USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 495 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 365 SER OG : rot 180:sc= 0 USER MOD Single : A 366 SER OG : rot 180:sc= 0 USER MOD Single : A 368 SER OG : rot 180:sc= 0 USER MOD Single : A 369 SER OG : rot 180:sc= -0.0983 USER MOD Single : A 371 ASN : amide:sc= -0.521 K(o=-0.52,f=-2.5!) USER MOD Single : A 374 TYR OH : rot 180:sc= 0 USER MOD Single : A 385 HIS : no HD1:sc= -0.826 K(o=-0.83,f=-1.9!) USER MOD Single : A 386 THR OG1 : rot 180:sc= 0 USER MOD Single : A 387 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.507) USER MOD Single : A 391 THR OG1 : rot 180:sc= 0 USER MOD Single : A 396 THR OG1 : rot 180:sc= 0 USER MOD Single : A 397 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-3!) USER MOD Single : A 398 TYR OH : rot 74:sc= 1.14 USER MOD Single : A 401 LYS NZ :NH3+ -115:sc= -0.221 (180deg=-2.44!) USER MOD Single : A 403 CYS SG : rot 180:sc= 0 USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 407 TYR OH : rot 180:sc= 0 USER MOD Single : A 410 SER OG : rot 0:sc= -3.39! USER MOD Single : A 411 THR OG1 : rot 180:sc= -0.171 USER MOD Single : A 422 LYS NZ :NH3+ -161:sc= -0.0366 (180deg=-0.322) USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 428 SER OG : rot 180:sc= 0 USER MOD Single : A 430 GLN : amide:sc= -0.146 K(o=-0.15,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 364 9.443 21.299 8.924 1.00 0.00 N ATOM 2 CA GLY A 364 10.407 22.153 9.593 1.00 0.00 C ATOM 3 C GLY A 364 11.822 21.927 9.100 1.00 0.00 C ATOM 4 O GLY A 364 12.268 20.787 8.971 1.00 0.00 O ATOM 0 HA2 GLY A 364 10.133 23.196 9.437 1.00 0.00 H new ATOM 0 HA3 GLY A 364 10.366 21.970 10.667 1.00 0.00 H new ATOM 8 N SER A 365 12.531 23.017 8.821 1.00 0.00 N ATOM 9 CA SER A 365 13.903 22.932 8.333 1.00 0.00 C ATOM 10 C SER A 365 14.888 23.401 9.400 1.00 0.00 C ATOM 11 O SER A 365 15.795 24.185 9.121 1.00 0.00 O ATOM 12 CB SER A 365 14.068 23.772 7.065 1.00 0.00 C ATOM 13 OG SER A 365 13.756 23.016 5.908 1.00 0.00 O ATOM 0 H SER A 365 12.178 23.968 8.925 1.00 0.00 H new ATOM 0 HA SER A 365 14.117 21.889 8.099 1.00 0.00 H new ATOM 0 HB2 SER A 365 13.420 24.647 7.118 1.00 0.00 H new ATOM 0 HB3 SER A 365 15.092 24.138 6.998 1.00 0.00 H new ATOM 0 HG SER A 365 13.868 23.576 5.111 1.00 0.00 H new ATOM 19 N SER A 366 14.703 22.914 10.623 1.00 0.00 N ATOM 20 CA SER A 366 15.572 23.286 11.733 1.00 0.00 C ATOM 21 C SER A 366 17.008 23.483 11.256 1.00 0.00 C ATOM 22 O SER A 366 17.566 24.573 11.366 1.00 0.00 O ATOM 23 CB SER A 366 15.527 22.214 12.824 1.00 0.00 C ATOM 24 OG SER A 366 14.415 22.405 13.681 1.00 0.00 O ATOM 0 H SER A 366 13.959 22.261 10.870 1.00 0.00 H new ATOM 0 HA SER A 366 15.212 24.229 12.145 1.00 0.00 H new ATOM 0 HB2 SER A 366 15.472 21.227 12.366 1.00 0.00 H new ATOM 0 HB3 SER A 366 16.448 22.244 13.406 1.00 0.00 H new ATOM 0 HG SER A 366 14.408 21.706 14.368 1.00 0.00 H new ATOM 30 N GLY A 367 17.600 22.417 10.726 1.00 0.00 N ATOM 31 CA GLY A 367 18.966 22.492 10.241 1.00 0.00 C ATOM 32 C GLY A 367 19.533 21.130 9.893 1.00 0.00 C ATOM 33 O GLY A 367 20.340 20.577 10.640 1.00 0.00 O ATOM 0 H GLY A 367 17.158 21.503 10.624 1.00 0.00 H new ATOM 0 HA2 GLY A 367 19.001 23.133 9.360 1.00 0.00 H new ATOM 0 HA3 GLY A 367 19.593 22.960 11.000 1.00 0.00 H new ATOM 37 N SER A 368 19.110 20.587 8.755 1.00 0.00 N ATOM 38 CA SER A 368 19.577 19.279 8.313 1.00 0.00 C ATOM 39 C SER A 368 19.179 18.194 9.309 1.00 0.00 C ATOM 40 O SER A 368 19.972 17.309 9.629 1.00 0.00 O ATOM 41 CB SER A 368 21.096 19.290 8.133 1.00 0.00 C ATOM 42 OG SER A 368 21.452 19.688 6.820 1.00 0.00 O ATOM 0 H SER A 368 18.445 21.033 8.123 1.00 0.00 H new ATOM 0 HA SER A 368 19.107 19.058 7.355 1.00 0.00 H new ATOM 0 HB2 SER A 368 21.546 19.970 8.857 1.00 0.00 H new ATOM 0 HB3 SER A 368 21.497 18.297 8.336 1.00 0.00 H new ATOM 0 HG SER A 368 22.428 19.688 6.732 1.00 0.00 H new ATOM 48 N SER A 369 17.945 18.270 9.796 1.00 0.00 N ATOM 49 CA SER A 369 17.441 17.298 10.759 1.00 0.00 C ATOM 50 C SER A 369 16.029 16.852 10.393 1.00 0.00 C ATOM 51 O SER A 369 15.410 17.398 9.480 1.00 0.00 O ATOM 52 CB SER A 369 17.452 17.893 12.168 1.00 0.00 C ATOM 53 OG SER A 369 17.176 16.901 13.142 1.00 0.00 O ATOM 0 H SER A 369 17.275 18.995 9.539 1.00 0.00 H new ATOM 0 HA SER A 369 18.095 16.426 10.735 1.00 0.00 H new ATOM 0 HB2 SER A 369 18.424 18.344 12.368 1.00 0.00 H new ATOM 0 HB3 SER A 369 16.711 18.690 12.236 1.00 0.00 H new ATOM 0 HG SER A 369 17.190 17.306 14.034 1.00 0.00 H new ATOM 59 N GLY A 370 15.524 15.856 11.114 1.00 0.00 N ATOM 60 CA GLY A 370 14.189 15.352 10.851 1.00 0.00 C ATOM 61 C GLY A 370 13.351 15.247 12.110 1.00 0.00 C ATOM 62 O GLY A 370 13.490 16.056 13.026 1.00 0.00 O ATOM 0 H GLY A 370 16.016 15.389 11.876 1.00 0.00 H new ATOM 0 HA2 GLY A 370 13.689 16.009 10.139 1.00 0.00 H new ATOM 0 HA3 GLY A 370 14.260 14.370 10.383 1.00 0.00 H new ATOM 66 N ASN A 371 12.476 14.247 12.155 1.00 0.00 N ATOM 67 CA ASN A 371 11.610 14.040 13.310 1.00 0.00 C ATOM 68 C ASN A 371 11.862 12.674 13.941 1.00 0.00 C ATOM 69 O ASN A 371 12.337 11.742 13.293 1.00 0.00 O ATOM 70 CB ASN A 371 10.141 14.163 12.901 1.00 0.00 C ATOM 71 CG ASN A 371 9.876 13.593 11.521 1.00 0.00 C ATOM 72 OD1 ASN A 371 10.420 14.071 10.525 1.00 0.00 O ATOM 73 ND2 ASN A 371 9.036 12.567 11.456 1.00 0.00 N ATOM 0 H ASN A 371 12.348 13.568 11.405 1.00 0.00 H new ATOM 0 HA ASN A 371 11.840 14.809 14.048 1.00 0.00 H new ATOM 0 HB2 ASN A 371 9.519 13.645 13.631 1.00 0.00 H new ATOM 0 HB3 ASN A 371 9.848 15.213 12.920 1.00 0.00 H new ATOM 0 HD21 ASN A 371 8.818 12.142 10.554 1.00 0.00 H new ATOM 0 HD22 ASN A 371 8.608 12.203 12.308 1.00 0.00 H new ATOM 80 N PRO A 372 11.536 12.552 15.237 1.00 0.00 N ATOM 81 CA PRO A 372 11.717 11.303 15.984 1.00 0.00 C ATOM 82 C PRO A 372 10.748 10.214 15.536 1.00 0.00 C ATOM 83 O PRO A 372 9.536 10.338 15.712 1.00 0.00 O ATOM 84 CB PRO A 372 11.431 11.712 17.431 1.00 0.00 C ATOM 85 CG PRO A 372 10.540 12.900 17.320 1.00 0.00 C ATOM 86 CD PRO A 372 10.965 13.622 16.072 1.00 0.00 C ATOM 0 HA PRO A 372 12.710 10.878 15.835 1.00 0.00 H new ATOM 0 HB2 PRO A 372 10.948 10.905 17.982 1.00 0.00 H new ATOM 0 HB3 PRO A 372 12.351 11.955 17.963 1.00 0.00 H new ATOM 0 HG2 PRO A 372 9.494 12.599 17.259 1.00 0.00 H new ATOM 0 HG3 PRO A 372 10.636 13.543 18.195 1.00 0.00 H new ATOM 0 HD2 PRO A 372 10.121 14.108 15.582 1.00 0.00 H new ATOM 0 HD3 PRO A 372 11.699 14.399 16.287 1.00 0.00 H new ATOM 94 N ASP A 373 11.291 9.149 14.956 1.00 0.00 N ATOM 95 CA ASP A 373 10.474 8.037 14.484 1.00 0.00 C ATOM 96 C ASP A 373 10.655 6.813 15.377 1.00 0.00 C ATOM 97 O ASP A 373 11.461 6.824 16.307 1.00 0.00 O ATOM 98 CB ASP A 373 10.835 7.688 13.040 1.00 0.00 C ATOM 99 CG ASP A 373 10.080 8.534 12.034 1.00 0.00 C ATOM 100 OD1 ASP A 373 8.952 8.149 11.663 1.00 0.00 O ATOM 101 OD2 ASP A 373 10.618 9.581 11.617 1.00 0.00 O ATOM 0 H ASP A 373 12.292 9.032 14.802 1.00 0.00 H new ATOM 0 HA ASP A 373 9.429 8.343 14.525 1.00 0.00 H new ATOM 0 HB2 ASP A 373 11.906 7.824 12.893 1.00 0.00 H new ATOM 0 HB3 ASP A 373 10.620 6.635 12.859 1.00 0.00 H new ATOM 106 N TYR A 374 9.899 5.759 15.088 1.00 0.00 N ATOM 107 CA TYR A 374 9.973 4.529 15.866 1.00 0.00 C ATOM 108 C TYR A 374 11.214 3.723 15.494 1.00 0.00 C ATOM 109 O TYR A 374 11.890 3.166 16.360 1.00 0.00 O ATOM 110 CB TYR A 374 8.717 3.684 15.644 1.00 0.00 C ATOM 111 CG TYR A 374 8.941 2.202 15.846 