG A 400 4.620 13.715 1.206 1.00 0.00 H new ATOM 0 HH21 ARG A 400 3.742 14.321 4.563 1.00 0.00 H new ATOM 0 HH22 ARG A 400 4.004 15.034 2.968 1.00 0.00 H new ATOM 538 N THR A 401 6.158 6.732 6.370 1.00 0.00 N ATOM 539 CA THR A 401 6.405 6.430 7.774 1.00 0.00 C ATOM 540 C THR A 401 5.738 5.120 8.181 1.00 0.00 C ATOM 541 O THR A 401 4.764 4.692 7.562 1.00 0.00 O ATOM 542 CB THR A 401 5.896 7.559 8.691 1.00 0.00 C ATOM 543 OG1 THR A 401 4.727 8.161 8.123 1.00 0.00 O ATOM 544 CG2 THR A 401 6.969 8.618 8.893 1.00 0.00 C ATOM 0 H THR A 401 5.396 6.199 5.952 1.00 0.00 H new ATOM 0 HA THR A 401 7.485 6.337 7.891 1.00 0.00 H new ATOM 0 HB THR A 401 5.648 7.126 9.660 1.00 0.00 H new ATOM 0 HG1 THR A 401 4.408 8.876 8.712 1.00 0.00 H new ATOM 0 HG21 THR A 401 6.586 9.404 9.544 1.00 0.00 H new ATOM 0 HG22 THR A 401 7.847 8.163 9.351 1.00 0.00 H new ATOM 0 HG23 THR A 401 7.243 9.046 7.929 1.00 0.00 H new ATOM 552 N GLN A 402 6.269 4.490 9.223 1.00 0.00 N ATOM 553 CA GLN A 402 5.724 3.228 9.710 1.00 0.00 C ATOM 554 C GLN A 402 4.570 3.471 10.678 1.00 0.00 C ATOM 555 O GLN A 402 4.638 4.358 11.530 1.00 0.00 O ATOM 556 CB GLN A 402 6.817 2.408 10.398 1.00 0.00 C ATOM 557 CG GLN A 402 6.514 0.920 10.457 1.00 0.00 C ATOM 558 CD GLN A 402 5.689 0.541 11.671 1.00 0.00 C ATOM 559 OE1 GLN A 402 5.361 1.388 12.503 1.00 0.00 O ATOM 560 NE2 GLN A 402 5.348 -0.738 11.778 1.00 0.00 N ATOM 0 H GLN A 402 7.075 4.832 9.746 1.00 0.00 H new ATOM 0 HA GLN A 402 5.345 2.670 8.854 1.00 0.00 H new ATOM 0 HB2 GLN A 402 7.759 2.558 9.870 1.00 0.00 H new ATOM 0 HB3 GLN A 402 6.957 2.782 11.412 1.00 0.00 H new ATOM 0 HG2 GLN A 402 5.980 0.625 9.553 1.00 0.00 H new ATOM 0 HG3 GLN A 402 7.451 0.362 10.470 1.00 0.00 H new ATOM 0 HE21 GLN A 402 5.642 -1.405 11.065 1.00 0.00 H new ATOM 0 HE22 GLN A 402 4.792 -1.053 12.573 1.00 0.00 H new ATOM 569 N GLY A 403 3.510 2.681 10.539 1.00 0.00 N ATOM 570 CA GLY A 403 2.356 2.827 11.406 1.00 0.00 C ATOM 571 C GLY A 403 1.263 3.668 10.780 1.00 0.00 C ATOM 572 O GLY A 403 0.085 3.498 11.095 1.00 0.00 O ATOM 0 H GLY A 403 3.430 1.942 9.841 1.00 0.00 H new ATOM 0 HA2 GLY A 403 1.959 1.841 11.646 1.00 0.00 H new ATOM 0 HA3 GLY A 403 2.667 3.283 12.346 1.00 0.00 H new ATOM 576 N LEU A 404 1.651 4.577 9.893 1.00 0.00 N ATOM 577 CA LEU A 404 0.695 5.449 9.221 1.00 0.00 C ATOM 578 C LEU A 404 -0.321 4.634 8.426 1.00 0.00 C ATOM 579 O LEU A 404 -1.473 5.039 8.272 1.00 0.00 O ATOM 580 CB LEU A 404 1.424 6.423 8.294 1.00 0.00 C ATOM 581 CG LEU A 404 0.627 7.671 7.910 1.00 0.00 C ATOM 582 CD1 LEU A 404 0.853 8.781 8.925 1.00 0.00 C ATOM 583 CD2 LEU A 404 1.010 8.138 6.513 1.00 0.00 C ATOM 0 H LEU A 404 2.622 4.729 9.622 1.00 0.00 H new ATOM 0 HA LEU A 404 0.161 6.016 9.984 1.00 0.00 H new ATOM 0 HB2 LEU A 404 2.350 6.736 8.777 1.00 0.00 H new ATOM 0 HB3 LEU A 404 1.703 5.894 7.383 1.00 0.00 H new ATOM 0 HG LEU A 404 -0.433 7.417 7.909 1.00 0.00 H new ATOM 0 HD11 LEU A 404 0.278 9.661 8.636 1.00 0.00 H new ATOM 0 HD12 LEU A 404 0.530 8.444 9.910 1.00 0.00 H new ATOM 0 HD13 LEU A 404 1.913 9.034 8.957 1.00 0.00 H new ATOM 0 HD21 LEU A 404 0.434 9.027 6.256 1.00 0.00 H new ATOM 0 HD22 LEU A 404 2.074 8.375 6.488 1.00 0.00 H new ATOM 0 HD23 LEU A 404 0.797 7.347 5.794 1.00 0.00 H new ATOM 595 N LEU A 405 0.116 3.484 7.920 1.00 0.00 N ATOM 596 CA LEU A 405 -0.755 2.612 7.140 1.00 0.00 C ATOM 597 C LEU A 405 -1.952 2.155 7.969 1.00 0.00 C ATOM 598 O LEU A 405 -3.095 2.226 7.519 1.00 0.00 O ATOM 599 CB LEU A 405 0.025 1.396 6.637 1.00 0.00 C ATOM 600 CG LEU A 405 -0.701 0.548 5.591 1.00 0.00 C ATOM 601 CD1 LEU A 405 0.290 -0.301 4.810 1.00 0.00 C ATOM 602 CD2 LEU A 405 -1.752 -0.330 6.253 1.00 0.00 C ATOM 0 H LEU A 405 1.067 3.135 8.036 1.00 0.00 H new ATOM 0 HA LEU A 405 -1.123 3.179 6.285 1.00 0.00 H new ATOM 0 HB2 LEU A 405 0.969 1.739 6.213 1.00 0.00 H new ATOM 0 HB3 LEU A 405 0.270 0.763 7.490 1.00 0.00 H new ATOM 0 HG LEU A 405 -1.203 1.218 4.893 1.00 0.00 H new ATOM 0 HD11 LEU A 405 -0.245 -0.897 4.071 1.00 0.00 H new ATOM 0 HD12 LEU A 405 1.005 0.348 4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 405 0.821 -0.963 5.494 1.00 0.00 H new ATOM 0 HD21 LEU A 405 -2.259 -0.926 5.494 1.00 0.00 H new ATOM 0 HD22 LEU A 405 -1.272 -0.992 6.974 1.00 0.00 H new ATOM 0 HD23 LEU A 405 -2.480 0.298 6.766 1.00 0.00 H new ATOM 614 N SER A 406 -1.680 1.684 9.182 1.00 0.00 N ATOM 615 CA SER A 406 -2.734 1.216 10.073 1.00 0.00 C ATOM 616 C SER A 406 -3.706 2.343 10.408 1.00 0.00 C ATOM 617 O SER A 406 -4.916 2.127 10.499 1.00 0.00 O ATOM 618 CB SER A 406 -2.128 0.650 11.359 1.00 0.00 C ATOM 619 OG SER A 406 -1.624 -0.659 11.153 1.00 0.00 O ATOM 0 H SER A 406 -0.739 1.617 9.570 1.00 0.00 H new ATOM 0 HA SER A 406 -3.285 0.427 9.560 1.00 0.00 H new ATOM 0 HB2 SER A 406 -1.325 1.302 11.704 1.00 0.00 H new ATOM 0 HB3 SER A 406 -2.884 0.633 12.144 1.00 0.00 H new ATOM 0 HG SER A 406 -1.241 -0.997 11.989 1.00 0.00 H new ATOM 625 N GLU A 407 -3.170 3.544 10.595 1.00 0.00 N ATOM 626 CA GLU A 407 -3.990 4.705 10.920 1.00 0.00 C ATOM 627 C GLU A 407 -5.009 4.980 9.819 1.00 0.00 C ATOM 628 O GLU A 407 -6.162 5.313 10.095 1.00 0.00 O ATOM 629 CB GLU A 407 -3.107 5.936 11.133 1.00 0.00 C ATOM 630 CG GLU A 407 -3.586 6.843 12.254 1.00 0.00 C ATOM 631 CD GLU A 407 -3.639 8.302 11.843 1.00 0.00 