USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=17 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 Set 1.1: A 386 THR OG1 : rot 5:sc= 0.85 USER MOD Set 1.2: A 397 HIS : no HD1:sc= -0.312 X(o=0.54,f=0.86) USER MOD Set 2.1: A 366 SER OG : rot 180:sc= 0.745 USER MOD Set 2.2: A 368 SER OG : rot 89:sc= 0.847 USER MOD Single : A 365 SER OG : rot 180:sc= 0 USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 371 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 374 TYR OH : rot 180:sc= 0 USER MOD Single : A 385 HIS : no HD1:sc= -2.96! C(o=-3!,f=-6.6!) USER MOD Single : A 387 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 401 LYS NZ :NH3+ -134:sc= -1.76 (180deg=-3.14!) 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 53:sc= 0.882 USER MOD Single : A 411 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 422 LYS NZ :NH3+ -143:sc= -0.014 (180deg=-0.988) 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= -0.349 K(o=-0.35,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 364 22.754 11.702 5.807 1.00 0.00 N ATOM 2 CA GLY A 364 23.559 11.917 6.995 1.00 0.00 C ATOM 3 C GLY A 364 22.866 12.801 8.013 1.00 0.00 C ATOM 4 O GLY A 364 21.887 12.393 8.636 1.00 0.00 O ATOM 0 HA2 GLY A 364 23.791 10.955 7.452 1.00 0.00 H new ATOM 0 HA3 GLY A 364 24.508 12.371 6.710 1.00 0.00 H new ATOM 8 N SER A 365 23.377 14.017 8.183 1.00 0.00 N ATOM 9 CA SER A 365 22.804 14.960 9.137 1.00 0.00 C ATOM 10 C SER A 365 21.281 14.965 9.047 1.00 0.00 C ATOM 11 O SER A 365 20.711 15.205 7.983 1.00 0.00 O ATOM 12 CB SER A 365 23.346 16.368 8.882 1.00 0.00 C ATOM 13 OG SER A 365 24.727 16.445 9.188 1.00 0.00 O ATOM 0 H SER A 365 24.186 14.372 7.673 1.00 0.00 H new ATOM 0 HA SER A 365 23.090 14.644 10.140 1.00 0.00 H new ATOM 0 HB2 SER A 365 23.186 16.639 7.839 1.00 0.00 H new ATOM 0 HB3 SER A 365 22.795 17.088 9.487 1.00 0.00 H new ATOM 0 HG SER A 365 25.050 17.354 9.015 1.00 0.00 H new ATOM 19 N SER A 366 20.628 14.698 10.174 1.00 0.00 N ATOM 20 CA SER A 366 19.171 14.668 10.223 1.00 0.00 C ATOM 21 C SER A 366 18.652 15.430 11.439 1.00 0.00 C ATOM 22 O SER A 366 17.892 16.388 11.308 1.00 0.00 O ATOM 23 CB SER A 366 18.670 13.223 10.261 1.00 0.00 C ATOM 24 OG SER A 366 17.255 13.174 10.321 1.00 0.00 O ATOM 0 H SER A 366 21.085 14.500 11.064 1.00 0.00 H new ATOM 0 HA SER A 366 18.792 15.153 9.323 1.00 0.00 H new ATOM 0 HB2 SER A 366 19.018 12.691 9.376 1.00 0.00 H new ATOM 0 HB3 SER A 366 19.092 12.712 11.126 1.00 0.00 H new ATOM 0 HG SER A 366 16.961 12.239 10.343 1.00 0.00 H new ATOM 30 N GLY A 367 19.071 14.996 12.624 