1.00 0.00 C ATOM 112 CD1 TYR A 374 9.398 1.708 17.062 1.00 0.00 C ATOM 113 CD2 TYR A 374 8.694 1.296 14.822 1.00 0.00 C ATOM 114 CE1 TYR A 374 9.604 0.355 17.250 1.00 0.00 C ATOM 115 CE2 TYR A 374 8.896 -0.058 15.002 1.00 0.00 C ATOM 116 CZ TYR A 374 9.352 -0.524 16.218 1.00 0.00 C ATOM 117 OH TYR A 374 9.555 -1.873 16.402 1.00 0.00 O ATOM 0 H TYR A 374 9.228 5.733 14.320 1.00 0.00 H new ATOM 0 HA TYR A 374 10.040 4.799 16.920 1.00 0.00 H new ATOM 0 HB2 TYR A 374 7.937 4.021 16.326 1.00 0.00 H new ATOM 0 HB3 TYR A 374 8.350 3.853 14.632 1.00 0.00 H new ATOM 0 HD1 TYR A 374 9.595 2.393 17.873 1.00 0.00 H new ATOM 0 HD2 TYR A 374 8.338 1.657 13.869 1.00 0.00 H new ATOM 0 HE1 TYR A 374 9.961 -0.013 18.201 1.00 0.00 H new ATOM 0 HE2 TYR A 374 8.698 -0.748 14.195 1.00 0.00 H new ATOM 0 HH TYR A 374 9.329 -2.353 15.578 1.00 0.00 H new ATOM 127 N VAL A 375 11.508 3.666 14.199 1.00 0.00 N ATOM 128 CA VAL A 375 12.668 2.930 13.710 1.00 0.00 C ATOM 129 C VAL A 375 13.422 3.731 12.655 1.00 0.00 C ATOM 130 O VAL A 375 12.816 4.422 11.836 1.00 0.00 O ATOM 131 CB VAL A 375 12.260 1.571 13.113 1.00 0.00 C ATOM 132 CG1 VAL A 375 11.296 1.765 11.952 1.00 0.00 C ATOM 133 CG2 VAL A 375 13.490 0.793 12.670 1.00 0.00 C ATOM 0 H VAL A 375 10.959 4.121 13.470 1.00 0.00 H new ATOM 0 HA VAL A 375 13.319 2.760 14.567 1.00 0.00 H new ATOM 0 HB VAL A 375 11.751 0.993 13.884 1.00 0.00 H new ATOM 0 HG11 VAL A 375 11.019 0.793 11.543 1.00 0.00 H new ATOM 0 HG12 VAL A 375 10.402 2.279 12.304 1.00 0.00 H new ATOM 0 HG13 VAL A 375 11.776 2.362 11.176 1.00 0.00 H new ATOM 0 HG21 VAL A 375 13.183 -0.165 12.251 1.00 0.00 H new ATOM 0 HG22 VAL A 375 14.029 1.364 11.914 1.00 0.00 H new ATOM 0 HG23 VAL A 375 14.141 0.622 13.528 1.00 0.00 H new ATOM 143 N GLU A 376 14.748 3.633 12.680 1.00 0.00 N ATOM 144 CA GLU A 376 15.584 4.349 11.725 1.00 0.00 C ATOM 145 C GLU A 376 15.679 3.587 10.406 1.00 0.00 C ATOM 146 O GLU A 376 16.626 2.834 10.177 1.00 0.00 O ATOM 147 CB GLU A 376 16.985 4.567 12.302 1.00 0.00 C ATOM 148 CG GLU A 376 17.047 5.665 13.351 1.00 0.00 C ATOM 149 CD GLU A 376 16.299 5.303 14.619 1.00 0.00 C ATOM 150 OE1 GLU A 376 16.720 4.346 15.302 1.00 0.00 O ATOM 151 OE2 GLU A 376 15.294 5.976 14.928 1.00 0.00 O ATOM 0 H GLU A 376 15.265 3.065 13.351 1.00 0.00 H new ATOM 0 HA GLU A 376 15.123 5.318 11.533 1.00 0.00 H new ATOM 0 HB2 GLU A 376 17.336 3.634 12.743 1.00 0.00 H new ATOM 0 HB3 GLU A 376 17.669 4.813 11.490 1.00 0.00 H new ATOM 0 HG2 GLU A 376 18.089 5.871 13.595 1.00 0.00 H new ATOM 0 HG3 GLU A 376 16.629 6.582 12.936 1.00 0.00 H new ATOM 158 N VAL A 377 14.690 3.789 9.541 1.00 0.00 N ATOM 159 CA VAL A 377 14.660 3.122 8.244 1.00 0.00 C ATOM 160 C VAL A 377 15.949 3.372 7.468 1.00 0.00 C ATOM 161 O VAL A 377 16.503 4.471 7.503 1.00 0.00 O ATOM 162 CB VAL A 377 13.464 3.594 7.397 1.00 0.00 C ATOM 163 CG1 VAL A 377 13.573 3.064 5.976 1.00 0.00 C ATOM 164 CG2 VAL A 377 12.154 3.159 8.038 1.00 0.00 C ATOM 0 H VAL A 377 13.899 4.409 9.715 1.00 0.00 H new ATOM 0 HA VAL A 377 14.558 2.055 8.439 1.00 0.00 H new ATOM 0 HB VAL A 377 13.478 4.683 7.354 1.00 0.00 H new ATOM 0 HG11 VAL A 377 12.719 3.408 5.393 1.00 0.00 H new ATOM 0 HG12 VAL A 377 14.494 3.429 5.521 1.00 0.00 H new ATOM 0 HG13 VAL A 377 13.585 1.974 5.994 1.00 0.00 H new ATOM 0 HG21 VAL A 377 11.319 3.501 7.427 1.00 0.00 H new ATOM 0 HG22 VAL A 377 12.129 2.072 8.112 1.00 0.00 H new ATOM 0 HG23 VAL A 377 12.075 3.593 9.035 1.00 0.00 H new ATOM 174 N ASP A 378 16.420 2.346 6.768 1.00 0.00 N ATOM 175 CA ASP A 378 17.643 2.455 5.981 1.00 0.00 C ATOM 176 C ASP A 378 17.354 3.055 4.609 1.00 0.00 C ATOM 177 O ASP A 378 17.927 4.079 4.235 1.00 0.00 O ATOM 178 CB ASP A 378 18.297 1.082 5.824 1.00 0.00 C ATOM 179 CG ASP A 378 19.763 1.178 5.450 1.00 0.00 C ATOM 180 OD1 ASP A 378 20.156 2.198 4.846 1.00 0.00 O ATOM 181 OD2 ASP A 378 20.518 0.234 5.762 1.00 0.00 O ATOM 0 H ASP A 378 15.974 1.430 6.729 1.00 0.00 H new ATOM 0 HA ASP A 378 18.329 3.117 6.510 1.00 0.00 H new ATOM 0 HB2 ASP A 378 18.199 0.527 6.757 1.00 0.00 H new ATOM 0 HB3 ASP A 378 17.766 0.515 5.059 1.00 0.00 H new ATOM 186 N ARG A 379 16.464 2.410 3.862 1.00 0.00 N ATOM 187 CA ARG A 379 16.101 2.879 2.530 1.00 0.00 C ATOM 188 C ARG A 379 14.972 2.035 1.945 1.00 0.00 C ATOM 189 O ARG A 379 14.428 1.158 2.617 1.00 0.00 O ATOM 190 CB ARG A 379 17.317 2.836 1.603 1.00 0.00 C ATOM 191 CG ARG A 379 17.940 1.455 1.478 1.00 0.00 C ATOM 192 CD ARG A 379 18.903 1.382 0.303 1.00 0.00 C ATOM 193 NE ARG A 379 18.208 1.456 -0.979 1.00 0.00 N ATOM 194 CZ ARG A 379 18.830 1.597 -2.145 1.00 0.00 C ATOM 195 NH1 ARG A 379 20.153 1.680 -2.188 1.00 0.00 N ATOM 196 NH2 ARG A 379 18.128 1.656 -3.269 1.00 0.00 N ATOM 0 H ARG A 379 15.981 1.561 4.156 1.00 0.00 H new ATOM 0 HA ARG A 379 15.754 3.909 2.616 1.00 0.00 H new ATOM 0 HB2 ARG A 379 17.021 3.182 0.613 1.00 0.00 H new ATOM 0 HB3 ARG A 379 18.070 3.533 1.972 1.00 0.00 H new ATOM 0 HG2 ARG A 379 18.469 1.209 2.399 1.00 0.00 H new ATOM 0 HG3 ARG A 379 17.154 0.710 1.352 1.00 0.00 H new ATOM 0 HD2 ARG A 379 19.623 2.198 0.373 1.00 0.00 H new ATOM 0 HD3 ARG A 379 19.469 0.452 0.355 1.00 0.00 H new ATOM 0 HE ARG A 379 17.190 1.396 -0.980 1.00 0.00 H new ATOM 0 HH11 ARG A 379 20.695 1.636 -1.325 1.00 0.00 H new ATOM 0 HH12 ARG A 379 20.628 1.788 -3.084 1.00 0.00 H new ATOM 0 HH21 ARG A 379 17.110 1.593 -3.239 1.00 0.00 H new ATOM 0 HH22 ARG A 379 18.606 1.764 -4.164 1.00 0.00 H new ATOM 210 N ILE A 380 14.627 2.306 0.691 1.00 0.00 N ATOM 211 CA ILE A 380 13.564 1.571 0.017 1.00 0.00 C ATOM 212 C ILE A 380 14.131 0.632 -1.042 1.00 0.00 C ATOM 213 O ILE A 380 15.108 0.957 -1.717 1.00 0.00 O ATOM 214 CB ILE A 380 12.554 2.526 -0.648 1.00 0.00 C ATOM 215 CG1 ILE A 380 11.919 3.441 0.401 1.00 0.00 C ATOM 216 CG2 ILE A 380 11.484 1.735 -1.386 1.00 0.00 C ATOM 217 CD1 ILE A 380 11.269 4.674 -0.188 1.00 0.00 C ATOM 0 H ILE A 380 15.068 3.028 0.122 1.00 0.00 H new ATOM 0 HA ILE A 380 13.051 0.986 0.781 1.00 0.00 H new ATOM 0 HB ILE A 380 13.084 3.146 -1.371 1.00 0.00 H new ATOM 0 HG12 ILE A 380 11.171 2.877 0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 380 12.684 3.749 1.114 1.00 0.00 H new ATOM 0 HG21 ILE A 380 10.778 2.423 -1.850 1.00 0.00 H new ATOM 0 HG22 ILE A 380 11.951 1.121 -2.156 1.00 0.00 H new ATOM 0 HG23 ILE A 380 10.955 1.093 -0.681 1.00 0.00 H new ATOM 0 HD11 ILE A 380 10.840 5.277 0.612 1.00 0.00 H new ATOM 0 HD12 ILE A 380 12.017 5.260 -0.722 1.00 0.00 H new ATOM 0 HD13 ILE A 380 10.481 4.375 -0.880 1.00 0.00 H new ATOM 229 N LEU A 381 13.511 -0.534 -1.184 1.00 0.00 N ATOM 230 CA LEU A 381 13.952 -1.522 -2.163 1.00 0.00 C ATOM 231 C LEU A 381 13.117 -1.436 -3.436 1.00 0.00 C ATOM 232 O LEU A 381 13.642 -1.168 -4.516 1.00 0.00 O ATOM 233 CB LEU A 381 13.860 -2.930 -1.573 1.00 0.00 C ATOM 234 CG LEU A 381 15.004 -3.346 -0.647 1.00 0.00 C ATOM 235 CD1 LEU A 381 14.736 -4.719 -0.051 1.00 0.00 C ATOM 236 CD2 LEU A 381 16.328 -3.337 -1.397 1.00 0.00 C ATOM 0 H LEU A 381 12.701 -0.819 -0.634 1.00 0.00 H new ATOM 0 HA LEU A 381 14.990 -1.308 -2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 381 12.924 -3.010 -1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 381 13.807 -3.644 -2.395 1.00 0.00 H new ATOM 0 HG LEU A 381 15.066 -2.625 0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 381 15.561 -4.998 0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 381 13.809 -4.692 