C ATOM 632 OE1 GLU A 407 -2.563 8.929 11.745 1.00 0.00 O ATOM 633 OE2 GLU A 407 -4.754 8.816 11.620 1.00 0.00 O ATOM 0 H GLU A 407 -2.171 3.739 10.527 1.00 0.00 H new ATOM 0 HA GLU A 407 -4.530 4.489 11.842 1.00 0.00 H new ATOM 0 HB2 GLU A 407 -2.090 5.610 11.351 1.00 0.00 H new ATOM 0 HB3 GLU A 407 -3.067 6.508 10.206 1.00 0.00 H new ATOM 0 HG2 GLU A 407 -4.577 6.524 12.576 1.00 0.00 H new ATOM 0 HG3 GLU A 407 -2.922 6.735 13.112 1.00 0.00 H new ATOM 640 N ILE A 408 -4.576 4.839 8.571 1.00 0.00 N ATOM 641 CA ILE A 408 -5.449 5.072 7.427 1.00 0.00 C ATOM 642 C ILE A 408 -6.546 4.014 7.348 1.00 0.00 C ATOM 643 O ILE A 408 -7.684 4.311 6.990 1.00 0.00 O ATOM 644 CB ILE A 408 -4.657 5.074 6.105 1.00 0.00 C ATOM 645 CG1 ILE A 408 -3.458 6.021 6.202 1.00 0.00 C ATOM 646 CG2 ILE A 408 -5.558 5.472 4.945 1.00 0.00 C ATOM 647 CD1 ILE A 408 -2.256 5.556 5.409 1.00 0.00 C ATOM 0 H ILE A 408 -3.625 4.564 8.326 1.00 0.00 H new ATOM 0 HA ILE A 408 -5.903 6.053 7.571 1.00 0.00 H new ATOM 0 HB ILE A 408 -4.286 4.065 5.923 1.00 0.00 H new ATOM 0 HG12 ILE A 408 -3.756 7.009 5.850 1.00 0.00 H new ATOM 0 HG13 ILE A 408 -3.173 6.128 7.249 1.00 0.00 H new ATOM 0 HG21 ILE A 408 -4.982 5.468 4.019 1.00 0.00 H new ATOM 0 HG22 ILE A 408 -6.381 4.762 4.863 1.00 0.00 H new ATOM 0 HG23 ILE A 408 -5.957 6.471 5.120 1.00 0.00 H new ATOM 0 HD11 ILE A 408 -1.444 6.275 5.523 1.00 0.00 H new ATOM 0 HD12 ILE A 408 -1.933 4.582 5.776 1.00 0.00 H new ATOM 0 HD13 ILE A 408 -2.524 5.476 4.355 1.00 0.00 H new ATOM 659 N LEU A 409 -6.192 2.778 7.687 1.00 0.00 N ATOM 660 CA LEU A 409 -7.145 1.675 7.654 1.00 0.00 C ATOM 661 C LEU A 409 -8.044 1.692 8.887 1.00 0.00 C ATOM 662 O LEU A 409 -9.180 1.218 8.843 1.00 0.00 O ATOM 663 CB LEU A 409 -6.405 0.339 7.567 1.00 0.00 C ATOM 664 CG LEU A 409 -5.659 0.097 6.254 1.00 0.00 C ATOM 665 CD1 LEU A 409 -4.897 -1.218 6.308 1.00 0.00 C ATOM 666 CD2 LEU A 409 -6.631 0.106 5.083 1.00 0.00 C ATOM 0 H LEU A 409 -5.253 2.516 7.987 1.00 0.00 H new ATOM 0 HA LEU A 409 -7.771 1.796 6.770 1.00 0.00 H new ATOM 0 HB2 LEU A 409 -5.691 0.282 8.389 1.00 0.00 H new ATOM 0 HB3 LEU A 409 -7.124 -0.467 7.713 1.00 0.00 H new ATOM 0 HG LEU A 409 -4.939 0.903 6.111 1.00 0.00 H new ATOM 0 HD11 LEU A 409 -4.372 -1.373 5.365 1.00 0.00 H new ATOM 0 HD12 LEU A 409 -4.175 -1.187 7.124 1.00 0.00 H new ATOM 0 HD13 LEU A 409 -5.597 -2.037 6.473 1.00 0.00 H new ATOM 0 HD21 LEU A 409 -6.085 -0.068 4.156 1.00 0.00 H new ATOM 0 HD22 LEU A 409 -7.373 -0.681 5.220 1.00 0.00 H new ATOM 0 HD23 LEU A 409 -7.132 1.073 5.034 1.00 0.00 H new ATOM 678 N ARG A 410 -7.528 2.237 9.984 1.00 0.00 N ATOM 679 CA ARG A 410 -8.285 2.312 11.228 1.00 0.00 C ATOM 680 C ARG A 410 -9.388 3.362 11.134 1.00 0.00 C ATOM 681 O ARG A 410 -10.441 3.229 11.759 1.00 0.00 O ATOM 682 CB ARG A 410 -7.354 2.638 12.396 1.00 0.00 C ATOM 683 CG ARG A 410 -7.846 2.106 13.733 1.00 0.00 C ATOM 684 CD ARG A 410 -8.047 3.227 14.743 1.00 0.00 C ATOM 685 NE ARG A 410 -6.938 3.315 15.689 1.00 0.00 N ATOM 686 CZ ARG A 410 -7.011 3.945 16.859 1.00 0.00 C ATOM 687 NH1 ARG A 410 -8.137 4.544 17.229 1.00 0.00 N ATOM 688 NH2 ARG A 410 -5.956 3.978 17.662 1.00 0.00 N ATOM 0 H ARG A 410 -6.589 2.633 10.037 1.00 0.00 H new ATOM 0 HA ARG A 410 -8.748 1.340 11.400 1.00 0.00 H new ATOM 0 HB2 ARG A 410 -6.367 2.223 12.190 1.00 0.00 H new ATOM 0 HB3 ARG A 410 -7.237 3.719 12.466 1.00 0.00 H new ATOM 0 HG2 ARG A 410 -8.785 1.572 13.589 1.00 0.00 H new ATOM 0 HG3 ARG A 410 -7.127 1.386 14.126 1.00 0.00 H new ATOM 0 HD2 ARG A 410 -8.151 4.176 14.216 1.00 0.00 H new ATOM 0 HD3 ARG A 410 -8.976 3.062 15.288 1.00 0.00 H new ATOM 0 HE ARG A 410 -6.056 2.868 15.438 1.00 0.00 H new ATOM 0 HH11 ARG A 410 -8.951 4.523 16.615 1.00 0.00 H new ATOM 0 HH12 ARG A 410 -8.187 5.025 18.127 1.00 0.00 H new ATOM 0 HH21 ARG A 410 -5.088 3.520 17.383 1.00 0.00 H new ATOM 0 HH22 ARG A 410 -6.012 4.461 18.559 1.00 0.00 H new ATOM 702 N LYS A 411 -9.140 4.406 10.351 1.00 0.00 N ATOM 703 CA LYS A 411 -10.113 5.481 10.177 1.00 0.00 C ATOM 704 C LYS A 411 -11.329 4.994 9.394 1.00 0.00 C ATOM 705 O LYS A 411 -12.468 5.309 9.739 1.00 0.00 O ATOM 706 CB LYS A 411 -9.470 6.668 9.458 1.00 0.00 C ATOM 707 CG LYS A 411 -8.876 7.701 10.402 1.00 0.00 C ATOM 708 CD LYS A 411 -9.391 9.099 10.099 1.00 0.00 C ATOM 709 CE LYS A 411 -8.828 9.629 8.790 1.00 0.00 C ATOM 710 NZ LYS A 411 -9.595 10.801 8.289 1.00 0.00 N ATOM 0 H LYS A 411 -8.274 4.532 9.826 1.00 0.00 H new ATOM 0 HA LYS A 411 -10.444 5.800 11.165 1.00 0.00 H new ATOM 0 HB2 LYS A 411 -8.686 6.300 8.796 1.00 0.00 H new ATOM 0 HB3 LYS A 411 -10.218 7.150 8.829 1.00 0.00 H new ATOM 0 HG2 LYS A 411 -9.121 7.438 11.431 1.00 0.00 H new ATOM 0 HG3 LYS A 411 -7.789 7.687 10.320 1.00 0.00 H new ATOM 0 HD2 LYS A 411 -10.480 9.084 10.048 1.00 0.00 H new ATOM 0 HD3 LYS A 411 -9.119 9.772 10.912 1.00 0.00 H new ATOM 0 HE2 LYS A 411 -7.785 9.912 8.932 1.00 0.00 H new ATOM 0 HE3 LYS A 411 -8.845 8.837 8.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 -9.458 10.892 7.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 -10.606 10.667 8.