1.00 0.00 N ATOM 31 CA GLY A 367 18.640 15.647 13.848 1.00 0.00 C ATOM 32 C GLY A 367 17.131 15.694 13.979 1.00 0.00 C ATOM 33 O GLY A 367 16.568 16.704 14.400 1.00 0.00 O ATOM 0 H GLY A 367 19.701 14.205 12.758 1.00 0.00 H new ATOM 0 HA2 GLY A 367 19.060 15.119 14.704 1.00 0.00 H new ATOM 0 HA3 GLY A 367 19.036 16.662 13.875 1.00 0.00 H new ATOM 37 N SER A 368 16.472 14.598 13.615 1.00 0.00 N ATOM 38 CA SER A 368 15.018 14.520 13.688 1.00 0.00 C ATOM 39 C SER A 368 14.569 14.046 15.067 1.00 0.00 C ATOM 40 O SER A 368 13.649 13.236 15.188 1.00 0.00 O ATOM 41 CB SER A 368 14.482 13.574 12.612 1.00 0.00 C ATOM 42 OG SER A 368 14.718 14.092 11.314 1.00 0.00 O ATOM 0 H SER A 368 16.923 13.752 13.267 1.00 0.00 H new ATOM 0 HA SER A 368 14.616 15.518 13.517 1.00 0.00 H new ATOM 0 HB2 SER A 368 14.959 12.599 12.710 1.00 0.00 H new ATOM 0 HB3 SER A 368 13.413 13.422 12.757 1.00 0.00 H new ATOM 0 HG SER A 368 15.593 13.787 10.994 1.00 0.00 H new ATOM 48 N SER A 369 15.224 14.557 16.104 1.00 0.00 N ATOM 49 CA SER A 369 14.896 14.184 17.475 1.00 0.00 C ATOM 50 C SER A 369 13.467 14.592 17.822 1.00 0.00 C ATOM 51 O SER A 369 13.230 15.682 18.341 1.00 0.00 O ATOM 52 CB SER A 369 15.876 14.837 18.452 1.00 0.00 C ATOM 53 OG SER A 369 17.191 14.343 18.261 1.00 0.00 O ATOM 0 H SER A 369 15.985 15.231 16.021 1.00 0.00 H new ATOM 0 HA SER A 369 14.977 13.100 17.560 1.00 0.00 H new ATOM 0 HB2 SER A 369 15.866 15.918 18.314 1.00 0.00 H new ATOM 0 HB3 SER A 369 15.557 14.644 19.476 1.00 0.00 H new ATOM 0 HG SER A 369 17.799 14.777 18.896 1.00 0.00 H new ATOM 59 N GLY A 370 12.518 13.708 17.530 1.00 0.00 N ATOM 60 CA GLY A 370 11.125 13.993 17.817 1.00 0.00 C ATOM 61 C GLY A 370 10.459 12.889 18.613 1.00 0.00 C ATOM 62 O GLY A 370 10.321 12.989 19.831 1.00 0.00 O ATOM 0 H GLY A 370 12.689 12.799 17.100 1.00 0.00 H new ATOM 0 HA2 GLY A 370 11.056 14.929 18.371 1.00 0.00 H new ATOM 0 HA3 GLY A 370 10.586 14.137 16.880 1.00 0.00 H new ATOM 66 N ASN A 371 10.042 11.832 17.922 1.00 0.00 N ATOM 67 CA ASN A 371 9.384 10.705 18.572 1.00 0.00 C ATOM 68 C ASN A 371 10.405 9.658 19.009 1.00 0.00 C ATOM 69 O ASN A 371 11.521 9.590 18.495 1.00 0.00 O ATOM 70 CB ASN A 371 8.360 10.072 17.629 1.00 0.00 C ATOM 71 CG ASN A 371 7.012 10.764 17.691 1.00 0.00 C ATOM 72 OD1 ASN A 371 6.421 10.900 18.763 1.00 0.00 O ATOM 73 ND2 ASN A 371 6.519 11.204 16.540 1.00 0.00 N ATOM 0 H ASN A 371 10.148 11.733 16.912 1.00 0.00 H new ATOM 0 HA ASN A 371 8.870 11.078 19.458 1.00 0.00 H new ATOM 0 HB2 ASN A 371 8.738 10.110 16.608 1.00 0.00 H new ATOM 0 HB3 ASN A 371 