0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 381 14.646 -5.452 -0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 381 17.130 -3.636 -0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 381 16.278 -4.035 -2.232 1.00 0.00 H new ATOM 0 HD23 LEU A 381 16.526 -2.334 -1.774 1.00 0.00 H new ATOM 248 N GLU A 382 11.815 -1.665 -3.301 1.00 0.00 N ATOM 249 CA GLU A 382 10.908 -1.612 -4.441 1.00 0.00 C ATOM 250 C GLU A 382 9.501 -1.219 -4.000 1.00 0.00 C ATOM 251 O GLU A 382 9.214 -1.134 -2.806 1.00 0.00 O ATOM 252 CB GLU A 382 10.871 -2.965 -5.155 1.00 0.00 C ATOM 253 CG GLU A 382 11.909 -3.100 -6.257 1.00 0.00 C ATOM 254 CD GLU A 382 11.511 -2.373 -7.526 1.00 0.00 C ATOM 255 OE1 GLU A 382 11.655 -1.133 -7.569 1.00 0.00 O ATOM 256 OE2 GLU A 382 11.055 -3.043 -8.476 1.00 0.00 O ATOM 0 H GLU A 382 11.365 -1.889 -2.414 1.00 0.00 H new ATOM 0 HA GLU A 382 11.278 -0.854 -5.132 1.00 0.00 H new ATOM 0 HB2 GLU A 382 11.026 -3.757 -4.423 1.00 0.00 H new ATOM 0 HB3 GLU A 382 9.879 -3.114 -5.581 1.00 0.00 H new ATOM 0 HG2 GLU A 382 12.863 -2.709 -5.903 1.00 0.00 H new ATOM 0 HG3 GLU A 382 12.061 -4.156 -6.480 1.00 0.00 H new ATOM 263 N VAL A 383 8.627 -0.981 -4.973 1.00 0.00 N ATOM 264 CA VAL A 383 7.249 -0.598 -4.686 1.00 0.00 C ATOM 265 C VAL A 383 6.264 -1.581 -5.309 1.00 0.00 C ATOM 266 O VAL A 383 6.494 -2.096 -6.403 1.00 0.00 O ATOM 267 CB VAL A 383 6.941 0.819 -5.205 1.00 0.00 C ATOM 268 CG1 VAL A 383 7.026 0.862 -6.723 1.00 0.00 C ATOM 269 CG2 VAL A 383 5.571 1.275 -4.727 1.00 0.00 C ATOM 0 H VAL A 383 8.848 -1.047 -5.967 1.00 0.00 H new ATOM 0 HA VAL A 383 7.136 -0.613 -3.602 1.00 0.00 H new ATOM 0 HB VAL A 383 7.688 1.504 -4.804 1.00 0.00 H new ATOM 0 HG11 VAL A 383 6.805 1.871 -7.071 1.00 0.00 H new ATOM 0 HG12 VAL A 383 8.030 0.580 -7.039 1.00 0.00 H new ATOM 0 HG13 VAL A 383 6.303 0.165 -7.148 1.00 0.00 H new ATOM 0 HG21 VAL A 383 5.370 2.278 -5.103 1.00 0.00 H new ATOM 0 HG22 VAL A 383 4.809 0.589 -5.098 1.00 0.00 H new ATOM 0 HG23 VAL A 383 5.551 1.285 -3.637 1.00 0.00 H new ATOM 279 N ALA A 384 5.167 -1.837 -4.605 1.00 0.00 N ATOM 280 CA ALA A 384 4.145 -2.756 -5.089 1.00 0.00 C ATOM 281 C ALA A 384 2.746 -2.222 -4.804 1.00 0.00 C ATOM 282 O ALA A 384 2.453 -1.783 -3.692 1.00 0.00 O ATOM 283 CB ALA A 384 4.327 -4.128 -4.457 1.00 0.00 C ATOM 0 H ALA A 384 4.963 -1.420 -3.697 1.00 0.00 H new ATOM 0 HA ALA A 384 4.257 -2.848 -6.169 1.00 0.00 H new ATOM 0 HB1 ALA A 384 3.557 -4.804 -4.828 1.00 0.00 H new ATOM 0 HB2 ALA A 384 5.310 -4.521 -4.717 1.00 0.00 H new ATOM 0 HB3 ALA A 384 4.245 -4.043 -3.373 1.00 0.00 H new ATOM 289 N HIS A 385 1.885 -2.261 -5.816 1.00 0.00 N ATOM 290 CA HIS A 385 0.515 -1.780 -5.674 1.00 0.00 C ATOM 291 C HIS A 385 -0.450 -2.943 -5.460 1.00 0.00 C ATOM 292 O HIS A 385 -0.474 -3.896 -6.240 1.00 0.00 O ATOM 293 CB HIS A 385 0.102 -0.981 -6.910 1.00 0.00 C ATOM 294 CG HIS A 385 1.035 0.145 -7.234 1.00 0.00 C ATOM 295 ND1 HIS A 385 2.390 -0.030 -7.420 1.00 0.00 N ATOM 296 CD2 HIS A 385 0.800 1.467 -7.408 1.00 0.00 C ATOM 297 CE1 HIS A 385 2.949 1.136 -7.691 1.00 0.00 C ATOM 298 NE2 HIS A 385 2.006 2.061 -7.691 1.00 0.00 N ATOM 0 H HIS A 385 2.112 -2.621 -6.743 1.00 0.00 H new ATOM 0 HA HIS A 385 0.473 -1.130 -4.800 1.00 0.00 H new ATOM 0 HB2 HIS A 385 0.047 -1.654 -7.766 1.00 0.00 H new ATOM 0 HB3 HIS A 385 -0.899 -0.579 -6.755 1.00 0.00 H new ATOM 0 HD2 HIS A 385 -0.157 1.962 -7.337 1.00 0.00 H new ATOM 0 HE1 HIS A 385 3.999 1.304 -7.880 1.00 0.00 H new ATOM 0 HE2 HIS A 385 2.150 3.055 -7.872 1.00 0.00 H new ATOM 306 N THR A 386 -1.244 -2.859 -4.397 1.00 0.00 N ATOM 307 CA THR A 386 -2.209 -3.904 -4.079 1.00 0.00 C ATOM 308 C THR A 386 -3.633 -3.362 -4.100 1.00 0.00 C ATOM 309 O THR A 386 -3.852 -2.157 -3.975 1.00 0.00 O ATOM 310 CB THR A 386 -1.928 -4.526 -2.698 1.00 0.00 C ATOM 311 OG1 THR A 386 -0.547 -4.891 -2.596 1.00 0.00 O ATOM 312 CG2 THR A 386 -2.800 -5.752 -2.470 1.00 0.00 C ATOM 0 H THR A 386 -1.238 -2.078 -3.742 1.00 0.00 H new ATOM 0 HA THR A 386 -2.105 -4.674 -4.844 1.00 0.00 H new ATOM 0 HB THR A 386 -2.164 -3.784 -1.935 1.00 0.00 H new ATOM 0 HG1 THR A 386 -0.377 -5.284 -1.715 1.00 0.00 H new ATOM 0 HG21 THR A 386 -2.584 -6.174 -1.489 1.00 0.00 H new ATOM 0 HG22 THR A 386 -3.851 -5.465 -2.519 1.00 0.00 H new ATOM 0 HG23 THR A 386 -2.591 -6.496 -3.239 1.00 0.00 H new ATOM 320 N LYS A 387 -4.600 -4.259 -4.259 1.00 0.00 N ATOM 321 CA LYS A 387 -6.006 -3.872 -4.294 1.00 0.00 C ATOM 322 C LYS A 387 -6.816 -4.672 -3.279 1.00 0.00 C ATOM 323 O LYS A 387 -6.680 -5.892 -3.184 1.00 0.00 O ATOM 324 CB LYS A 387 -6.578 -4.081 -5.698 1.00 0.00 C ATOM 325 CG LYS A 387 -7.992 -3.552 -5.863 1.00 0.00 C ATOM 326 CD LYS A 387 -8.636 -4.070 -7.138 1.00 0.00 C ATOM 327 CE LYS A 387 -9.403 -5.361 -6.890 1.00 0.00 C ATOM 328 NZ LYS A 387 -8.560 -6.563 -7.140 1.00 0.00 N ATOM 0 H LYS A 387 -4.436 -5.260 -4.366 1.00 0.00 H new ATOM 0 HA LYS A 387 -6.073 -2.816 -4.034 1.00 0.00 H new ATOM 0 HB2 LYS A 387 -5.928 -3.590 -6.423 1.00 0.00 H new ATOM 0 HB3 LYS A 387 -6.568 -5.146 -5.931 1.00 0.00 H new ATOM 0 HG2 LYS A 387 -8.594 -3.847 -5.004 1.00 0.00 H new ATOM 0 HG3 LYS A 387 -7.974 -2.462 -5.880 1.00 0.00 H new ATOM 0 HD2 LYS A 387 -9.312 -3.315 -7.538 1.00 0.00 H new ATOM 0 HD3 LYS A 387 -7.867 -4.241 -7.892 1.00 0.00 H new ATOM 0 HE2 LYS A 387 -9.763 -5.378 -5.861 1.00 0.00 H new ATOM 0 HE3 LYS A 387 -10.281 -5.392 -7.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 387 -9.171 -7.375 -7.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 387 -7.923 -6.380 -7.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 387 -7.997 -6.775 -6.292 1.00 0.00 H new ATOM 342 N ASP A 388 -7.659 -3.977 -2.523 1.00 0.00 N ATOM 343 CA ASP A 388 -8.493 -4.623 -1.516 1.00 0.00 C ATOM 344 C ASP A 388 -9.406 -5.665 -2.154 1.00 0.00 C ATOM 345 O ASP A 388 -9.453 -5.799 -3.377 1.00 0.00 O ATOM 346 CB ASP A 388 -9.330 -3.581 -0.772 1.00 0.00 C ATOM 347 CG ASP A 388 -10.675 -3.342 -1.430 1.00 0.00 C ATOM 348 OD1 ASP A 388 -10.792 -3.588 -2.649 1.00 0.00 O ATOM 349 OD2 ASP A 388 -11.611 -2.910 -0.725 1.00 0.00 O ATOM 0 H ASP A 388 -7.783 -2.967 -2.588 1.00 0.00 H new ATOM 0 HA ASP A 388 -7.838 -5.127 -0.805 1.00 0.00 H new ATOM 0 HB2 ASP A 388 -9.485 -3.910 0.256 1.00 0.00 H new ATOM 0 HB3 ASP A 388 -8.779 -2.642 -0.726 1.00 0.00 H new ATOM 354 N ALA A 389 -10.129 -6.403 -1.318 1.00 0.00 N ATOM 355 CA ALA A 389 -11.041 -7.433 -1.800 1.00 0.00 C ATOM 356 C ALA A 389 -12.438 -7.246 -1.217 1.00 0.00 C ATOM 357 O ALA A 389 -13.390 -7.899 -1.644 1.00 0.00 O ATOM 358 CB ALA A 389 -10.504 -8.815 -1.458 1.00 0.00 C ATOM 0 H ALA A 389 -10.101 -6.307 -0.303 1.00 0.00 H new ATOM 0 HA ALA A 389 -11.113 -7.342 -2.884 1.00 0.00 H new ATOM 0 HB1 ALA A 389 -11.195 -9.575 -1.824 1.00 0.00 H new ATOM 0 HB2 ALA A 389 -9.530 -8.954 -1.928 1.00 0.00 H new ATOM 0 HB3 ALA A 389 -10.401 -8.908 -0.377 1.00 0.00 H new ATOM 364 N GLU A 390 -12.552 -6.352 -0.240 1.00 0.00 N ATOM 365 CA GLU A 390 -13.833 -6.082 0.401 1.00 0.00 C ATOM 366 C GLU A 390 -14.827 -5.494 -0.595 1.00 0.00 C ATOM 367 O GLU A 390 -15.797 -6.148 -0.982 1.00 0.00 O ATOM 368 CB GLU A 390 -13.646 -5.122 1.579 1.00 0.00 C ATOM 369 CG GLU A 390 -14.854 -5.045 2.498 1.00 0.00 C ATOM 370 CD GLU A 390 -14.496 -4.569 3.892 1.00 0.00 C ATOM 371 OE1 GLU A 390 -14.121 -5.415 4.730 1.00 0.00 O ATOM 372 OE2 GLU A 390 -14.592 -3.350 4.145 1.00 0.00 O ATOM 0 H GLU A 390 -11.773 -5.803 0.124 1.00 0.00 H new ATOM 0 HA GLU A 