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 -9.258 11.664 8.761 1.00 0.00 H new ATOM 724 N GLU A 412 -11.078 4.225 8.340 1.00 0.00 N ATOM 725 CA GLU A 412 -12.153 3.695 7.506 1.00 0.00 C ATOM 726 C GLU A 412 -12.955 4.824 6.866 1.00 0.00 C ATOM 727 O GLU A 412 -14.138 4.664 6.562 1.00 0.00 O ATOM 728 CB GLU A 412 -13.079 2.805 8.337 1.00 0.00 C ATOM 729 CG GLU A 412 -12.397 1.565 8.891 1.00 0.00 C ATOM 730 CD GLU A 412 -12.577 0.352 7.998 1.00 0.00 C ATOM 731 OE1 GLU A 412 -12.151 0.410 6.827 1.00 0.00 O ATOM 732 OE2 GLU A 412 -13.145 -0.653 8.473 1.00 0.00 O ATOM 0 H GLU A 412 -10.141 3.954 8.042 1.00 0.00 H new ATOM 0 HA GLU A 412 -11.702 3.100 6.712 1.00 0.00 H new ATOM 0 HB2 GLU A 412 -13.482 3.388 9.165 1.00 0.00 H new ATOM 0 HB3 GLU A 412 -13.925 2.499 7.721 1.00 0.00 H new ATOM 0 HG2 GLU A 412 -11.333 1.765 9.015 1.00 0.00 H new ATOM 0 HG3 GLU A 412 -12.798 1.346 9.881 1.00 0.00 H new ATOM 739 N GLU A 413 -12.305 5.966 6.660 1.00 0.00 N ATOM 740 CA GLU A 413 -12.959 7.120 6.053 1.00 0.00 C ATOM 741 C GLU A 413 -12.605 7.229 4.573 1.00 0.00 C ATOM 742 O GLU A 413 -11.625 6.641 4.115 1.00 0.00 O ATOM 743 CB GLU A 413 -12.559 8.403 6.786 1.00 0.00 C ATOM 744 CG GLU A 413 -13.738 9.304 7.118 1.00 0.00 C ATOM 745 CD GLU A 413 -13.742 9.749 8.569 1.00 0.00 C ATOM 746 OE1 GLU A 413 -12.803 10.465 8.973 1.00 0.00 O ATOM 747 OE2 GLU A 413 -14.686 9.381 9.299 1.00 0.00 O ATOM 0 H GLU A 413 -11.326 6.116 6.905 1.00 0.00 H new ATOM 0 HA GLU A 413 -14.037 6.984 6.139 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -12.042 8.139 7.709 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -11.850 8.957 6.171 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -13.713 10.182 6.473 1.00 0.00 H new ATOM 0 HG3 GLU A 413 -14.667 8.776 6.901 1.00 0.00 H new ATOM 754 N ASP A 414 -13.407 7.983 3.830 1.00 0.00 N ATOM 755 CA ASP A 414 -13.175 8.166 2.402 1.00 0.00 C ATOM 756 C ASP A 414 -12.486 9.504 2.126 1.00 0.00 C ATOM 757 O ASP A 414 -12.777 10.504 2.782 1.00 0.00 O ATOM 758 CB ASP A 414 -14.500 8.096 1.637 1.00 0.00 C ATOM 759 CG ASP A 414 -14.739 6.733 1.019 1.00 0.00 C ATOM 760 OD1 ASP A 414 -15.160 5.814 1.752 1.00 0.00 O ATOM 761 OD2 ASP A 414 -14.504 6.585 -0.199 1.00 0.00 O ATOM 0 H ASP A 414 -14.223 8.477 4.192 1.00 0.00 H new ATOM 0 HA ASP A 414 -12.521 7.364 2.061 1.00 0.00 H new ATOM 0 HB2 ASP A 414 -15.320 8.334 2.314 1.00 0.00 H new ATOM 0 HB3 ASP A 414 -14.504 8.853 0.853 1.00 0.00 H new ATOM 766 N PRO A 415 -11.563 9.541 1.147 1.00 0.00 N ATOM 767 CA PRO A 415 -10.842 10.770 0.792 1.00 0.00 C ATOM 768 C PRO A 415 -11.782 11.926 0.460 1.00 0.00 C ATOM 769 O PRO A 415 -11.383 13.090 0.498 1.00 0.00 O ATOM 770 CB PRO A 415 -10.035 10.371 -0.447 1.00 0.00 C ATOM 771 CG PRO A 415 -9.901 8.891 -0.359 1.00 0.00 C ATOM 772 CD PRO A 415 -11.152 8.399 0.309 1.00 0.00 C ATOM 0 HA PRO A 415 -10.230 11.129 1.620 1.00 0.00 H new ATOM 0 HB2 PRO A 415 -10.546 10.667 -1.363 1.00 0.00 H new ATOM 0 HB3 PRO A 415 -9.059 10.856 -0.455 1.00 0.00 H new ATOM 0 HG2 PRO A 415 -9.789 8.450 -1.350 1.00 0.00 H new ATOM 0 HG3 PRO A 415 -9.017 8.613 0.215 1.00 0.00 H new ATOM 0 HD2 PRO A 415 -11.920 8.138 -0.419 1.00 0.00 H new ATOM 0 HD3 PRO A 415 -10.964 7.508 0.908 1.00 0.00 H new ATOM 780 N LYS A 416 -13.031 11.600 0.134 1.00 0.00 N ATOM 781 CA LYS A 416 -14.026 12.613 -0.207 1.00 0.00 C ATOM 782 C LYS A 416 -14.058 13.731 0.831 1.00 0.00 C ATOM 783 O LYS A 416 -14.403 14.871 0.519 1.00 0.00 O ATOM 784 CB LYS A 416 -15.411 11.974 -0.324 1.00 0.00 C ATOM 785 CG LYS A 416 -15.454 10.784 -1.268 1.00 0.00 C ATOM 786 CD LYS A 416 -16.880 10.441 -1.667 1.00 0.00 C ATOM 787 CE LYS A 416 -17.697 9.971 -0.473 1.00 0.00 C ATOM 788 NZ LYS A 416 -19.147 9.875 -0.795 1.00 0.00 N ATOM 0 H LYS A 416 -13.378 10.641 0.099 1.00 0.00 H new ATOM 0 HA LYS A 416 -13.745 13.047 -1.167 1.00 0.00 H new ATOM 0 HB2 LYS A 416 -15.739 11.655 0.665 1.00 0.00 H new ATOM 0 HB3 LYS A 416 -16.121 12.726 -0.668 1.00 0.00 H new ATOM 0 HG2 LYS A 416 -14.868 11.005 -2.160 1.00 0.00 H new ATOM 0 HG3 LYS A 416 -14.992 9.921 -0.789 1.00 0.00 H new ATOM 0 HD2 LYS A 416 -17.355 11.316 -2.112 1.00 0.00 H new ATOM 0 HD3 LYS A 416 -16.868 9.662 -2.430 1.00 0.00 H new ATOM 0 HE2 LYS A 416 -17.333 8.997 -0.145 1.00 0.00 H new ATOM 0 HE3 LYS A 416 -17.555 10.661 0.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 416 -19.668 9.552 0.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 416 -19.501 10.809 -1.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 416 -19.286 9.197 -1.571 1.00 0.00 H new ATOM 802 N THR A 417 -13.695 13.399 2.067 1.00 0.00 N ATOM 803 CA THR A 417 -13.682 14.379 3.147 1.00 0.00 C ATOM 804 C THR A 417 -12.317 14.444 3.825 1.00 0.00 C ATOM 805 O THR A 417 -12.198 14.899 4.962 1.00 0.00 O ATOM 806 CB THR A 417 -14.751 14.058 4.208 1.00 0.00 C ATOM 807 OG1 THR A 417 -14.856 12.639 4.385 1.00 0.00 O ATOM 808 CG2 THR A 417 -16.104 14.623 3.801 1.00 0.00 C ATOM 0 H THR A 417 -13.407 12.461 2.344 1.00 0.00 H new ATOM 0 HA THR A 417 -13.903 15.345 2.694 1.00 0.00 H new ATOM 0 HB THR A 417 -14.448 14.520 5.148 1.00 0.00 H new ATOM 0 HG1 THR A 417 -15.537 12.443 5.062 1.00 0.00 H new ATOM 0 HG21 THR A 417 -16.843 14.384 4.566 1.00 0.00 H new ATOM 0 HG22 THR A 417 -16.029 15.705 3.695 1.00 0.00 H new ATOM 0 HG23 THR A 417 -16.410 14.185 2.851 1.00 0.00 H new ATOM 816 N ALA A 418 -11.284 13.985 3.120 1.00 0.00 N ATOM 817 CA ALA A 418 -9.929 13.993 3.656 1.00 0.00 C ATOM 818 C ALA A 418 -9.131 15.172 3.110 1.00 0.00 C ATOM 819 O ALA A 418 -9.673 16.037 2.422 1.00 0.00 O ATOM 820 CB ALA A 418 -9.228 12.684 3.332 1.00 0.00 C ATOM 0 H ALA A 418 -11.362 13.604 2.177 1.00 0.00 H new ATOM 0 HA ALA A 418 -9.992 14.101 4.739 1.00 0.00 H new ATOM 0 HB1 ALA A 418 -8.217 12.703 3.738 1.00 0.00 H new ATOM 0 HB2 ALA A 418 -9.781 11.856 3.775 1.00 0.00 H new ATOM 0 HB3 ALA A 418 -9.183 12.553 2.251 1.00 0.00 H new ATOM 826 N SER A 419 -7.839 15.199 3.418 1.00 0.00 N ATOM 827 CA SER A 419 -6.964 16.270 2.957 1.00 0.00 C ATOM 828 C SER A 419 -6.156 15.823 1.744 1.00 0.00 C ATOM 829 O SER A 419 -6.268 14.682 1.296 1.00 0.00 O ATOM 830 CB SER A 419 -6.022 16.708 4.079 1.00 0.00 C ATOM 831 OG SER A 419 -5.687 18.080 3.959 1.00 0.00 O ATOM 0 H SER A 419 -7.374 14.490 3.986 1.00 0.00 H new ATOM 0 HA SER A 419 -7.587 17.116 2.667 1.00 0.00 H new ATOM 0 HB2 SER A 419 -6.494 16.529 5.045 1.00 0.00 H new ATOM 0 HB3 SER A 419 -5.114 16.105 4.052 1.00 0.00 H new ATOM 0 HG SER A 419 -5.085 18.335 4.689 1.00 0.00 H new ATOM 837 N GLN A 420 -5.339 16.729 1.216 1.00 0.00 N ATOM 838 CA GLN A 420 -4.511 16.425 0.054 1.00 0.00 C ATOM 839 C GLN A 420 -3.400 15.445 0.418 1.00 0.00 C ATOM 840 O GLN A 420 -2.968 14.645 -0.411 1.00 0.00 O ATOM 841 CB GLN A 420 -3.908 17.710 -0.518 1.00 0.00 C ATOM 842 CG GLN A 420 -3.803 17.709 -2.035 1.00 0.00 C ATOM 843 CD GLN A 420 -5.105 18.093 -2.708 1.00 0.00 C ATOM 844 OE1 GLN A 420 -5.640 17.343 -3.524 1.00 0.00 O ATOM 845 NE2 GLN A 420 -5.621 19.270 -2.371 1.00 0.00 N ATOM 0 H GLN A 420 -5.233 17.678 1.574 1.00 0.00 H new ATOM 0 HA GLN A 420 -5.145 15.961 -0.702 1.00 0.00 H new ATOM 0 HB2 GLN A 420 -4.517 18.558 -0.205 1.00 0.00 H new ATOM 0 HB3 GLN A 420 -2.915 17.856 -0.093 1.00 0.00 H new ATOM 0 HG2 GLN A 420 -3.021 18.403 -2.342 1.00 0.00 H new ATOM 0 HG3 GLN A 420 -3.501 16.718 -2.374 1.00 0.00 H new ATOM 0 HE21 GLN A 420 -5.143 19.860 -1.690 1.00 0.00 H new ATOM 0 HE22 GLN A 420 -6.495 19.584 -2.794 1.00 0.00 H new ATOM 854 N SER A 421 -2.940 15.517 1.664 1.00 0.00 N ATOM 855 CA SER A 421 -1.879 14.636 2.139 1.00 0.00 C ATOM 856 C SER A 421 -2.286 13.172 2.012 1.00 0.00 C ATOM 857 O SER A 421 -1.540 12.354 1.472 1.00 0.00 O ATOM 858 CB SER A 421 -1.537 14.957 3.596 1.00 0.00 C ATOM 859 OG SER A 421 -0.409 14.217 4.031 1.00 0.00 O ATOM 0 H SER A 421 -3.285 16.176 2.362 1.00 0.00 H new ATOM 0 HA SER A 421 -0.998 14.803 1.519 1.00 0.00 H new ATOM 0 HB2 SER A 421 -1.338 16.024 3.699 1.00 0.00 H new ATOM 0 HB3 SER A 421 -2.392 14.729 4.232 1.00 0.00 H new ATOM 0 HG SER A 421 -0.211 14.441 4.964 1.00 0.00 H new ATOM 865 N LEU A 422 -3.474 12.847 2.511 1.00 0.00 N ATOM 866 CA LEU A 422 -3.978 11.480 2.452 1.00 0.00 C ATOM 867 C LEU A 422 -4.142 11.024 1.006 1.00 0.00 C ATOM 868 O LEU A 422 -3.868 9.870 0.674 1.00 0.00 O ATOM 869 CB LEU A 422 -5.316 11.375 3.187 1.00 0.00 C ATOM 870 CG LEU A 422 -5.762 9.948 3.515 1.00 0.00 C ATOM 871 CD1 LEU A 422 -4.829 9.320 4.540 1.00 0.00 C ATOM 872 CD2 LEU A 422 -7.196 9.942 4.023 1.00 0.00 C ATOM 0 H LEU A 422 -4.105 13.511 2.960 1.00 0.00 H new ATOM 0 HA LEU A 422 -3.252 10.830 2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -5.249 11.941 4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -6.086 11.850 2.579 1.00 0.00 H new ATOM 0 HG LEU A 422 -5.718 9.354 2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -5.161 8.306 4.761 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -3.816 9.291 4.140 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -4.841 9.913 5.454 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -7.497 8.920 4.251 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -7.265 10.551 4.925 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -7.855 10.352 3.257 1.00 0.00 H new ATOM 884 N LEU A 423 -4.591 11.936 0.150 1.00 0.00 N ATOM 885 CA LEU A 423 -4.790 11.626 -1.261 1.00 0.00 C ATOM 886 C LEU A 423 -3.482 11.181 -1.908 1.00 0.00 C ATOM 887 O LEU A 423 -3.481 10.376 -2.840 1.00 0.00 O ATOM 888 CB LEU A 423 -5.346 12.845 -1.998 1.00 0.00 C ATOM 889 CG LEU A 423 -6.724 13.313 -1.528 1.00 0.00 C ATOM 890 CD1 LEU A 423 -7.014 14.718 -2.037 1.00 0.00 C ATOM 891 CD2 LEU A 423 -7.802 12.345 -1.988 1.00 0.00 C ATOM 0 H LEU A 423 -4.824 12.895 0.408 1.00 0.00 H new ATOM 0 HA LEU A 423 -5.508 10.808 -1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 423 -4.642 13.670 -1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 423 -5.401 12.613 -3.062 1.00 0.00 H new ATOM 0 HG LEU A 423 -6.726 13.336 -0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 423 -7.999 15.034 -1.692 1.00 0.00 H new ATOM 0 HD12 LEU A 423 -6.259 15.406 -1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 423 -6.992 14.722 -3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 423 -8.776 12.694 -1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 423 -7.800 12.289 -3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 423 -7.604 11.356 -1.573 1.00 0.00 H new ATOM 903 N VAL A 424 -2.370 11.709 -1.407 1.00 0.00 N ATOM 904 CA VAL A 424 -1.055 11.367 -1.933 1.00 0.00 C ATOM 905 C VAL A 424 -0.657 9.947 -1.543 1.00 0.00 C ATOM 906 O VAL A 424 -0.251 9.151 -2.388 1.00 0.00 O ATOM 907 CB VAL A 424 0.023 12.346 -1.432 1.00 0.00 C ATOM 908 CG1 VAL A 424 1.344 12.096 -2.142 1.00 0.00 C ATOM 