8.237 9.019 17.884 1.00 0.00 H new ATOM 0 HD21 ASN A 371 5.615 11.677 16.520 1.00 0.00 H new ATOM 0 HD22 ASN A 371 7.044 11.069 15.676 1.00 0.00 H new ATOM 80 N PRO A 372 10.014 8.820 19.981 1.00 0.00 N ATOM 81 CA PRO A 372 10.879 7.760 20.508 1.00 0.00 C ATOM 82 C PRO A 372 11.104 6.640 19.498 1.00 0.00 C ATOM 83 O PRO A 372 11.817 5.675 19.775 1.00 0.00 O ATOM 84 CB PRO A 372 10.103 7.239 21.720 1.00 0.00 C ATOM 85 CG PRO A 372 8.679 7.560 21.425 1.00 0.00 C ATOM 86 CD PRO A 372 8.697 8.842 20.640 1.00 0.00 C ATOM 0 HA PRO A 372 11.876 8.129 20.749 1.00 0.00 H new ATOM 0 HB2 PRO A 372 10.248 6.167 21.852 1.00 0.00 H new ATOM 0 HB3 PRO A 372 10.435 7.721 22.640 1.00 0.00 H new ATOM 0 HG2 PRO A 372 8.209 6.759 20.854 1.00 0.00 H new ATOM 0 HG3 PRO A 372 8.106 7.674 22.345 1.00 0.00 H new ATOM 0 HD2 PRO A 372 7.885 8.880 19.914 1.00 0.00 H new ATOM 0 HD3 PRO A 372 8.586 9.712 21.288 1.00 0.00 H new ATOM 94 N ASP A 373 10.492 6.774 18.326 1.00 0.00 N ATOM 95 CA ASP A 373 10.627 5.774 17.274 1.00 0.00 C ATOM 96 C ASP A 373 12.092 5.404 17.060 1.00 0.00 C ATOM 97 O ASP A 373 12.864 6.184 16.502 1.00 0.00 O ATOM 98 CB ASP A 373 10.023 6.292 15.968 1.00 0.00 C ATOM 99 CG ASP A 373 8.747 7.079 16.192 1.00 0.00 C ATOM 100 OD1 ASP A 373 8.101 6.874 17.241 1.00 0.00 O ATOM 101 OD2 ASP A 373 8.394 7.899 15.319 1.00 0.00 O ATOM 0 H ASP A 373 9.898 7.566 18.081 1.00 0.00 H new ATOM 0 HA ASP A 373 10.087 4.880 17.586 1.00 0.00 H new ATOM 0 HB2 ASP A 373 10.751 6.924 15.460 1.00 0.00 H new ATOM 0 HB3 ASP A 373 9.816 5.450 15.308 1.00 0.00 H new ATOM 106 N TYR A 374 12.468 4.212 17.509 1.00 0.00 N ATOM 107 CA TYR A 374 13.840 3.741 17.370 1.00 0.00 C ATOM 108 C TYR A 374 14.139 3.351 15.925 1.00 0.00 C ATOM 109 O TYR A 374 15.223 3.621 15.408 1.00 0.00 O ATOM 110 CB TYR A 374 14.088 2.547 18.293 1.00 0.00 C ATOM 111 CG TYR A 374 12.946 1.556 18.321 1.00 0.00 C ATOM 112 CD1 TYR A 374 11.901 1.695 19.226 1.00 0.00 C ATOM 113 CD2 TYR A 374 12.913 0.479 17.443 1.00 0.00 C ATOM 114 CE1 TYR A 374 10.856 0.792 19.255 1.00 0.00 C ATOM 115 CE2 TYR A 374 11.872 -0.428 17.465 1.00 0.00 C ATOM 116 CZ TYR A 374 10.846 -0.268 18.372 1.00 0.00 C ATOM 117 OH TYR A 374 9.807 -1.170 18.398 1.00 0.00 O ATOM 0 H TYR A 374 11.841 3.554 17.973 1.00 0.00 H new ATOM 0 HA TYR A 374 14.507 4.556 17.653 1.00 0.00 H new ATOM 0 HB2 TYR A 374 14.995 2.034 17.974 1.00 0.00 H new ATOM 0 HB3 TYR A 374 14.267 2.911 19.305 1.00 0.00 H new ATOM 0 HD1 TYR A 374 11.906 2.523 19.919 1.00 0.00 H new ATOM 0 HD2 TYR A 374 13.715 0.349 16.732 1.00 0.00 H new ATOM 0 HE1 TYR