390 -14.232 -7.027 0.770 1.00 0.00 H new ATOM 0 HB2 GLU A 390 -12.778 -5.436 2.159 1.00 0.00 H new ATOM 0 HB3 GLU A 390 -13.429 -4.126 1.194 1.00 0.00 H new ATOM 0 HG2 GLU A 390 -15.592 -4.370 2.066 1.00 0.00 H new ATOM 0 HG3 GLU A 390 -15.320 -6.028 2.562 1.00 0.00 H new ATOM 379 N THR A 391 -14.581 -4.255 -1.008 1.00 0.00 N ATOM 380 CA THR A 391 -15.454 -3.577 -1.957 1.00 0.00 C ATOM 381 C THR A 391 -14.739 -3.327 -3.280 1.00 0.00 C ATOM 382 O THR A 391 -15.376 -3.123 -4.313 1.00 0.00 O ATOM 383 CB THR A 391 -15.959 -2.234 -1.397 1.00 0.00 C ATOM 384 OG1 THR A 391 -17.182 -1.863 -2.043 1.00 0.00 O ATOM 385 CG2 THR A 391 -14.921 -1.140 -1.598 1.00 0.00 C ATOM 0 H THR A 391 -13.783 -3.700 -0.699 1.00 0.00 H new ATOM 0 HA THR A 391 -16.307 -4.234 -2.127 1.00 0.00 H new ATOM 0 HB THR A 391 -16.135 -2.354 -0.328 1.00 0.00 H new ATOM 0 HG1 THR A 391 -17.497 -1.009 -1.680 1.00 0.00 H new ATOM 0 HG21 THR A 391 -15.300 -0.201 -1.195 1.00 0.00 H new ATOM 0 HG22 THR A 391 -14.001 -1.412 -1.081 1.00 0.00 H new ATOM 0 HG23 THR A 391 -14.718 -1.022 -2.662 1.00 0.00 H new ATOM 393 N GLY A 392 -13.410 -3.344 -3.242 1.00 0.00 N ATOM 394 CA GLY A 392 -12.630 -3.118 -4.444 1.00 0.00 C ATOM 395 C GLY A 392 -11.720 -1.911 -4.326 1.00 0.00 C ATOM 396 O GLY A 392 -11.091 -1.503 -5.303 1.00 0.00 O ATOM 0 H GLY A 392 -12.860 -3.510 -2.399 1.00 0.00 H new ATOM 0 HA2 GLY A 392 -12.029 -4.003 -4.655 1.00 0.00 H new ATOM 0 HA3 GLY A 392 -13.303 -2.980 -5.290 1.00 0.00 H new ATOM 400 N GLU A 393 -11.649 -1.339 -3.128 1.00 0.00 N ATOM 401 CA GLU A 393 -10.811 -0.171 -2.889 1.00 0.00 C ATOM 402 C GLU A 393 -9.404 -0.389 -3.439 1.00 0.00 C ATOM 403 O GLU A 393 -9.081 -1.468 -3.933 1.00 0.00 O ATOM 404 CB GLU A 393 -10.742 0.136 -1.391 1.00 0.00 C ATOM 405 CG GLU A 393 -12.059 0.623 -0.809 1.00 0.00 C ATOM 406 CD GLU A 393 -11.910 1.159 0.602 1.00 0.00 C ATOM 407 OE1 GLU A 393 -11.129 2.114 0.795 1.00 0.00 O ATOM 408 OE2 GLU A 393 -12.575 0.622 1.512 1.00 0.00 O ATOM 0 H GLU A 393 -12.162 -1.666 -2.309 1.00 0.00 H new ATOM 0 HA GLU A 393 -11.258 0.677 -3.407 1.00 0.00 H new ATOM 0 HB2 GLU A 393 -10.429 -0.762 -0.859 1.00 0.00 H new ATOM 0 HB3 GLU A 393 -9.976 0.892 -1.218 1.00 0.00 H new ATOM 0 HG2 GLU A 393 -12.468 1.404 -1.449 1.00 0.00 H new ATOM 0 HG3 GLU A 393 -12.777 -0.197 -0.808 1.00 0.00 H new ATOM 415 N GLU A 394 -8.573 0.645 -3.350 1.00 0.00 N ATOM 416 CA GLU A 394 -7.202 0.567 -3.840 1.00 0.00 C ATOM 417 C GLU A 394 -6.219 1.077 -2.790 1.00 0.00 C ATOM 418 O GLU A 394 -6.480 2.068 -2.108 1.00 0.00 O ATOM 419 CB GLU A 394 -7.052 1.376 -5.130 1.00 0.00 C ATOM 420 CG GLU A 394 -7.305 2.863 -4.949 1.00 0.00 C ATOM 421 CD GLU A 394 -7.191 3.637 -6.249 1.00 0.00 C ATOM 422 OE1 GLU A 394 -8.126 3.554 -7.073 1.00 0.00 O ATOM 423 OE2 GLU A 394 -6.167 4.326 -6.441 1.00 0.00 O ATOM 0 H GLU A 394 -8.825 1.546 -2.943 1.00 0.00 H new ATOM 0 HA GLU A 394 -6.976 -0.479 -4.047 1.00 0.00 H new ATOM 0 HB2 GLU A 394 -6.046 1.233 -5.524 1.00 0.00 H new ATOM 0 HB3 GLU A 394 -7.745 0.986 -5.876 1.00 0.00 H new ATOM 0 HG2 GLU A 394 -8.300 3.010 -4.529 1.00 0.00 H new ATOM 0 HG3 GLU A 394 -6.592 3.264 -4.228 1.00 0.00 H new ATOM 430 N VAL A 395 -5.088 0.390 -2.665 1.00 0.00 N ATOM 431 CA VAL A 395 -4.065 0.772 -1.699 1.00 0.00 C ATOM 432 C VAL A 395 -2.668 0.476 -2.232 1.00 0.00 C ATOM 433 O VAL A 395 -2.421 -0.586 -2.804 1.00 0.00 O ATOM 434 CB VAL A 395 -4.257 0.039 -0.358 1.00 0.00 C ATOM 435 CG1 VAL A 395 -3.222 0.501 0.657 1.00 0.00 C ATOM 436 CG2 VAL A 395 -5.667 0.254 0.170 1.00 0.00 C ATOM 0 H VAL A 395 -4.857 -0.434 -3.220 1.00 0.00 H new ATOM 0 HA VAL A 395 -4.169 1.845 -1.536 1.00 0.00 H new ATOM 0 HB VAL A 395 -4.115 -1.029 -0.525 1.00 0.00 H new ATOM 0 HG11 VAL A 395 -3.374 -0.028 1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 395 -2.222 0.289 0.279 1.00 0.00 H new ATOM 0 HG13 VAL A 395 -3.328 1.573 0.822 1.00 0.00 H new ATOM 0 HG21 VAL A 395 -5.785 -0.271 1.118 1.00 0.00 H new ATOM 0 HG22 VAL A 395 -5.840 1.319 0.321 1.00 0.00 H new ATOM 0 HG23 VAL A 395 -6.388 -0.132 -0.550 1.00 0.00 H new ATOM 446 N THR A 396 -1.754 1.423 -2.041 1.00 0.00 N ATOM 447 CA THR A 396 -0.381 1.265 -2.503 1.00 0.00 C ATOM 448 C THR A 396 0.528 0.795 -1.374 1.00 0.00 C ATOM 449 O THR A 396 0.346 1.175 -0.217 1.00 0.00 O ATOM 450 CB THR A 396 0.173 2.582 -3.078 1.00 0.00 C ATOM 451 OG1 THR A 396 -0.743 3.123 -4.036 1.00 0.00 O ATOM 452 CG2 THR A 396 1.527 2.359 -3.735 1.00 0.00 C ATOM 0 H THR A 396 -1.941 2.308 -1.569 1.00 0.00 H new ATOM 0 HA THR A 396 -0.397 0.512 -3.290 1.00 0.00 H new ATOM 0 HB THR A 396 0.297 3.287 -2.256 1.00 0.00 H new ATOM 0 HG1 THR A 396 -0.384 3.961 -4.395 1.00 0.00 H new ATOM 0 HG21 THR A 396 1.898 3.303 -4.134 1.00 0.00 H new ATOM 0 HG22 THR A 396 2.231 1.975 -2.997 1.00 0.00 H new ATOM 0 HG23 THR A 396 1.424 1.638 -4.546 1.00 0.00 H new ATOM 460 N HIS A 397 1.509 -0.035 -1.717 1.00 0.00 N ATOM 461 CA HIS A 397 2.448 -0.557 -0.730 1.00 0.00 C ATOM 462 C HIS A 397 3.883 -0.194 -1.102 1.00 0.00 C ATOM 463 O HIS A 397 4.197 0.016 -2.273 1.00 0.00 O ATOM 464 CB HIS A 397 2.308 -2.075 -0.615 1.00 0.00 C ATOM 465 CG HIS A 397 1.173 -2.507 0.263 1.00 0.00 C ATOM 466 ND1 HIS A 397 -0.025 -1.827 0.332 1.00 0.00 N ATOM 467 CD2 HIS A 397 1.058 -3.556 1.110 1.00 0.00 C ATOM 468 CE1 HIS A 397 -0.827 -2.440 1.185 1.00 0.00 C ATOM 469 NE2 HIS A 397 -0.193 -3.492 1.670 1.00 0.00 N ATOM 0 H HIS A 397 1.674 -0.360 -2.670 1.00 0.00 H new ATOM 0 HA HIS A 397 2.214 -0.104 0.233 1.00 0.00 H new ATOM 0 HB2 HIS A 397 2.167 -2.495 -1.611 1.00 0.00 H new ATOM 0 HB3 HIS A 397 3.237 -2.489 -0.224 1.00 0.00 H new ATOM 0 HD2 HIS A 397 1.811 -4.304 1.308 1.00 0.00 H new ATOM 0 HE1 HIS A 397 -1.830 -2.133 1.442 1.00 0.00 H new ATOM 0 HE2 HIS A 397 -0.572 -4.150 2.351 1.00 0.00 H new ATOM 477 N TYR A 398 4.748 -0.121 -0.096 1.00 0.00 N ATOM 478 CA TYR A 398 6.149 0.220 -0.317 1.00 0.00 C ATOM 479 C TYR A 398 7.064 -0.670 0.519 1.00 0.00 C ATOM 480 O TYR A 398 6.952 -0.718 1.745 1.00 0.00 O ATOM 481 CB TYR A 398 6.397 1.690 0.025 1.00 0.00 C ATOM 482 CG TYR A 398 5.976 2.645 -1.069 1.00 0.00 C ATOM 483 CD1 TYR A 398 4.655 3.060 -1.185 1.00 0.00 C ATOM 484 CD2 TYR A 398 6.898 3.132 -1.987 1.00 0.00 C ATOM 485 CE1 TYR A 398 4.265 3.932 -2.183 1.00 0.00 C ATOM 486 CE2 TYR A 398 6.518 4.005 -2.988 1.00 0.00 C ATOM 487 CZ TYR A 398 5.200 4.402 -3.081 1.00 0.00 C ATOM 488 OH TYR A 398 4.817 5.271 -4.077 1.00 0.00 O ATOM 0 H TYR A 398 4.504 -0.293 0.879 1.00 0.00 H new ATOM 0 HA TYR A 398 6.376 0.056 -1.370 1.00 0.00 H new ATOM 0 HB2 TYR A 398 5.858 1.938 0.939 1.00 0.00 H new ATOM 0 HB3 TYR A 398 7.458 1.832 0.232 1.00 0.00 H new ATOM 0 HD1 TYR A 398 3.920 2.695 -0.483 1.00 0.00 H new ATOM 0 HD2 TYR A 398 7.930 2.823 -1.917 1.00 0.00 H new ATOM 0 HE1 TYR A 398 3.234 4.244 -2.259 1.00 0.00 H new ATOM 0 HE2 TYR A 398 7.248 4.374 -3.693 1.00 0.00 H new ATOM 0 HH TYR A 398 4.648 6.156 -3.692 1.00 0.00 H new ATOM 498 N LEU A 399 7.970 -1.372 -0.153 1.00 0.00 N ATOM 499 CA LEU A 399 8.907 -2.260 0.526 1.00 0.00 C ATOM 500 C LEU A 399 9.929 -1.462 1.330 1.00 0.00 C ATOM 501 O LEU A 399 10.912 -0.963 0.782 1.00 0.00 O ATOM 502 CB LEU A 399 9.623 -3.151 -0.490 1.00 0.00 C ATOM 503 CG LEU A 399 10.428 -4.316 0.087 1.00 0.00 C ATOM 504 CD1 LEU A 399 9.588 -5.104 1.081 1.00 0.00 C ATOM 505 CD2 LEU A 399 10.929 -5.222 -1.027 1.00 0.00 C ATOM 0 H LEU A 399 8.076 -1.343 -1.167 1.00 0.00 H new ATOM 0 