909 CG2 VAL A 424 -0.432 13.786 -1.623 1.00 0.00 C ATOM 0 H VAL A 424 -2.354 12.377 -0.636 1.00 0.00 H new ATOM 0 HA VAL A 424 -1.122 11.437 -3.019 1.00 0.00 H new ATOM 0 HB VAL A 424 0.174 12.177 -0.366 1.00 0.00 H new ATOM 0 HG11 VAL A 424 2.093 12.797 -1.775 1.00 0.00 H new ATOM 0 HG12 VAL A 424 1.675 11.076 -1.946 1.00 0.00 H new ATOM 0 HG13 VAL A 424 1.212 12.235 -3.215 1.00 0.00 H new ATOM 0 HG21 VAL A 424 0.343 14.463 -1.263 1.00 0.00 H new ATOM 0 HG22 VAL A 424 -0.614 13.973 -2.681 1.00 0.00 H new ATOM 0 HG23 VAL A 424 -1.351 13.955 -1.061 1.00 0.00 H new ATOM 919 N ASN A 425 -0.779 9.639 -0.256 1.00 0.00 N ATOM 920 CA ASN A 425 -0.431 8.315 0.249 1.00 0.00 C ATOM 921 C ASN A 425 -1.287 7.240 -0.413 1.00 0.00 C ATOM 922 O ASN A 425 -0.782 6.190 -0.811 1.00 0.00 O ATOM 923 CB ASN A 425 -0.608 8.264 1.767 1.00 0.00 C ATOM 924 CG ASN A 425 0.503 8.986 2.503 1.00 0.00 C ATOM 925 OD1 ASN A 425 1.649 9.009 2.053 1.00 0.00 O ATOM 926 ND2 ASN A 425 0.169 9.581 3.643 1.00 0.00 N ATOM 0 H ASN A 425 -1.116 10.287 0.456 1.00 0.00 H new ATOM 0 HA ASN A 425 0.614 8.122 0.006 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -1.566 8.710 2.033 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -0.639 7.224 2.092 1.00 0.00 H new ATOM 0 HD21 ASN A 425 0.875 10.082 4.183 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -0.793 9.537 3.979 1.00 0.00 H new ATOM 933 N LEU A 426 -2.583 7.509 -0.526 1.00 0.00 N ATOM 934 CA LEU A 426 -3.508 6.562 -1.138 1.00 0.00 C ATOM 935 C LEU A 426 -3.196 6.377 -2.620 1.00 0.00 C ATOM 936 O LEU A 426 -3.404 5.299 -3.178 1.00 0.00 O ATOM 937 CB LEU A 426 -4.951 7.042 -0.963 1.00 0.00 C ATOM 938 CG LEU A 426 -5.660 6.519 0.287 1.00 0.00 C ATOM 939 CD1 LEU A 426 -4.831 6.802 1.530 1.00 0.00 C ATOM 940 CD2 LEU A 426 -7.043 7.137 0.414 1.00 0.00 C ATOM 0 H LEU A 426 -3.016 8.374 -0.202 1.00 0.00 H new ATOM 0 HA LEU A 426 -3.389 5.601 -0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 426 -4.954 8.132 -0.935 1.00 0.00 H new ATOM 0 HB3 LEU A 426 -5.526 6.744 -1.840 1.00 0.00 H new ATOM 0 HG LEU A 426 -5.774 5.439 0.190 1.00 0.00 H new ATOM 0 HD11 LEU A 426 -5.352 6.423 2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 426 -3.863 6.310 1.441 1.00 0.00 H new ATOM 0 HD13 LEU A 426 -4.683 7.877 1.632 1.00 0.00 H new ATOM 0 HD21 LEU A 426 -7.532 6.753 1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 426 -6.952 8.221 0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 426 -7.638 6.881 -0.463 1.00 0.00 H new ATOM 952 N ARG A 427 -2.694 7.433 -3.251 1.00 0.00 N ATOM 953 CA ARG A 427 -2.354 7.384 -4.668 1.00 0.00 C ATOM 954 C ARG A 427 -1.278 6.336 -4.932 1.00 0.00 C ATOM 955 O ARG A 427 -1.431 5.481 -5.803 1.00 0.00 O ATOM 956 CB ARG A 427 -1.876 8.758 -5.147 1.00 0.00 C ATOM 957 CG ARG A 427 -2.474 9.177 -6.481 1.00 0.00 C ATOM 958 CD ARG A 427 -1.861 10.474 -6.983 1.00 0.00 C ATOM 959 NE ARG A 427 -1.665 10.462 -8.431 1.00 0.00 N ATOM 960 CZ ARG A 427 -1.337 11.538 -9.144 1.00 0.00 C ATOM 961 NH1 ARG A 427 -1.169 12.711 -8.547 1.00 0.00 N ATOM 962 NH2 ARG A 427 -1.180 11.441 -10.456 1.00 0.00 N ATOM 0 H ARG A 427 -2.514 8.332 -2.804 1.00 0.00 H new ATOM 0 HA ARG A 427 -3.250 7.106 -5.223 1.00 0.00 H new ATOM 0 HB2 ARG A 427 -2.129 9.505 -4.394 1.00 0.00 H new ATOM 0 HB3 ARG A 427 -0.789 8.746 -5.232 1.00 0.00 H new ATOM 0 HG2 ARG A 427 -2.313 8.389 -7.217 1.00 0.00 H new ATOM 0 HG3 ARG A 427 -3.552 9.300 -6.375 1.00 0.00 H new ATOM 0 HD2 ARG A 427 -2.507 11.309 -6.711 1.00 0.00 H new ATOM 0 HD3 ARG A 427 -0.903 10.638 -6.489 1.00 0.00 H new ATOM 0 HE ARG A 427 -1.787 9.578 -8.925 1.00 0.00 H new ATOM 0 HH11 ARG A 427 -1.291 12.792 -7.538 1.00 0.00 H new ATOM 0 HH12 ARG A 427 -0.918 13.532 -9.098 1.00 0.00 H new ATOM 0 HH21 ARG A 427 -1.310 10.542 -10.920 1.00 0.00 H new ATOM 0 HH22 ARG A 427 -0.929 12.265 -11.002 1.00 0.00 H new ATOM 976 N ALA A 428 -0.189 6.408 -4.172 1.00 0.00 N ATOM 977 CA ALA A 428 0.911 5.465 -4.323 1.00 0.00 C ATOM 978 C ALA A 428 0.446 4.035 -4.070 1.00 0.00 C ATOM 979 O ALA A 428 0.958 3.090 -4.670 1.00 0.00 O ATOM 980 CB ALA A 428 2.048 5.826 -3.379 1.00 0.00 C ATOM 0 H ALA A 428 -0.046 7.110 -3.446 1.00 0.00 H new ATOM 0 HA ALA A 428 1.272 5.526 -5.350 1.00 0.00 H new ATOM 0 HB1 ALA A 428 2.863 5.113 -3.502 1.00 0.00 H new ATOM 0 HB2 ALA A 428 2.406 6.830 -3.608 1.00 0.00 H new ATOM 0 HB3 ALA A 428 1.690 5.794 -2.350 1.00 0.00 H new ATOM 986 N MET A 429 -0.529 3.885 -3.180 1.00 0.00 N ATOM 987 CA MET A 429 -1.064 2.568 -2.849 1.00 0.00 C ATOM 988 C MET A 429 -1.810 1.970 -4.038 1.00 0.00 C ATOM 989 O MET A 429 -1.648 0.791 -4.355 1.00 0.00 O ATOM 990 CB MET A 429 -1.999 2.665 -1.643 1.00 0.00 C ATOM 991 CG MET A 429 -1.295 3.063 -0.355 1.00 0.00 C ATOM 992 SD MET A 429 -1.452 1.820 0.942 1.00 0.00 S ATOM 993 CE MET A 429 -2.795 2.506 1.906 1.00 0.00 C ATOM 0 H MET A 429 -0.965 4.657 -2.675 1.00 0.00 H new ATOM 0 HA MET A 429 -0.228 1.914 -2.601 1.00 0.00 H new ATOM 0 HB2 MET A 429 -2.782 3.392 -1.859 1.00 0.00 H new ATOM 0 HB3 MET A 429 -2.490 1.703 -1.496 1.00 0.00 H new ATOM 0 HG2 MET A 429 -0.239 3.234 -0.562 1.00 0.00 H new ATOM 0 HG3 MET A 429 -1.707 4.007 0.002 1.00 0.00 H new ATOM 0 HE1 MET A 429 -3.011 1.849 2.748 1.00 0.00 H new ATOM 0 HE2 MET A 429 -2.510 3.490 2.278 1.00 0.00 H