A 374 10.051 0.915 19.965 1.00 0.00 H new ATOM 0 HE2 TYR A 374 11.862 -1.259 16.775 1.00 0.00 H new ATOM 0 HH TYR A 374 9.951 -1.855 17.712 1.00 0.00 H new ATOM 127 N VAL A 375 13.168 2.713 15.278 1.00 0.00 N ATOM 128 CA VAL A 375 13.324 2.287 13.893 1.00 0.00 C ATOM 129 C VAL A 375 13.933 3.396 13.042 1.00 0.00 C ATOM 130 O VAL A 375 13.606 4.570 13.210 1.00 0.00 O ATOM 131 CB VAL A 375 11.976 1.866 13.280 1.00 0.00 C ATOM 132 CG1 VAL A 375 10.991 3.026 13.308 1.00 0.00 C ATOM 133 CG2 VAL A 375 12.172 1.358 11.859 1.00 0.00 C ATOM 0 H VAL A 375 12.265 2.480 15.692 1.00 0.00 H new ATOM 0 HA VAL A 375 13.995 1.428 13.900 1.00 0.00 H new ATOM 0 HB VAL A 375 11.563 1.054 13.878 1.00 0.00 H new ATOM 0 HG11 VAL A 375 10.044 2.710 12.871 1.00 0.00 H new ATOM 0 HG12 VAL A 375 10.828 3.340 14.339 1.00 0.00 H new ATOM 0 HG13 VAL A 375 11.395 3.860 12.734 1.00 0.00 H new ATOM 0 HG21 VAL A 375 11.209 1.065 11.441 1.00 0.00 H new ATOM 0 HG22 VAL A 375 12.608 2.148 11.247 1.00 0.00 H new ATOM 0 HG23 VAL A 375 12.840 0.497 11.869 1.00 0.00 H new ATOM 143 N GLU A 376 14.821 3.014 12.129 1.00 0.00 N ATOM 144 CA GLU A 376 15.476 3.977 11.252 1.00 0.00 C ATOM 145 C GLU A 376 15.465 3.490 9.805 1.00 0.00 C ATOM 146 O GLU A 376 16.354 2.752 9.380 1.00 0.00 O ATOM 147 CB GLU A 376 16.915 4.220 11.709 1.00 0.00 C ATOM 148 CG GLU A 376 17.037 5.262 12.808 1.00 0.00 C ATOM 149 CD GLU A 376 17.018 6.681 12.272 1.00 0.00 C ATOM 150 OE1 GLU A 376 15.935 7.142 11.854 1.00 0.00 O ATOM 151 OE2 GLU A 376 18.085 7.329 12.270 1.00 0.00 O ATOM 0 H GLU A 376 15.103 2.045 11.978 1.00 0.00 H new ATOM 0 HA GLU A 376 14.923 4.914 11.306 1.00 0.00 H new ATOM 0 HB2 GLU A 376 17.339 3.280 12.063 1.00 0.00 H new ATOM 0 HB3 GLU A 376 17.511 4.536 10.853 1.00 0.00 H new ATOM 0 HG2 GLU A 376 16.219 5.134 13.517 1.00 0.00 H new ATOM 0 HG3 GLU A 376 17.964 5.098 13.358 1.00 0.00 H new ATOM 158 N VAL A 377 14.453 3.909 9.053 1.00 0.00 N ATOM 159 CA VAL A 377 14.326 3.518 7.654 1.00 0.00 C ATOM 160 C VAL A 377 15.618 3.780 6.891 1.00 0.00 C ATOM 161 O VAL A 377 15.929 4.922 6.550 1.00 0.00 O ATOM 162 CB VAL A 377 13.172 4.269 6.964 1.00 0.00 C ATOM 163 CG1 VAL A 377 13.051 3.841 5.509 1.00 0.00 C ATOM 164 CG2 VAL A 377 11.865 4.038 7.707 1.00 0.00 C ATOM 0 H VAL A 377 13.708 4.520 9.389 1.00 0.00 H new ATOM 0 HA VAL A 377 14.112 2.449 7.642 1.00 0.00 H new ATOM 0 HB VAL A 377 13.392 5.336 6.987 1.00 0.00 H new ATOM 0 HG11 VAL A 377 12.230 4.382 5.038 1.00 0.00 H new ATOM 0 HG12 VAL A 377 13.981 4.064 4.986 1.00 0.00 H new ATOM 0 HG13 VAL A 377 12.855 2.770 5.460 