HA LEU A 399 8.341 -2.887 1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 399 8.879 -3.555 -1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 399 10.296 -2.528 -1.079 1.00 0.00 H new ATOM 0 HG LEU A 399 11.292 -3.910 0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 399 10.177 -5.929 1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 399 9.279 -4.449 1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 399 8.705 -5.499 0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 399 11.500 -6.045 -0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 399 10.080 -5.620 -1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 399 11.567 -4.651 -1.701 1.00 0.00 H new ATOM 517 N VAL A 400 9.691 -1.348 2.632 1.00 0.00 N ATOM 518 CA VAL A 400 10.592 -0.614 3.513 1.00 0.00 C ATOM 519 C VAL A 400 11.799 -1.463 3.895 1.00 0.00 C ATOM 520 O VAL A 400 11.655 -2.573 4.409 1.00 0.00 O ATOM 521 CB VAL A 400 9.873 -0.156 4.796 1.00 0.00 C ATOM 522 CG1 VAL A 400 10.843 0.557 5.726 1.00 0.00 C ATOM 523 CG2 VAL A 400 8.693 0.740 4.454 1.00 0.00 C ATOM 0 H VAL A 400 8.882 -1.755 3.101 1.00 0.00 H new ATOM 0 HA VAL A 400 10.929 0.264 2.961 1.00 0.00 H new ATOM 0 HB VAL A 400 9.493 -1.037 5.313 1.00 0.00 H new ATOM 0 HG11 VAL A 400 10.317 0.873 6.627 1.00 0.00 H new ATOM 0 HG12 VAL A 400 11.652 -0.121 5.997 1.00 0.00 H new ATOM 0 HG13 VAL A 400 11.256 1.430 5.221 1.00 0.00 H new ATOM 0 HG21 VAL A 400 8.197 1.054 5.372 1.00 0.00 H new ATOM 0 HG22 VAL A 400 9.047 1.618 3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 400 7.988 0.191 3.830 1.00 0.00 H new ATOM 533 N LYS A 401 12.991 -0.934 3.641 1.00 0.00 N ATOM 534 CA LYS A 401 14.226 -1.642 3.959 1.00 0.00 C ATOM 535 C LYS A 401 14.879 -1.061 5.209 1.00 0.00 C ATOM 536 O LYS A 401 15.602 -0.067 5.138 1.00 0.00 O ATOM 537 CB LYS A 401 15.200 -1.566 2.781 1.00 0.00 C ATOM 538 CG LYS A 401 16.241 -2.672 2.781 1.00 0.00 C ATOM 539 CD LYS A 401 17.522 -2.231 2.091 1.00 0.00 C ATOM 540 CE LYS A 401 18.494 -1.597 3.074 1.00 0.00 C ATOM 541 NZ LYS A 401 19.764 -1.190 2.413 1.00 0.00 N ATOM 0 H LYS A 401 13.128 -0.017 3.216 1.00 0.00 H new ATOM 0 HA LYS A 401 13.978 -2.686 4.151 1.00 0.00 H new ATOM 0 HB2 LYS A 401 14.635 -1.610 1.850 1.00 0.00 H new ATOM 0 HB3 LYS A 401 15.707 -0.601 2.801 1.00 0.00 H new ATOM 0 HG2 LYS A 401 16.462 -2.965 3.807 1.00 0.00 H new ATOM 0 HG3 LYS A 401 15.839 -3.551 2.277 1.00 0.00 H new ATOM 0 HD2 LYS A 401 17.994 -3.090 1.614 1.00 0.00 H new ATOM 0 HD3 LYS A 401 17.284 -1.518 1.301 1.00 0.00 H new ATOM 0 HE2 LYS A 401 18.028 -0.725 3.534 1.00 0.00 H new ATOM 0 HE3 LYS A 401 18.712 -2.303 3.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 20.550 -1.754 2.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 19.689 -1.350 1.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 19.942 -0.181 2.594 1.00 0.00 H new ATOM 555 N TRP A 402 14.621 -1.687 6.351 1.00 0.00 N ATOM 556 CA TRP A 402 15.185 -1.233 7.617 1.00 0.00 C ATOM 557 C TRP A 402 16.140 -2.273 8.193 1.00 0.00 C ATOM 558 O TRP A 402 15.717 -3.204 8.880 1.00 0.00 O ATOM 559 CB TRP A 402 14.069 -0.937 8.620 1.00 0.00 C ATOM 560 CG TRP A 402 12.942 -1.923 8.563 1.00 0.00 C ATOM 561 CD1 TRP A 402 13.009 -3.220 8.139 1.00 0.00 C ATOM 562 CD2 TRP A 402 11.581 -1.692 8.940 1.00 0.00 C ATOM 563 NE1 TRP A 402 11.771 -3.809 8.231 1.00 0.00 N ATOM 564 CE2 TRP A 402 10.878 -2.893 8.720 1.00 0.00 C ATOM 565 CE3 TRP A 402 10.887 -0.588 9.444 1.00 0.00 C ATOM 566 CZ2 TRP A 402 9.517 -3.017 8.985 1.00 0.00 C ATOM 567 CZ3 TRP A 402 9.536 -0.714 9.707 1.00 0.00 C ATOM 568 CH2 TRP A 402 8.863 -1.921 9.478 1.00 0.00 C ATOM 0 H TRP A 402 14.025 -2.511 6.427 1.00 0.00 H new ATOM 0 HA TRP A 402 15.746 -0.318 7.428 1.00 0.00 H new ATOM 0 HB2 TRP A 402 14.487 -0.932 9.627 1.00 0.00 H new ATOM 0 HB3 TRP A 402 13.677 0.063 8.432 1.00 0.00 H new ATOM 0 HD1 TRP A 402 13.903 -3.710 7.784 1.00 0.00 H new ATOM 0 HE1 TRP A 402 11.553 -4.772 7.976 1.00 0.00 H new ATOM 0 HE3 TRP A 402 11.397 0.347 9.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 402 8.996 -3.946 8.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 402 8.990 0.133 10.096 1.00 0.00 H new ATOM 0 HH2 TRP A 402 7.807 -1.988 9.695 1.00 0.00 H new ATOM 579 N CYS A 403 17.427 -2.110 7.909 1.00 0.00 N ATOM 580 CA CYS A 403 18.442 -3.036 8.398 1.00 0.00 C ATOM 581 C CYS A 403 18.094 -3.533 9.798 1.00 0.00 C ATOM 582 O CYS A 403 18.081 -4.737 10.055 1.00 0.00 O ATOM 583 CB CYS A 403 19.814 -2.363 8.409 1.00 0.00 C ATOM 584 SG CYS A 403 21.140 -3.398 9.073 1.00 0.00 S ATOM 0 H CYS A 403 17.793 -1.345 7.342 1.00 0.00 H new ATOM 0 HA CYS A 403 18.472 -3.893 7.725 1.00 0.00 H new ATOM 0 HB2 CYS A 403 20.071 -2.071 7.391 1.00 0.00 H new ATOM 0 HB3 CYS A 403 19.753 -1.448 8.998 1.00 0.00 H new ATOM 0 HG CYS A 403 22.262 -2.741 9.039 1.00 0.00 H new ATOM 590 N SER A 404 17.815 -2.597 10.700 1.00 0.00 N ATOM 591 CA SER A 404 17.473 -2.940 12.075 1.00 0.00 C ATOM 592 C SER A 404 16.712 -4.261 12.133 1.00 0.00 C ATOM 593 O SER A 404 16.993 -5.117 12.973 1.00 0.00 O ATOM 594 CB SER A 404 16.635 -1.827 12.707 1.00 0.00 C ATOM 595 OG SER A 404 16.769 -1.824 14.117 1.00 0.00 O ATOM 0 H SER A 404 17.819 -1.596 10.503 1.00 0.00 H new ATOM 0 HA SER A 404 18.400 -3.051 12.637 1.00 0.00 H new ATOM 0 HB2 SER A 404 16.946 -0.862 12.307 1.00 0.00 H new ATOM 0 HB3 SER A 404 15.587 -1.960 12.439 1.00 0.00 H new ATOM 0 HG SER A 404 16.225 -1.102 14.496 1.00 0.00 H new ATOM 601 N LEU A 405 15.746 -4.419 11.235 1.00 0.00 N ATOM 602 CA LEU A 405 14.942 -5.635 11.183 1.00 0.00 C ATOM 603 C LEU A 405 15.536 -6.638 10.198 1.00 0.00 C ATOM 604 O LEU A 405 16.287 -6.283 9.290 1.00 0.00 O ATOM 605 CB LEU A 405 13.503 -5.302 10.784 1.00 0.00 C ATOM 606 CG LEU A 405 12.603 -4.772 11.900 1.00 0.00 C ATOM 607 CD1 LEU A 405 11.371 -4.098 11.317 1.00 0.00 C ATOM 608 CD2 LEU A 405 12.202 -5.897 12.842 1.00 0.00 C ATOM 0 H LEU A 405 15.500 -3.721 10.533 1.00 0.00 H new ATOM 0 HA LEU A 405 14.942 -6.084 12.176 1.00 0.00 H new ATOM 0 HB2 LEU A 405 13.531 -4.562 9.985 1.00 0.00 H new ATOM 0 HB3 LEU A 405 13.045 -6.200 10.371 1.00 0.00 H new ATOM 0 HG LEU A 405 13.162 -4.030 12.470 1.00 0.00 H new ATOM 0 HD11 LEU A 405 10.742 -3.727 12.126 1.00 0.00 H new ATOM 0 HD12 LEU A 405 11.677 -3.265 10.684 1.00 0.00 H new ATOM 0 HD13 LEU A 405 10.809 -4.818 10.722 1.00 0.00 H new ATOM 0 HD21 LEU A 405 11.562 -5.501 13.630 1.00 0.00 H new ATOM 0 HD22 LEU A 405 11.661 -6.662 12.285 1.00 0.00 H new ATOM 0 HD23 LEU A 405 13.096 -6.335 13.287 1.00 0.00 H new ATOM 620 N PRO A 406 15.190 -7.921 10.380 1.00 0.00 N ATOM 621 CA PRO A 406 15.676 -9.001 9.516 1.00 0.00 C ATOM 622 C PRO A 406 15.077 -8.936 8.115 1.00 0.00 C ATOM 623 O PRO A 406 13.857 -8.956 7.949 1.00 0.00 O ATOM 624 CB PRO A 406 15.211 -10.269 10.238 1.00 0.00 C ATOM 625 CG PRO A 406 14.029 -9.839 11.035 1.00 0.00 C ATOM 626 CD PRO A 406 14.299 -8.416 11.442 1.00 0.00 C ATOM 0 HA PRO A 406 16.755 -8.950 9.367 1.00 0.00 H new ATOM 0 HB2 PRO A 406 14.946 -11.054 9.529 1.00 0.00 H new ATOM 0 HB3 PRO A 406 15.996 -10.670 10.879 1.00 0.00 H new ATOM 0 HG2 PRO A 406 13.115 -9.910 10.446 1.00 0.00 H new ATOM 0 HG3 PRO A 406 13.895 -10.476 11.909 1.00 0.00 H new ATOM 0 HD2 PRO A 406 13.380 -7.833 11.499 1.00 0.00 H new ATOM 0 HD3 PRO A 406 14.773 -8.361 12.422 1.00 0.00 H new ATOM 634 N TYR A 407 15.942 -8.859 7.110 1.00 0.00 N ATOM 635 CA TYR A 407 15.499 -8.789 5.723 