new ATOM 0 HE3 MET A 429 -3.683 2.597 1.280 1.00 0.00 H new ATOM 1003 N GLN A 430 -2.627 2.790 -4.691 1.00 0.00 N ATOM 1004 CA GLN A 430 -3.397 2.341 -5.845 1.00 0.00 C ATOM 1005 C GLN A 430 -2.475 1.946 -6.994 1.00 0.00 C ATOM 1006 O GLN A 430 -2.668 0.908 -7.628 1.00 0.00 O ATOM 1007 CB GLN A 430 -4.359 3.439 -6.301 1.00 0.00 C ATOM 1008 CG GLN A 430 -5.415 2.956 -7.282 1.00 0.00 C ATOM 1009 CD GLN A 430 -6.734 3.686 -7.124 1.00 0.00 C ATOM 1010 OE1 GLN A 430 -7.506 3.406 -6.206 1.00 0.00 O ATOM 1011 NE2 GLN A 430 -6.999 4.628 -8.021 1.00 0.00 N ATOM 0 H GLN A 430 -2.773 3.768 -4.441 1.00 0.00 H new ATOM 0 HA GLN A 430 -3.973 1.464 -5.548 1.00 0.00 H new ATOM 0 HB2 GLN A 430 -4.854 3.862 -5.427 1.00 0.00 H new ATOM 0 HB3 GLN A 430 -3.786 4.243 -6.764 1.00 0.00 H new ATOM 0 HG2 GLN A 430 -5.049 3.091 -8.300 1.00 0.00 H new ATOM 0 HG3 GLN A 430 -5.576 1.887 -7.140 1.00 0.00 H new ATOM 0 HE21 GLN A 430 -6.330 4.826 -8.765 1.00 0.00 H new ATOM 0 HE22 GLN A 430 -7.872 5.153 -7.966 1.00 0.00 H new ATOM 1020 N ASN A 431 -1.473 2.778 -7.256 1.00 0.00 N ATOM 1021 CA ASN A 431 -0.521 2.515 -8.327 1.00 0.00 C ATOM 1022 C ASN A 431 0.215 1.201 -8.089 1.00 0.00 C ATOM 1023 O ASN A 431 0.442 0.427 -9.019 1.00 0.00 O ATOM 1024 CB ASN A 431 0.483 3.663 -8.440 1.00 0.00 C ATOM 1025 CG ASN A 431 -0.054 4.823 -9.256 1.00 0.00 C ATOM 1026 OD1 ASN A 431 -0.833 4.632 -10.190 1.00 0.00 O ATOM 1027 ND2 ASN A 431 0.362 6.034 -8.907 1.00 0.00 N ATOM 0 H ASN A 431 -1.300 3.641 -6.740 1.00 0.00 H new ATOM 0 HA ASN A 431 -1.076 2.436 -9.262 1.00 0.00 H new ATOM 0 HB2 ASN A 431 0.743 4.014 -7.441 1.00 0.00 H new ATOM 0 HB3 ASN A 431 1.401 3.295 -8.897 1.00 0.00 H new ATOM 0 HD21 ASN A 431 0.035 6.853 -9.420 1.00 0.00 H new ATOM 0 HD22 ASN A 431 1.008 6.146 -8.126 1.00 0.00 H new ATOM 1034 N PHE A 432 0.585 0.955 -6.837 1.00 0.00 N ATOM 1035 CA PHE A 432 1.296 -0.268 -6.475 1.00 0.00 C ATOM 1036 C PHE A 432 0.406 -1.490 -6.673 1.00 0.00 C ATOM 1037 O PHE A 432 0.884 -2.568 -7.027 1.00 0.00 O ATOM 1038 CB PHE A 432 1.770 -0.195 -5.023 1.00 0.00 C ATOM 1039 CG PHE A 432 2.648 -1.346 -4.621 1.00 0.00 C ATOM 1040 CD1 PHE A 432 3.856 -1.570 -5.262 1.00 0.00 C ATOM 1041 CD2 PHE A 432 2.265 -2.205 -3.602 1.00 0.00 C ATOM 1042 CE1 PHE A 432 4.666 -2.628 -4.893 1.00 0.00 C ATOM 1043 CE2 PHE A 432 3.071 -3.264 -3.229 1.00 0.00 C ATOM 1044 CZ PHE A 432 4.272 -3.476 -3.877 1.00 0.00 C ATOM 0 H PHE A 432 0.405 1.585 -6.055 1.00 0.00 H new ATOM 0 HA PHE A 432 2.164 -0.364 -7.127 1.00 0.00 H new ATOM 0 HB2 PHE A 432 2.315 0.737 -4.873 1.00 0.00 H new ATOM 0 HB3 PHE A 432 0.901 -0.165 -4.366 1.00 0.00 H new ATOM 0 HD1 PHE A 432 4.168 -0.911 -6.059 1.00 0.00 H new ATOM 0 HD2 PHE A 432 1.326 -2.045 -3.094 1.00 0.00 H new ATOM 0 HE1 PHE A 432 5.606 -2.791 -5.399 1.00 0.00 H new ATOM 0 HE2 PHE A 432 2.762 -3.924 -2.432 1.00 0.00 H new ATOM 0 HZ PHE A 432 4.902 -4.304 -3.589 1.00 0.00 H new ATOM 1054 N LEU A 433 -0.891 -1.315 -6.441 1.00 0.00 N ATOM 1055 CA LEU A 433 -1.850 -2.403 -6.595 1.00 0.00 C ATOM 1056 C LEU A 433 -2.288 -2.544 -8.050 1.00 0.00 C ATOM 1057 O LEU A 433 -2.657 -3.631 -8.494 1.00 0.00 O ATOM 1058 CB LEU A 433 -3.070 -2.164 -5.703 1.00 0.00 C ATOM 1059 CG LEU A 433 -2.955 -2.730 -4.285 1.00 0.00 C ATOM 1060 CD1 LEU A 433 -4.127 -2.269 -3.432 1.00 0.00 C ATOM 1061 CD2 LEU A 433 -2.885 -4.249 -4.322 1.00 0.00 C ATOM 0 H LEU A 433 -1.302 -0.430 -6.146 1.00 0.00 H new ATOM 0 HA LEU A 433 -1.362 -3.329 -6.292 1.00 0.00 H new ATOM 0 HB2 LEU A 433 -3.248 -1.091 -5.636 1.00 0.00 H new ATOM 0 HB3 LEU A 433 -3.944 -2.603 -6.184 1.00 0.00 H new ATOM 0 HG LEU A 433 -2.035 -2.355 -3.837 1.00 0.00 H new ATOM 0 HD11 LEU A 433 -4.030 -2.680 -2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 433 -4.133 -1.180 -3.379 1.00 0.00 H new ATOM 0 HD13 LEU A 433 -5.060 -2.616 -3.877 1.00 0.00 H new ATOM 0 HD21 LEU A 433 -2.804 -4.634 -3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 433 -3.788 -4.644 -4.788 1.00 0.00 H new ATOM 0 HD23 LEU A 433 -2.013 -4.559 -4.899 1.00 0.00 H new ATOM 1073 N GLN A 434 -2.247 -1.437 -8.788 1.00 0.00 N ATOM 1074 CA GLN A 434 -2.640 -1.440 -10.191 1.00 0.00 C ATOM 1075 C GLN A 434 -1.568 -2.093 -11.057 1.00 0.00 C ATOM 1076 O GLN A 434 -1.865 -2.655 -12.112 1.00 0.00 O ATOM 1077 CB GLN A 434 -2.899 -0.011 -10.671 1.00 0.00 C ATOM 1078 CG GLN A 434 -4.291 0.501 -10.336 1.00 0.00 C ATOM 1079 CD GLN A 434 -4.887 1.341 -11.447 1.00 0.00 C ATOM 1080 OE1 GLN A 434 -4.293 2.329 -11.881 1.00 0.00 O ATOM 1081 NE2 GLN A 434 -6.067 0.953 -11.915 1.00 0.00 N ATOM 0 H GLN A 434 -1.946 -0.528 -8.436 1.00 0.00 H new ATOM 0 HA GLN A 434 -3.558 -2.021 -10.284 1.00 0.00 H new ATOM 0 HB2 GLN A 434 -2.159 0.653 -10.224 1.00 0.00 H new ATOM 0 HB3 GLN A 434 -2.755 0.032 -11.751 1.00 0.00 H new ATOM 0 HG2 GLN A 434 -4.947 -0.346 -10.135 1.00 0.00 H new ATOM 0 HG3 GLN A 434 -4.246 1.093 -9.422 1.00 0.00 H new ATOM 0 HE21 GLN A 434 -6.524 0.128 -11.526 1.00 0.00 H new ATOM 0 HE22 GLN A 434 -6.517 1.480 -12.664 1.00 0.00 H new ATOM 1090 N LEU A 435 -0.319 -2.015 -10.607 1.00 0.00 N ATOM 1091 CA LEU A 435 0.800 -2.598 -11.342 1.00 0.00 C ATOM 1092 C LEU A 435 0.579 -4.092 -11.579 1.00 0.00 C ATOM 1093 O LEU A 435 -0.242 -4.719 -10.909 1.00 0.00 O ATOM 1094 CB LEU A 435 2.106 -2.382 -10.575 1.00 0.00 C ATOM 1095 CG LEU A 435 2.816 -1.057 -10.867 1.00 0.00 C ATOM 1096 CD1 LEU A 435 3.413 -0.480 -9.592 1.00 0.00 C ATOM 1097 CD2 LEU A 435 3.895 -1.252 -11.922 1.00 0.00 C ATOM 0 H LEU A 435 -0.056 -1.553 -9.736 1.00 0.00 H new ATOM 0 HA LEU A 435 0.865 -2.100 -12.310 1.00 0.00 H new ATOM 0 HB2 LEU A 435 1.896 -2.437 -9.507 1.00 0.00 H new ATOM 0 HB3 LEU A 435 2.787 -3.201 -10.808 1.00 0.00 H new ATOM 0 HG LEU A 435 2.082 -0.350 -11.253 1.00 0.00 H new ATOM 0 HD11 LEU A 435 3.914 0.461 -9.818 1.00 0.00 H new ATOM 0 HD12 LEU A 435 2.619 -0.304 -8.866 1.00 0.00 H new ATOM 0 HD13 LEU A 435 4.134 -1.184 -9.177 1.00 0.00 H new ATOM 0 HD21 LEU A 435 4.389 -0.300 -12.117 1.00 0.00 H new ATOM 0 HD22 LEU A 435 4.628 -1.975 -11.564 1.00 0.00 H new ATOM 0 HD23 LEU A 435 3.442 -1.621 -12.842 1.00 0.00 H new ATOM 1109 N PRO A 436 1.312 -4.681 -12.539 1.00 0.00 N ATOM 1110 CA PRO A 436 1.192 -6.107 -12.859 1.00 0.00 C ATOM 1111 C PRO A 436 1.689 -6.998 -11.727 1.00 0.00 C ATOM 1112 O PRO A 436 2.603 -6.629 -10.989 1.00 0.00 O ATOM 1113 CB PRO A 436 2.076 -6.274 -14.098 1.00 0.00 C ATOM 1114 CG PRO A 436 3.051 -5.149 -14.024 1.00 0.00 C ATOM 1115 CD PRO A 436 2.314 -4.006 -13.384 1.00 0.00 C ATOM 0 HA PRO A 436 0.155 -6.400 -13.019 1.00 0.00 H new ATOM 0 HB2 PRO A 436 2.584 -7.238 -14.095 1.00 0.00 H new ATOM 0 HB3 PRO A 436 1.487 -6.227 -15.014 1.00 0.00 H new ATOM 0 HG2 PRO A 436 3.925 -5.428 -13.436 1.00 0.00 H new ATOM 0 HG3 PRO A 436 3.408 -4.876 -15.017 1.00 0.00 H new ATOM 0 HD2 PRO A 436 2.981 -3.377 -12.794 1.00 0.00 H new ATOM 0 HD3 PRO A 436 1.845 -3.362 -14.128 1.00 0.00 H new ATOM 1123 N GLU A 437 1.080 -8.172 -11.594 1.00 0.00 N ATOM 1124 CA GLU A 437 1.459 -9.117 -10.549 1.00 0.00 C ATOM 1125 C GLU A 437 2.925 -9.519 -10.682 1.00 0.00 C ATOM 1126 O GLU A 437 3.595 -9.800 -9.688 1.00 0.00 O ATOM 1127 CB GLU A 437 0.571 -10.362 -10.611 1.00 0.00 C ATOM 1128 CG GLU A 437 0.539 -11.152 -9.315 1.00 0.00 C ATOM 1129 CD GLU A 437 -0.521 -12.236 -9.319 1.00 0.00 C ATOM 1130 OE1 GLU A 437 -0.328 -13.253 -10.018 1.00 0.00 O ATOM 1131 OE2 GLU A 437 -1.545 -12.068 -8.623 1.00 0.00 O ATOM 0 H GLU A 437 0.322 -8.492 -12.197 1.00 0.00 H new ATOM 0 HA GLU A 437 1.321 -8.627 -9.585 1.00 0.00 H new ATOM 0 HB2 GLU A 437 -0.445 -10.061 -10.868 1.00 0.00 H new ATOM 0 HB3 GLU A 437 0.924 -11.010 -11.413 1.00 0.00 H new ATOM 0 HG2 GLU A 437 1.516 -11.605 -9.146 1.00 0.00 H new ATOM 0 HG3 GLU A 437 0.355 -10.472 -8.484 1.00 0.00 H new ATOM 1138 N ALA A 438 3.418 -9.541 -11.916 1.00 0.00 N ATOM 1139 CA ALA A 438 4.804 -9.908 -12.178 1.00 0.00 C ATOM 1140 C ALA A 438 5.767 -8.966 -11.464 1.00 0.00 C ATOM 1141 O ALA A 438 6.729 -9.405 -10.834 1.00 0.00 O ATOM 1142 CB ALA A 438 5.074 -9.905 -13.676 1.00 0.00 C ATOM 0 H ALA A 438 2.878 -9.309 -12.750 1.00 0.00 H new ATOM 0 HA ALA A 438 4.968 -10.913 -11.790 1.00 0.00 H new ATOM 0 HB1 ALA A 438 6.113 -10.181 -13.859 1.00 0.00 H new ATOM 0 HB2 ALA A 438 4.416 -10.623 -14.166 1.00 0.00 H new ATOM 0 HB3 ALA A 438 4.887 -8.909 -14.077 1.00 0.00 H new ATOM 1148 N GLU A 439 5.503 -7.667 -11.567 1.00 0.00 N ATOM 1149 CA GLU A 439 6.346 -6.662 -10.930 1.00 0.00 C ATOM 1150 C GLU A 439 6.197 -6.707 -9.413 1.00 0.00 C ATOM 1151 O GLU A 439 7.184 -6.658 -8.680 1.00 0.00 O ATOM 1152 CB GLU A 439 5.993 -5.268 -11.451 1.00 0.00 C ATOM 1153 CG GLU A 439 6.812 -4.846 -12.659 1.00 0.00 C ATOM 1154 CD GLU A 439 6.418 -5.590 -13.919 1.00 0.00 C ATOM 1155 OE1 GLU A 439 6.645 -6.817 -13.980 1.00 0.00 O ATOM 1156 OE2 GLU A 439 5.881 -4.946 -14.846 1.00 0.00 O ATOM 0 H GLU A 439 4.712 -7.286 -12.086 1.00 0.00 H new ATOM 0 HA GLU A 439 7.384 -6.883 -11.179 1.00 0.00 H new ATOM 0 HB2 GLU A 439 4.935 -5.244 -11.713 1.00 0.00 H new ATOM 0 HB3 GLU A 439 6.140 -4.542 -10.651 1.00 0.00 H new ATOM 0 HG2 GLU A 439 6.689 -3.775 -12.820 1.00 0.00 H new ATOM 0 HG3 GLU A 439 7.869 -5.018 -12.455 1.00 0.00 H new ATOM 1163 N ARG A 440 4.954 -6.795 -8.948 1.00 0.00 N ATOM 1164 CA ARG A 440 4.676 -6.844 -7.516 1.00 0.00 C ATOM 1165 C ARG A 440 5.384 -8.028 -6.864 1.00 0.00 C ATOM 1166 O ARG A 440 5.862 -7.933 -5.734 1.00 0.00 O ATOM 1167 CB ARG A 440 3.169 -6.937 -7.272 1.00 0.00 C ATOM 1168 CG ARG A 440 2.476 -5.584 -7.231 1.00 0.00 C ATOM 1169 CD ARG A 440 1.342 -5.571 -6.217 1.00 0.00 C ATOM 1170 NE ARG A 440 0.151 -6.252 -6.718 1.00 0.00 N ATOM 1171 CZ ARG A 440 -0.600 -5.795 -7.717 1.00 0.00 C ATOM 1172 NH1 ARG A 440 -0.287 -4.656 -8.323 1.00 0.00 N ATOM 1173 NH2 ARG A 440 -1.665 -6.477 -8.113 1.00 0.00 N ATOM 0 H ARG A 440 4.125 -6.834 -9.541 1.00 0.00 H new ATOM 0 HA ARG A 440 5.054 -5.926 -7.065 1.00 0.00 H new ATOM 0 HB2 ARG A 440 2.719 -7.543 -8.058 1.00 0.00 H new ATOM 0 HB3 ARG A 440 2.993 -7.455 -6.329 1.00 0.00 H new ATOM 0 HG2 ARG A 440 3.201 -4.810 -6.978 1.00 0.00 H new ATOM 0 HG3 ARG A 440 2.085 -5.344 -8.220 1.00 0.00 H new ATOM 0 HD2 ARG A 440 1.674 -6.051 -5.296 1.00 0.00 H new ATOM 0 HD3 ARG A 440 1.092 -4.540 -5.967 1.00 0.00 H new ATOM 0 HE ARG A 440 -0.121 -7.130 -6.276 1.00 0.00 H new ATOM 0 HH11 ARG A 440 0.532 -4.127 -8.023 1.00 0.00 H new ATOM 0 HH12 ARG A 440 -0.866 -4.310 -9.088 1.00 0.00 H new ATOM 0 HH21 ARG A 440 -1.910 -7.353 -7.652 1.00 0.00 H new ATOM 0 HH22 ARG A 440 -2.240 -6.126 -8.879 1.00 0.00 H new ATOM 1187 N ASP A 