1.00 0.00 C ATOM 636 C TYR A 407 14.297 -9.700 5.489 1.00 0.00 C ATOM 637 O TYR A 407 13.235 -9.247 5.064 1.00 0.00 O ATOM 638 CB TYR A 407 16.639 -9.178 4.781 1.00 0.00 C ATOM 639 CG TYR A 407 17.515 -8.014 4.378 1.00 0.00 C ATOM 640 CD1 TYR A 407 17.065 -7.059 3.475 1.00 0.00 C ATOM 641 CD2 TYR A 407 18.794 -7.868 4.902 1.00 0.00 C ATOM 642 CE1 TYR A 407 17.862 -5.994 3.104 1.00 0.00 C ATOM 643 CE2 TYR A 407 19.598 -6.805 4.538 1.00 0.00 C ATOM 644 CZ TYR A 407 19.128 -5.871 3.638 1.00 0.00 C ATOM 645 OH TYR A 407 19.925 -4.811 3.272 1.00 0.00 O ATOM 0 H TYR A 407 16.955 -8.843 7.230 1.00 0.00 H new ATOM 0 HA TYR A 407 15.200 -7.762 5.515 1.00 0.00 H new ATOM 0 HB2 TYR A 407 17.256 -9.936 5.264 1.00 0.00 H new ATOM 0 HB3 TYR A 407 16.219 -9.633 3.884 1.00 0.00 H new ATOM 0 HD1 TYR A 407 16.074 -7.151 3.056 1.00 0.00 H new ATOM 0 HD2 TYR A 407 19.166 -8.598 5.606 1.00 0.00 H new ATOM 0 HE1 TYR A 407 17.496 -5.261 2.400 1.00 0.00 H new ATOM 0 HE2 TYR A 407 20.589 -6.706 4.956 1.00 0.00 H new ATOM 0 HH TYR A 407 20.784 -4.871 3.739 1.00 0.00 H new ATOM 655 N GLU A 408 14.475 -10.988 5.770 1.00 0.00 N ATOM 656 CA GLU A 408 13.407 -11.963 5.590 1.00 0.00 C ATOM 657 C GLU A 408 12.047 -11.345 5.905 1.00 0.00 C ATOM 658 O GLU A 408 11.059 -11.614 5.223 1.00 0.00 O ATOM 659 CB GLU A 408 13.644 -13.183 6.482 1.00 0.00 C ATOM 660 CG GLU A 408 12.879 -14.419 6.039 1.00 0.00 C ATOM 661 CD GLU A 408 12.890 -15.518 7.084 1.00 0.00 C ATOM 662 OE1 GLU A 408 12.154 -15.390 8.086 1.00 0.00 O ATOM 663 OE2 GLU A 408 13.633 -16.504 6.902 1.00 0.00 O ATOM 0 H GLU A 408 15.348 -11.379 6.123 1.00 0.00 H new ATOM 0 HA GLU A 408 13.410 -12.279 4.547 1.00 0.00 H new ATOM 0 HB2 GLU A 408 14.710 -13.411 6.495 1.00 0.00 H new ATOM 0 HB3 GLU A 408 13.358 -12.936 7.504 1.00 0.00 H new ATOM 0 HG2 GLU A 408 11.848 -14.144 5.818 1.00 0.00 H new ATOM 0 HG3 GLU A 408 13.313 -14.798 5.114 1.00 0.00 H new ATOM 670 N GLU A 409 12.007 -10.516 6.943 1.00 0.00 N ATOM 671 CA GLU A 409 10.769 -9.862 7.350 1.00 0.00 C ATOM 672 C GLU A 409 10.559 -8.565 6.572 1.00 0.00 C ATOM 673 O GLU A 409 10.108 -7.563 7.126 1.00 0.00 O ATOM 674 CB GLU A 409 10.789 -9.570 8.852 1.00 0.00 C ATOM 675 CG GLU A 409 10.441 -10.775 9.710 1.00 0.00 C ATOM 676 CD GLU A 409 8.947 -11.020 9.792 1.00 0.00 C ATOM 677 OE1 GLU A 409 8.385 -11.593 8.835 1.00 0.00 O ATOM 678 OE2 GLU A 409 8.339 -10.638 10.814 1.00 0.00 O ATOM 0 H GLU A 409 12.817 -10.281 7.517 1.00 0.00 H new ATOM 0 HA GLU A 409 9.942 -10.537 7.130 1.00 0.00 H new ATOM 0 HB2 GLU A 409 11.779 -9.210 9.131 1.00 0.00 H new ATOM 0 HB3 GLU A 409 10.085 -8.766 9.067 1.00 0.00 H new ATOM 0 HG2 GLU A 409 10.929 -11.660 9.302 1.00 0.00 H new ATOM 0 HG3 GLU A 409 10.837 -10.628 10.715 1.00 0.00 H new ATOM 685 N SER A 410 10.889 -8.594 5.285 1.00 0.00 N ATOM 686 CA SER A 410 10.741 -7.421 4.432 1.00 0.00 C ATOM 687 C SER A 410 9.267 -7.102 4.198 1.00 0.00 C ATOM 688 O SER A 410 8.639 -7.646 3.289 1.00 0.00 O ATOM 689 CB SER A 410 11.445 -7.647 3.092 1.00 0.00 C ATOM 690 OG SER A 410 11.743 -6.414 2.459 1.00 0.00 O ATOM 0 H SER A 410 11.261 -9.417 4.810 1.00 0.00 H new ATOM 0 HA SER A 410 11.202 -6.573 4.938 1.00 0.00 H new ATOM 0 HB2 SER A 410 12.365 -8.210 3.251 1.00 0.00 H new ATOM 0 HB3 SER A 410 10.811 -8.250 2.442 1.00 0.00 H new ATOM 0 HG SER A 410 11.430 -5.674 3.020 1.00 0.00 H new ATOM 696 N THR A 411 8.721 -6.217 5.025 1.00 0.00 N ATOM 697 CA THR A 411 7.322 -5.825 4.911 1.00 0.00 C ATOM 698 C THR A 411 7.154 -4.661 3.942 1.00 0.00 C ATOM 699 O THR A 411 8.134 -4.049 3.516 1.00 0.00 O ATOM 700 CB THR A 411 6.736 -5.429 6.279 1.00 0.00 C ATOM 701 OG1 THR A 411 5.317 -5.261 6.174 1.00 0.00 O ATOM 702 CG2 THR A 411 7.368 -4.142 6.786 1.00 0.00 C ATOM 0 H THR A 411 9.227 -5.757 5.782 1.00 0.00 H new ATOM 0 HA THR A 411 6.781 -6.691 4.530 1.00 0.00 H new ATOM 0 HB THR A 411 6.955 -6.227 6.989 1.00 0.00 H new ATOM 0 HG1 THR A 411 4.952 -5.011 7.048 1.00 0.00 H new ATOM 0 HG21 THR A 411 6.938 -3.882 7.754 1.00 0.00 H new ATOM 0 HG22 THR A 411 8.444 -4.282 6.892 1.00 0.00 H new ATOM 0 HG23 THR A 411 7.176 -3.338 6.076 1.00 0.00 H new ATOM 710 N TRP A 412 5.908 -4.358 3.598 1.00 0.00 N ATOM 711 CA TRP A 412 5.613 -3.265 2.679 1.00 0.00 C ATOM 712 C TRP A 412 4.661 -2.259 3.318 1.00 0.00 C ATOM 713 O TRP A 412 3.443 -2.375 3.187 1.00 0.00 O ATOM 714 CB TRP A 412 5.006 -3.809 1.385 1.00 0.00 C ATOM 715 CG TRP A 412 5.701 -5.034 0.872 1.00 0.00 C ATOM 716 CD1 TRP A 412 5.833 -6.231 1.515 1.00 0.00 C ATOM 717 CD2 TRP A 412 6.361 -5.179 -0.390 1.00 0.00 C ATOM 718 NE1 TRP A 412 6.535 -7.112 0.729 1.00 0.00 N ATOM 719 CE2 TRP A 412 6.870 -6.492 -0.445 1.00 0.00 C ATOM 720 CE3 TRP A 412 6.571 -4.330 -1.480 1.00 0.00 C ATOM 721 CZ2 TRP A 412 7.574 -6.971 -1.546 1.00 0.00 C ATOM 722 CZ3 TRP A 412 7.270 -4.807 -2.572 1.00 0.00 C ATOM 723 CH2 TRP A 412 7.764 -6.118 -2.599 1.00 0.00 C ATOM 0 H TRP A 412 5.085 -4.854 3.942 1.00 0.00 H new ATOM 0 HA TRP A 412 6.548 -2.756 2.447 1.00 0.00 H new ATOM 0 HB2 TRP A 412 3.955 -4.041 1.555 1.00 0.00 H new ATOM 0 HB3 TRP A 412 5.042 -3.033 0.621 1.00 0.00 H new ATOM 0 HD1 TRP A 412 5.443 -6.453 2.497 1.00 0.00 H new ATOM 0 HE1 TRP A 412 6.769 -8.073 0.979 1.00 0.00 H new ATOM 0 HE3 TRP A 412 6.193 -3.318 -1.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 412 7.957 -7.981 -1.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 412 7.439 -4.159 -3.419 1.00 0.00 H new ATOM 0 HH2 TRP A 412 8.305 -6.462 -3.468 1.00 0.00 H new ATOM 734 N GLU A 413 5.225 -1.272 4.007 1.00 0.00 N ATOM 735 CA GLU A 413 4.424 -0.247 4.666 1.00 0.00 C ATOM 736 C GLU A 413 3.736 0.648 3.640 1.00 0.00 C ATOM 737 O GLU A 413 4.333 1.032 2.634 1.00 0.00 O ATOM 738 CB GLU A 413 5.300 0.599 5.592 1.00 0.00 C ATOM 739 CG GLU A 413 6.018 -0.210 6.659 1.00 0.00 C ATOM 740 CD GLU A 413 5.189 -0.379 7.918 1.00 0.00 C ATOM 741 OE1 GLU A 413 4.399 0.533 8.236 1.00 0.00 O ATOM 742 OE2 GLU A 413 5.331 -1.426 8.584 1.00 0.00 O ATOM 0 H GLU A 413 6.232 -1.161 4.123 1.00 0.00 H new ATOM 0 HA GLU A 413 3.658 -0.746 5.259 1.00 0.00 H new ATOM 0 HB2 GLU A 413 6.039 1.131 4.993 1.00 0.00 H new ATOM 0 HB3 GLU A 413 4.680 1.353 6.076 1.00 0.00 H new ATOM 0 HG2 GLU A 413 6.268 -1.192 6.258 1.00 0.00 H new ATOM 0 HG3 GLU A 413 6.958 0.280 6.910 1.00 0.00 H new ATOM 749 N LEU A 414 2.475 0.977 3.902 1.00 0.00 N ATOM 750 CA LEU A 414 1.704 1.827 3.002 1.00 0.00 C ATOM 751 C LEU A 414 2.465 3.109 2.677 1.00 0.00 C ATOM 752 O LEU A 414 3.310 3.553 3.453 1.00 0.00 O ATOM 753 CB LEU A 414 0.350 2.169 3.627 1.00 0.00 C ATOM 754 CG LEU A 414 -0.459 0.987 4.162 1.00 0.00 C ATOM 755 CD1 LEU A 414 -1.636 1.478 4.992 1.00 0.00 C ATOM 756 CD2 LEU A 414 -0.942 0.109 3.017 1.00 0.00 C ATOM 0 H LEU A 414 1.966 0.668 4.730 1.00 0.00 H new ATOM 0 HA LEU A 414 1.541 1.278 2.074 1.00 0.00 H new ATOM 0 HB2 LEU A 414 0.516 2.870 4.445 1.00 0.00 H new ATOM 0 HB3 LEU A 414 -0.252 2.687 2.881 1.00 0.00 H new ATOM 0 HG LEU A 414 0.188 0.389 4.804 1.00 0.00 H new ATOM 0 HD11 LEU A 414 -2.200 0.623 5.364 1.00 0.00 H new ATOM 0 HD12 LEU A 414 -1.268 2.065 5.834 1.00 0.00 H new ATOM 0 HD13 LEU A 414 -2.284 2.099 4.373 1.00 0.00 H new ATOM 0 HD21 LEU A 414 -1.516 -0.727 3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 414 -1.573 0.696 2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 414 -0.084 -0.272 2.463 1.00 0.00 H new ATOM 768 N GLU A 415 2.157 3.699 1.526 1.00 0.00 N ATOM 769 CA GLU A 415 2.811 4.930 1.101 1.00 0.00 C ATOM 770 C GLU A 415 2.819 5.960 2.227 1.00 0.00 C ATOM 771 O GLU A 415 3.799 6.678 2.418 1.00 0.00 O ATOM 772 CB GLU A 415 2.108 5.509 -0.129 1.00 0.00 C ATOM 773 CG GLU A 415 2.913 6.584 -0.841 1.00 0.00 C ATOM 774 CD GLU A 415 2.577 6.683 -2.316 1.00 0.00 C ATOM 775 OE1 GLU A 415 1.446 6.313 -2.694 1.00 0.00 O ATOM 776 OE2 GLU A 415 3.447 7.130 -3.093 1.00 0.00 O ATOM 0 H GLU A 415 1.459 3.344 0.872 1.00 0.00 H new ATOM 0 HA GLU A 415 3.843 4.692 0.843 1.00 0.00 H new ATOM 0 HB2 GLU A 415 1.896 4.701 -0.830 1.00 0.00 H new ATOM 0 HB3 GLU A 415 1.148 5.927 0.175 1.00 0.00 H new ATOM 0 HG2 GLU A 415 2.728 7.547 -0.365 1.00 0.00 H new ATOM 0 HG3 GLU A 415 3.976 6.371 -0.728 1.00 0.00 H new ATOM 783 N GLU A 416 1.717 6.025 2.969 1.00 0.00 N ATOM 784 CA GLU A 416 1.597 6.967 4.075 1.00 0.00 C ATOM 785 C GLU A 416 2.775 6.831 5.036 1.00 0.00 C ATOM 786 O GLU A 416 3.494 7.797 5.293 1.00 0.00 O ATOM 787 CB GLU A 416 0.283 6.741 4.826 1.00 0.00 C ATOM 788 CG GLU A 416 -0.952 6.906 3.956 1.00 0.00 C ATOM 789 CD GLU A 416 -0.951 8.211 3.184 1.00 0.00 C ATOM 790 OE1 GLU A 416 -0.533 9.239 3.757 1.00 0.00 O ATOM 791 OE2 GLU A 416 -1.369 8.205 2.007 1.00 0.00 O ATOM 0 H GLU A 416 0.896 5.437 2.824 1.00 0.00 H new ATOM 0 HA GLU A 416 1.602 7.976 3.662 1.00 0.00 H new ATOM 0 HB2 GLU A 416 0.286 5.738 5.252 1.00 0.00 H new ATOM 0 HB3 GLU A 416 0.226 7.441 5.660 1.00 0.00 H new ATOM 0 HG2 GLU A 416 -1.012 6.073 3.255 1.00 0.00 H new ATOM 0 HG3 GLU A 416 -1.842 6.860 4.583 1.00 0.00 H new ATOM 798 N ASP A 417 2.964 5.627 5.564 1.00 0.00 N ATOM 799 CA ASP A 417 4.054 5.364 6.496 1.00 0.00 C ATOM 800 C ASP A 417 5.391 5.798 5.905 1.00 0.00 C ATOM 801 O ASP A 417 6.195 6.450 6.572 1.00 0.00 O ATOM 802 CB ASP A 417 4.098 3.878 6.855 1.00 0.00 C ATOM 803 CG ASP A 417 2.715 3.281 7.023 1.00 0.00 C ATOM 804 OD1 ASP A 417 1.870 3.920 7.683 1.00 0.00 O ATOM 805 OD2 ASP A 417 2.478 2.174 6.496 1.00 0.00 O ATOM 0 H ASP A 417 2.377 4.818 5.363 1.00 0.00 H new ATOM 0 HA ASP A 417 3.873 5.943 7.402 1.00 0.00 H new ATOM 0 HB2 ASP A 417 4.633 3.335 6.076 1.00 0.00 H new ATOM 0 HB3 ASP A 417 4.662 3.747 7.779 1.00 0.00 H new ATOM 810 N VAL A 418 5.625 5.430 4.649 1.00 0.00 N ATOM 811 CA VAL A 418 6.865 5.780 3.968 1.00 0.00 C ATOM 812 C VAL A 418 6.921 7.273 3.663 1.00 0.00 C ATOM 813 O VAL A 418 6.094 7.796 2.916 1.00 0.00 O ATOM 814 CB VAL A 418 7.026 4.993 2.654 1.00 0.00 C ATOM 815 CG1 VAL A 418 8.280 5.436 1.915 1.00 0.00 C ATOM 816 CG2 VAL A 418 7.060 3.497 2.931 1.00 0.00 C ATOM 0 H VAL A 418 4.971 4.889 4.083 1.00 0.00 H new ATOM 0 HA VAL A 418 7.681 5.518 4.642 1.00 0.00 H new ATOM 0 HB VAL A 418 6.166 5.203 2.017 1.00 0.00 H new ATOM 0 HG11 VAL A 418 8.376 4.869 0.989 1.00 0.00 H new ATOM 0 HG12 VAL A 418 8.210 6.499 1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 418 9.154 5.258 2.542 1.00 0.00 H new ATOM 0 HG21 VAL A 418 7.174 2.956 1.992 1.00 0.00 H new ATOM 0 HG22 VAL A 418 7.900 3.267 3.587 1.00 0.00 H new ATOM 0 HG23 VAL A 418 6.130 3.195 3.413 1.00 0.00 H new ATOM 826 N ASP A 419 7.902 7.954 4.245 1.00 0.00 N ATOM 827 CA ASP A 419 8.068 9.387 4.034 1.00 0.00 C ATOM 828 C ASP A 419 8.169 9.710 2.547 1.00 0.00 C ATOM 829 O ASP A 419 8.574 8.880 1.733 1.00 0.00 O ATOM 830 CB ASP A 419 9.315 9.890 4.763 1.00 0.00 C ATOM 831 CG ASP A 419 9.145 9.889 6.270 1.00 0.00 C ATOM 832 OD1 ASP A 419 8.092 10.359 6.749 1.00 0.00 O ATOM 833 OD2 ASP A 419 10.065 9.416 6.970 1.00 0.00 O ATOM 0 H ASP A 419 8.594 7.536 4.867 1.00 0.00 H new ATOM 0 HA ASP A 419 7.191 9.892 4.438 1.00 0.00 H new ATOM 0 HB2 ASP A 419 10.166 9.263 4.496 1.00 0.00 H new ATOM 0 HB3 ASP A 419 9.546 10.901 4.427 1.00 0.00 H new ATOM 838 N PRO A 420 7.789 10.943 2.182 1.00 0.00 N ATOM 839 CA PRO A 420 7.827 11.404 0.791 1.00 0.00 C ATOM 840 C PRO A 420 9.252 11.584 0.278 1.00 0.00 C ATOM 841 O PRO A 420 9.582 11.158 -0.828 1.00 0.00 O ATOM 842 CB PRO A 420 7.103 12.752 0.843 1.00 0.00 C ATOM 843 CG PRO A 420 7.280 13.222 2.246 1.00 0.00 C ATOM 844 CD PRO A 420 7.295 11.984 3.099 1.00 0.00 C ATOM 0 HA PRO A 420 7.369 10.685 0.111 1.00 0.00 H new ATOM 0 HB2 PRO A 420 7.530 13.459 0.132 1.00 0.00 H new ATOM 0 HB3 PRO A 420 6.048 12.645 0.591 1.00 0.00 H new ATOM 0 HG2 PRO A 420 8.208 13.783 2.356 1.00 0.00 H new ATOM 0 HG3 PRO A 420 6.469 13.888 2.540 1.00 0.00 H new ATOM 0 HD2 PRO A 420 7.948 12.100 3.964 1.00 0.00 H new ATOM 0 HD3 PRO A 420 6.302 11.746 3.479 1.00 0.00 H new ATOM 852 N ALA A 421 10.092 12.217 1.090 1.00 0.00 N ATOM 853 CA ALA A 421 11.482 12.451 0.719 1.00 0.00 C ATOM 854 C ALA A 421 12.161 11.156 0.288 1.00 0.00 C ATOM 855 O ALA A 421 12.740 11.076 -0.796 1.00 0.00 O ATOM 856 CB ALA A 421 12.238 13.085 1.877 1.00 0.00 C ATOM 0 H ALA A 421 9.834 12.577 2.009 1.00 0.00 H new ATOM 0 HA ALA A 421 11.495 13.137 -0.128 1.00 0.00 H new ATOM 0 HB1 ALA A 421 13.275 13.254 1.586 1.00 0.00 H new ATOM 0 HB2 ALA A 421 11.774 14.037 2.137 1.00 0.00 H new ATOM 0 HB3 ALA A 421 12.207 12.419 2.739 1.00 0.00 H new ATOM 862 N LYS A 422 12.087 10.142 1.144 1.00 0.00 N ATOM 863 CA LYS A 422 12.694 8.848 0.852 1.00 0.00 C ATOM 864 C LYS A 422 12.212 8.312 -0.492 1.00 0.00 C ATOM 865 O LYS A 422 13.010 7.856 -1.312 1.00 0.00 O ATOM 866 CB LYS A 422 12.364 7.846 1.960 1.00 0.00 C ATOM 867 CG LYS A 422 13.230 8.001 3.198 1.00 0.00 C ATOM 868 CD LYS A 422 14.648 7.514 2.952 1.00 0.00 C ATOM 869 CE LYS A 422 15.574 7.892 4.098 1.00 0.00 C ATOM 870 NZ LYS A 422 15.763 9.366 4.195 1.00 0.00 N ATOM 0 H LYS A 422 11.613 10.191 2.046 1.00 0.00 H new ATOM 0 HA LYS A 422 13.774 8.984 0.803 1.00 0.00 H new ATOM 0 HB2 LYS A 422 11.317 7.961 2.242 1.00 0.00 H new ATOM 0 HB3 LYS A 422 12.480 6.835 1.570 1.00 0.00 H new ATOM 0 HG2 LYS A 422 13.251 9.048 3.499 1.00 0.00 H new ATOM 0 HG3 LYS A 422 12.790 7.441 4.023 1.00 0.00 H new ATOM 0 HD2 LYS A 422 14.645 6.431 2.827 1.00 0.00 H new ATOM 0 HD3 LYS A 422 15.024 7.941 2.023 1.00 0.00 H new ATOM 0 HE2 LYS A 422 15.164 7.516 5.035 1.00 0.00 H new ATOM 0 HE3 LYS A 422 16.542 7.410 3.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 422 16.619 9.571 4.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 422 15.865 9.766 3.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 422 14.938 9.792 4.663 1.00 0.00 H new ATOM 884 N VAL A 423 10.903 8.371 -0.713 1.00 0.00 N ATOM 885 CA VAL A 423 10.316 7.894 -1.960 1.00 0.00 C ATOM 886 C VAL A 423 10.865 8.664 -3.156 1.00 0.00 C ATOM 887 O VAL A 423 11.196 8.078 -4.187 1.00 0.00 O ATOM 888 CB VAL A 423 8.781 8.021 -1.942 1.00 0.00 C ATOM 889 CG1 VAL A 423 8.191 7.562 -3.267 1.00 0.00 C ATOM 890 CG2 VAL A 423 8.194 7.227 -0.785 1.00 0.00 C ATOM 0 H VAL A 423 10.229 8.744 -0.045 1.00 0.00 H new ATOM 0 HA VAL A 423 10.585 6.842 -2.055 1.00 0.00 H new ATOM 0 HB VAL A 423 8.523 9.071 -1.801 1.00 0.00 H new ATOM 0 HG11 VAL A 423 7.106 7.659 -3.235 1.00 0.00 H new ATOM 0 HG12 VAL A 423 8.587 8.178 -4.074 1.00 0.00 H new ATOM 0 HG13 VAL A 423 8.457 6.520 -3.442 1.00 0.00 H new ATOM 0 HG21 VAL A 423 7.109 7.328 -0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 423 8.461 6.176 -0.893 1.00 0.00 H new ATOM 0 HG23 VAL A 423 8.591 7.607 0.156 1.00 0.00 H new ATOM 900 N LYS A 424 10.959 9.981 -3.012 1.00 0.00 N ATOM 901 CA LYS A 424 11.469 10.834 -4.079 1.00 0.00 C ATOM 902 C LYS A 424 12.788 10.293 -4.624 1.00 0.00 C ATOM 903 O LYS A 424 12.979 10.204 -5.836 1.00 0.00 O ATOM 904 CB LYS A 424 11.664 12.263 -3.569 1.00 0.00 C ATOM 905 CG LYS A 424 10.394 13.097 -3.596 1.00 0.00 C ATOM 906 CD LYS A 424 10.232 13.823 -4.920 1.00 0.00 C ATOM 907 CE LYS A 424 10.979 15.148 -4.925 1.00 0.00 C ATOM 908 NZ LYS A 424 10.526 16.036 -6.031 1.00 0.00 N ATOM 0 H LYS A 424 10.688 10.482 -2.166 1.00 0.00 H new ATOM 0 HA LYS A 424 10.737 10.840 -4.887 1.00 0.00 H new ATOM 0 HB2 LYS A 424 12.043 12.227 -2.548 1.00 0.00 H new ATOM 0 HB3 LYS A 424 12.425 12.755 -4.174 1.00 0.00 H new ATOM 0 HG2 LYS A 424 9.531 12.453 -3.425 1.00 0.00 H new ATOM 0 HG3 LYS A 424 10.417 13.822 -2.783 1.00 0.00 H new ATOM 0 HD2 LYS A 424 10.601 13.193 -5.729 1.00 0.00 H new ATOM 0 HD3 LYS A 424 9.174 14.000 -5.112 1.00 0.00 H new ATOM 0 HE2 LYS A 424 10.830 15.652 -3.970 1.00 0.00 H new ATOM 0 HE3 LYS A 424 12.048 14.962 -5.