441 5.448 -9.143 -7.585 1.00 0.00 N ATOM 1188 CA ASP A 441 6.099 -10.345 -7.075 1.00 0.00 C ATOM 1189 C ASP A 441 7.594 -10.113 -6.887 1.00 0.00 C ATOM 1190 O ASP A 441 8.192 -10.604 -5.929 1.00 0.00 O ATOM 1191 CB ASP A 441 5.867 -11.520 -8.028 1.00 0.00 C ATOM 1192 CG ASP A 441 5.543 -12.805 -7.293 1.00 0.00 C ATOM 1193 OD1 ASP A 441 6.432 -13.322 -6.582 1.00 0.00 O ATOM 1194 OD2 ASP A 441 4.403 -13.295 -7.427 1.00 0.00 O ATOM 0 H ASP A 441 5.058 -9.239 -8.522 1.00 0.00 H new ATOM 0 HA ASP A 441 5.662 -10.583 -6.105 1.00 0.00 H new ATOM 0 HB2 ASP A 441 5.050 -11.277 -8.707 1.00 0.00 H new ATOM 0 HB3 ASP A 441 6.757 -11.669 -8.640 1.00 0.00 H new ATOM 1199 N ARG A 442 8.191 -9.360 -7.805 1.00 0.00 N ATOM 1200 CA ARG A 442 9.618 -9.062 -7.740 1.00 0.00 C ATOM 1201 C ARG A 442 9.907 -8.025 -6.658 1.00 0.00 C ATOM 1202 O ARG A 442 10.946 -8.071 -6.003 1.00 0.00 O ATOM 1203 CB ARG A 442 10.118 -8.559 -9.094 1.00 0.00 C ATOM 1204 CG ARG A 442 10.775 -9.640 -9.940 1.00 0.00 C ATOM 1205 CD ARG A 442 10.337 -9.559 -11.393 1.00 0.00 C ATOM 1206 NE ARG A 442 10.484 -8.211 -11.936 1.00 0.00 N ATOM 1207 CZ ARG A 442 10.501 -7.935 -13.238 1.00 0.00 C ATOM 1208 NH1 ARG A 442 10.382 -8.907 -14.132 1.00 0.00 N ATOM 1209 NH2 ARG A 442 10.637 -6.680 -13.647 1.00 0.00 N ATOM 0 H ARG A 442 7.709 -8.945 -8.603 1.00 0.00 H new ATOM 0 HA ARG A 442 10.146 -9.982 -7.487 1.00 0.00 H new ATOM 0 HB2 ARG A 442 9.280 -8.136 -9.647 1.00 0.00 H new ATOM 0 HB3 ARG A 442 10.833 -7.752 -8.931 1.00 0.00 H new ATOM 0 HG2 ARG A 442 11.859 -9.541 -9.880 1.00 0.00 H new ATOM 0 HG3 ARG A 442 10.522 -10.621 -9.538 1.00 0.00 H new ATOM 0 HD2 ARG A 442 10.927 -10.256 -11.989 1.00 0.00 H new ATOM 0 HD3 ARG A 442 9.296 -9.871 -11.475 1.00 0.00 H new ATOM 0 HE ARG A 442 10.579 -7.436 -11.279 1.00 0.00 H new ATOM 0 HH11 ARG A 442 10.277 -9.874 -13.824 1.00 0.00 H new ATOM 0 HH12 ARG A 442 10.396 -8.688 -15.128 1.00 0.00 H new ATOM 0 HH21 ARG A 442 10.728 -5.928 -12.964 1.00 0.00 H new ATOM 0 HH22 ARG A 442 10.650 -6.467 -14.644 1.00 0.00 H new ATOM 1223 N ILE A 443 8.979 -7.091 -6.477 1.00 0.00 N ATOM 1224 CA ILE A 443 9.133 -6.043 -5.474 1.00 0.00 C ATOM 1225 C ILE A 443 8.878 -6.576 -4.065 1.00 0.00 C ATOM 1226 O ILE A 443 9.154 -5.895 -3.077 1.00 0.00 O ATOM 1227 CB ILE A 443 8.180 -4.861 -5.744 1.00 0.00 C ATOM 1228 CG1 ILE A 443 8.329 -4.375 -7.188 1.00 0.00 C ATOM 1229 CG2 ILE A 443 8.450 -3.726 -4.768 1.00 0.00 C ATOM 1230 CD1 ILE A 443 7.054 -3.805 -7.769 1.00 0.00 C ATOM 0 H ILE A 443 8.112 -7.038 -7.012 1.00 0.00 H new ATOM 0 HA ILE A 443 10.164 -5.695 -5.543 1.00 0.00 H new ATOM 0 HB ILE A 443 7.155 -5.202 -5.599 1.00 0.00 H new ATOM 0 HG12 ILE A 443 9.109 -3.614 -7.228 1.00 0.00 H new ATOM 0 HG13 ILE A 443 8.662 -5.206 -7.810 1.00 0.00 H new ATOM 0 HG21 ILE A 443 7.769 -2.900 -4.973 1.00 0.00 H new ATOM 0 HG22 ILE A 443 8.296 -4.079 -3.748 1.00 0.00 H new ATOM 0 HG23 ILE A 443 9.479 -3.385 -4.883 1.00 0.00 H new ATOM 0 HD11 ILE A 443 7.234 -3.481 -8.794 1.00 0.00 H new ATOM 0 HD12 ILE A 443 6.277 -4.570 -7.761 1.00 0.00 H new ATOM 0 HD13 ILE A 443 6.731 -2.953 -7.171 1.00 0.00 H new ATOM 1242 N TYR A 444 8.351 -7.796 -3.974 1.00 0.00 N ATOM 1243 CA TYR A 444 8.064 -8.408 -2.683 1.00 0.00 C ATOM 1244 C TYR A 444 9.209 -9.315 -2.241 1.00 0.00 C ATOM 1245 O TYR A 444 9.449 -9.493 -1.048 1.00 0.00 O ATOM 1246 CB TYR A 444 6.764 -9.210 -2.752 1.00 0.00 C ATOM 1247 CG TYR A 444 5.522 -8.378 -2.522 1.00 0.00 C ATOM 1248 CD1 TYR A 444 5.469 -7.442 -1.497 1.00 0.00 C ATOM 1249 CD2 TYR A 444 4.402 -8.531 -3.330 1.00 0.00 C ATOM 1250 CE1 TYR A 444 4.334 -6.681 -1.284 1.00 0.00 C ATOM 1251 CE2 TYR A 444 3.265 -7.773 -3.124 1.00 0.00 C ATOM 1252 CZ TYR A 444 3.236 -6.851 -2.100 1.00 0.00 C ATOM 1253 OH TYR A 444 2.106 -6.094 -1.891 1.00 0.00 O ATOM 0 H TYR A 444 8.115 -8.377 -4.779 1.00 0.00 H new ATOM 0 HA TYR A 444 7.953 -7.609 -1.950 1.00 0.00 H new ATOM 0 HB2 TYR A 444 6.694 -9.688 -3.729 1.00 0.00 H new ATOM 0 HB3 TYR A 444 6.799 -10.007 -2.009 1.00 0.00 H new ATOM 0 HD1 TYR A 444 6.328 -7.306 -0.856 1.00 0.00 H new ATOM 0 HD2 TYR A 444 4.420 -9.254 -4.132 1.00 0.00 H new ATOM 0 HE1 TYR A 444 4.308 -5.957 -0.483 1.00 0.00 H new ATOM 0 HE2 TYR A 444 2.403 -7.902 -3.762 1.00 0.00 H new ATOM 0 HH TYR A 444 1.424 -6.335 -2.552 1.00 0.00 H new ATOM 1263 N GLN A 445 9.911 -9.890 -3.213 1.00 0.00 N ATOM 1264 CA GLN A 445 11.028 -10.782 -2.925 1.00 0.00 C ATOM 1265 C GLN A 445 12.364 -10.040 -2.979 1.00 0.00 C ATOM 1266 O GLN A 445 13.377 -10.534 -2.486 1.00 0.00 O ATOM 1267 CB GLN A 445 11.041 -11.950 -3.914 1.00 0.00 C ATOM 1268 CG GLN A 445 9.847 -12.880 -3.770 1.00 0.00 C ATOM 1269 CD GLN A 445 10.240 -14.267 -3.298 1.00 0.00 C ATOM 1270 OE1 GLN A 445 10.893 -14.422 -2.267 1.00 0.00 O ATOM 1271 NE2 GLN A 445 9.844 -15.284 -4.054 1.00 0.00 N ATOM 0 H GLN A 445 9.726 -9.754 -4.207 1.00 0.00 H new ATOM 0 HA GLN A 445 10.894 -11.166 -1.914 1.00 0.00 H new ATOM 0 HB2 GLN A 445 11.064 -11.555 -4.930 1.00 0.00 H new ATOM 0 HB3 GLN A 445 11.957 -12.524 -3.774 1.00 0.00 H new ATOM 0 HG2 GLN A 445 9.138 -12.448 -3.064 1.00 0.00 H new ATOM 0 HG3 GLN A 445 9.335 -12.958 -4.729 1.00 0.00 H new ATOM 0 HE21 GLN A 445 9.304 -15.109 -4.901 1.00 0.00 H new ATOM 0 HE22 GLN A 445 10.080 -16.240 -3.787 1.00 0.00 H new