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 11.059 16.929 -6.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 10.691 15.566 -6.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 9.511 16.235 -5.923 1.00 0.00 H new ATOM 922 N GLU A 425 13.693 9.932 -3.719 1.00 0.00 N ATOM 923 CA GLU A 425 14.992 9.399 -4.111 1.00 0.00 C ATOM 924 C GLU A 425 14.839 8.057 -4.821 1.00 0.00 C ATOM 925 O GLU A 425 15.237 7.905 -5.976 1.00 0.00 O ATOM 926 CB GLU A 425 15.893 9.239 -2.884 1.00 0.00 C ATOM 927 CG GLU A 425 16.302 10.559 -2.253 1.00 0.00 C ATOM 928 CD GLU A 425 17.377 11.277 -3.046 1.00 0.00 C ATOM 929 OE1 GLU A 425 18.569 10.962 -2.851 1.00 0.00 O ATOM 930 OE2 GLU A 425 17.025 12.154 -3.862 1.00 0.00 O ATOM 0 H GLU A 425 13.550 9.999 -2.711 1.00 0.00 H new ATOM 0 HA GLU A 425 15.452 10.105 -4.802 1.00 0.00 H new ATOM 0 HB2 GLU A 425 15.374 8.635 -2.139 1.00 0.00 H new ATOM 0 HB3 GLU A 425 16.790 8.690 -3.171 1.00 0.00 H new ATOM 0 HG2 GLU A 425 15.427 11.203 -2.168 1.00 0.00 H new ATOM 0 HG3 GLU A 425 16.663 10.377 -1.241 1.00 0.00 H new ATOM 937 N PHE A 426 14.259 7.087 -4.122 1.00 0.00 N ATOM 938 CA PHE A 426 14.054 5.758 -4.684 1.00 0.00 C ATOM 939 C PHE A 426 13.701 5.842 -6.166 1.00 0.00 C ATOM 940 O PHE A 426 14.242 5.102 -6.987 1.00 0.00 O ATOM 941 CB PHE A 426 12.946 5.025 -3.925 1.00 0.00 C ATOM 942 CG PHE A 426 12.414 3.824 -4.653 1.00 0.00 C ATOM 943 CD1 PHE A 426 13.234 2.738 -4.917 1.00 0.00 C ATOM 944 CD2 PHE A 426 11.094 3.780 -5.073 1.00 0.00 C ATOM 945 CE1 PHE A 426 12.747 1.631 -5.586 1.00 0.00 C ATOM 946 CE2 PHE A 426 10.602 2.675 -5.742 1.00 0.00 C ATOM 947 CZ PHE A 426 11.430 1.600 -6.000 1.00 0.00 C ATOM 0 H PHE A 426 13.923 7.197 -3.165 1.00 0.00 H new ATOM 0 HA PHE A 426 14.985 5.201 -4.582 1.00 0.00 H new ATOM 0 HB2 PHE A 426 13.328 4.711 -2.954 1.00 0.00 H new ATOM 0 HB3 PHE A 426 12.126 5.718 -3.736 1.00 0.00 H new ATOM 0 HD1 PHE A 426 14.265 2.757 -4.596 1.00 0.00 H new ATOM 0 HD2 PHE A 426 10.443 4.618 -4.875 1.00 0.00 H new ATOM 0 HE1 PHE A 426 13.396 0.791 -5.785 1.00 0.00 H new ATOM 0 HE2 PHE A 426 9.571 2.652 -6.063 1.00 0.00 H new ATOM 0 HZ PHE A 426 11.048 0.737 -6.525 1.00 0.00 H new ATOM 957 N GLU A 427 12.789 6.750 -6.500 1.00 0.00 N ATOM 958 CA GLU A 427 12.363 6.930 -7.883 1.00 0.00 C ATOM 959 C GLU A 427 13.381 7.757 -8.663 1.00 0.00 C ATOM 960 O GLU A 427 13.777 7.390 -9.770 1.00 0.00 O ATOM 961 CB GLU A 427 10.993 7.610 -7.933 1.00 0.00 C ATOM 962 CG GLU A 427 9.829 6.645 -7.788 1.00 0.00 C ATOM 963 CD GLU A 427 9.451 5.984 -9.100 1.00 0.00 C ATOM 964 OE1 GLU A 427 10.282 5.224 -9.641 1.00 0.00 O ATOM 965 OE2 GLU A 427 8.327 6.228 -9.585 1.00 0.00 O ATOM 0 H GLU A 427 12.332 7.371 -5.833 1.00 0.00 H new ATOM 0 HA GLU A 427 12.290 5.945 -8.345 1.00 0.00 H new ATOM 0 HB2 GLU A 427 10.937 8.355 -7.139 1.00 0.00 H new ATOM 0 HB3 GLU A 427 10.896 8.144 -8.878 1.00 0.00 H new ATOM 0 HG2 GLU A 427 10.088 5.876 -7.060 1.00 0.00 H new ATOM 0 HG3 GLU A 427 8.965 7.180 -7.393 1.00 0.00 H new ATOM 972 N SER A 428 13.801 8.874 -8.078 1.00 0.00 N ATOM 973 CA SER A 428 14.770 9.755 -8.719 1.00 0.00 C ATOM 974 C SER A 428 15.943 8.957 -9.280 1.00 0.00 C ATOM 975 O SER A 428 16.217 8.993 -10.480 1.00 0.00 O ATOM 976 CB SER A 428 15.279 10.799 -7.724 1.00 0.00 C ATOM 977 OG SER A 428 15.981 11.836 -8.386 1.00 0.00 O ATOM 0 H SER A 428 13.485 9.190 -7.161 1.00 0.00 H new ATOM 0 HA SER A 428 14.271 10.263 -9.544 1.00 0.00 H new ATOM 0 HB2 SER A 428 14.439 11.220 -7.172 1.00 0.00 H new ATOM 0 HB3 SER A 428 15.933 10.322 -6.994 1.00 0.00 H new ATOM 0 HG SER A 428 16.294 12.491 -7.728 1.00 0.00 H new ATOM 983 N LEU A 429 16.632 8.236 -8.403 1.00 0.00 N ATOM 984 CA LEU A 429 17.777 7.427 -8.809 1.00 0.00 C ATOM 985 C LEU A 429 17.485 6.683 -10.108 1.00 0.00 C ATOM 986 O LEU A 429 18.298 6.686 -11.031 1.00 0.00 O ATOM 987 CB LEU A 429 18.138 6.430 -7.706 1.00 0.00 C ATOM 988 CG LEU A 429 18.756 7.023 -6.440 1.00 0.00 C ATOM 989 CD1 LEU A 429 18.863 5.966 -5.352 1.00 0.00 C ATOM 990 CD2 LEU A 429 20.123 7.619 -6.744 1.00 0.00 C ATOM 0 H LEU A 429 16.418 8.195 -7.406 1.00 0.00 H new ATOM 0 HA LEU A 429 18.622 8.095 -8.977 1.00 0.00 H new ATOM 0 HB2 LEU A 429 17.235 5.887 -7.425 1.00 0.00 H new ATOM 0 HB3 LEU A 429 18.834 5.700 -8.118 1.00 0.00 H new ATOM 0 HG LEU A 429 18.106 7.820 -6.080 1.00 0.00 H new ATOM 0 HD11 LEU A 429 19.305 6.407 -4.459 1.00 0.00 H new ATOM 0 HD12 LEU A 429 17.869 5.586 -5.115 1.00 0.00 H new ATOM 0 HD13 LEU A 429 19.491 5.147 -5.701 1.00 0.00 H new ATOM 0 HD21 LEU A 429 20.549 8.037 -5.832 1.00 0.00 H new ATOM 0 HD22 LEU A 429 20.782 6.841 -7.129 1.00 0.00 H new ATOM 0 HD23 LEU A 429 20.019 8.407 -7.490 1.00 0.00 H new ATOM 1002 N GLN A 430 16.318 6.049 -10.171 1.00 0.00 N ATOM 1003 CA GLN A 430 15.919 5.302 -11.358 1.00 0.00 C ATOM 1004 C GLN A 430 15.820 6.221 -12.572 1.00 0.00 C ATOM 1005 O GLN A 430 15.726 7.441 -12.434 1.00 0.00 O ATOM 1006 CB GLN A 430 14.578 4.605 -11.121 1.00 0.00 C ATOM 1007 CG GLN A 430 14.676 3.389 -10.214 1.00 0.00 C ATOM 1008 CD GLN A 430 14.995 2.118 -10.976 1.00 0.00 C ATOM 1009 OE1 GLN A 430 15.019 2.108 -12.207 1.00 0.00 O ATOM 1010 NE2 GLN A 430 15.243 1.036 -10.247 1.00 0.00 N ATOM 0 H GLN A 430 15.633 6.038 -9.415 1.00 0.00 H new ATOM 0 HA GLN A 430 16.682 4.549 -11.556 1.00 0.00 H new ATOM 0 HB2 GLN A 430 13.879 5.318 -10.684 1.00 0.00 H new ATOM 0 HB3 GLN A 430 14.162 4.299 -12.081 1.00 0.00 H new ATOM 0 HG2 GLN A 430 15.447 3.561 -9.463 1.00 0.00 H new ATOM 0 HG3 GLN A 430 13.734 3.262 -9.680 1.00 0.00 H new ATOM 0 HE21 GLN A 430 15.212 1.089 -9.229 1.00 0.00 H new ATOM 0 HE22 GLN A 430 15.464 0.152 -10.705 1.00 0.00 H new ATOM 1019 N VAL A 431 15.842 5.627 -13.761 1.00 0.00 N ATOM 1020 CA VAL A 431 15.754 6.392 -14.999 1.00 0.00 C ATOM 1021 C VAL A 431 14.741 5.774 -15.956 1.00 0.00 C ATOM 1022 O VAL A 431 14.971 4.701 -16.512 1.00 0.00 O ATOM 1023 CB VAL A 431 17.122 6.480 -15.703 1.00 0.00 C ATOM 1024 CG1 VAL A 431 16.981 7.149 -17.061 1.00 0.00 C ATOM 1025 CG2 VAL A 431 18.122 7.226 -14.833 1.00 0.00 C ATOM 0 H VAL A 431 15.920 4.619 -13.893 1.00 0.00 H new ATOM 0 HA VAL A 431 15.428 7.396 -14.728 1.00 0.00 H new ATOM 0 HB VAL A 431 17.496 5.468 -15.860 1.00 0.00 H new ATOM 0 HG11 VAL A 431 17.957 7.202 -17.543 1.00 0.00 H new ATOM 0 HG12 VAL A 431 16.300 6.569 -17.683 1.00 0.00 H new ATOM 0 HG13 VAL A 431 16.585 8.156 -16.931 1.00 0.00 H new ATOM 0 HG21 VAL A 431 19.082 7.279 -15.346 1.00 0.00 H new ATOM 0 HG22 VAL A 431 17.757 8.235 -14.642 1.00 0.00 H new ATOM 0 HG23 VAL A 431 18.245 6.700 -13.886 1.00 0.00 H new TER 1035 VAL A 431