1.00 0.00 H new ATOM 0 HG21 VAL A 377 11.061 4.576 7.205 1.00 0.00 H new ATOM 0 HG22 VAL A 377 11.636 2.972 7.718 1.00 0.00 H new ATOM 0 HG23 VAL A 377 11.960 4.400 8.731 1.00 0.00 H new ATOM 174 N ASP A 378 16.368 2.717 6.624 1.00 0.00 N ATOM 175 CA ASP A 378 17.628 2.831 5.898 1.00 0.00 C ATOM 176 C ASP A 378 17.387 3.282 4.460 1.00 0.00 C ATOM 177 O ASP A 378 17.982 4.255 3.997 1.00 0.00 O ATOM 178 CB ASP A 378 18.371 1.495 5.909 1.00 0.00 C ATOM 179 CG ASP A 378 19.812 1.630 5.458 1.00 0.00 C ATOM 180 OD1 ASP A 378 20.674 1.929 6.310 1.00 0.00 O ATOM 181 OD2 ASP A 378 20.077 1.437 4.253 1.00 0.00 O ATOM 0 H ASP A 378 16.125 1.765 6.900 1.00 0.00 H new ATOM 0 HA ASP A 378 18.240 3.582 6.398 1.00 0.00 H new ATOM 0 HB2 ASP A 378 18.346 1.077 6.915 1.00 0.00 H new ATOM 0 HB3 ASP A 378 17.854 0.790 5.258 1.00 0.00 H new ATOM 186 N ARG A 379 16.513 2.568 3.760 1.00 0.00 N ATOM 187 CA ARG A 379 16.196 2.893 2.374 1.00 0.00 C ATOM 188 C ARG A 379 15.081 1.994 1.846 1.00 0.00 C ATOM 189 O ARG A 379 14.659 1.052 2.518 1.00 0.00 O ATOM 190 CB ARG A 379 17.441 2.749 1.497 1.00 0.00 C ATOM 191 CG ARG A 379 17.822 1.305 1.214 1.00 0.00 C ATOM 192 CD ARG A 379 19.014 1.218 0.273 1.00 0.00 C ATOM 193 NE ARG A 379 18.683 1.674 -1.074 1.00 0.00 N ATOM 194 CZ ARG A 379 18.042 0.927 -1.966 1.00 0.00 C ATOM 195 NH1 ARG A 379 17.665 -0.306 -1.654 1.00 0.00 N ATOM 196 NH2 ARG A 379 17.776 1.412 -3.172 1.00 0.00 N ATOM 0 H ARG A 379 16.011 1.760 4.129 1.00 0.00 H new ATOM 0 HA ARG A 379 15.853 3.927 2.339 1.00 0.00 H new ATOM 0 HB2 ARG A 379 17.270 3.263 0.551 1.00 0.00 H new ATOM 0 HB3 ARG A 379 18.278 3.248 1.985 1.00 0.00 H new ATOM 0 HG2 ARG A 379 18.058 0.800 2.150 1.00 0.00 H new ATOM 0 HG3 ARG A 379 16.972 0.782 0.776 1.00 0.00 H new ATOM 0 HD2 ARG A 379 19.832 1.820 0.668 1.00 0.00 H new ATOM 0 HD3 ARG A 379 19.367 0.188 0.230 1.00 0.00 H new ATOM 0 HE ARG A 379 18.959 2.618 -1.345 1.00 0.00 H new ATOM 0 HH11 ARG A 379 17.867 -0.682 -0.728 1.00 0.00 H new ATOM 0 HH12 ARG A 379 17.173 -0.878 -2.340 1.00 0.00 H new ATOM 0 HH21 ARG A 379 18.064 2.360 -3.415 1.00 0.00 H new ATOM 0 HH22 ARG A 379 17.284 0.837 -3.856 1.00 0.00 H new ATOM 210 N ILE A 380 14.609 2.292 0.641 1.00 0.00 N ATOM 211 CA ILE A 380 13.545 1.511 0.023 1.00 0.00 C ATOM 212 C ILE A 380 14.095 0.595 -1.065 1.00 0.00 C ATOM 213 O ILE A 380 15.018 0.963 -1.794 1.00 0.00 O ATOM 214 CB ILE A 380 12.461 2.420 -0.587 1.00 0.00 C ATOM 215 CG1 ILE A 380 11.891 3.357 0.480 1.00 0.00 C ATOM 216 CG2 ILE A 380 11.354 1.581 -1.208 1.00 0.00 C ATOM 217 CD1 ILE A 380 11.199 4.574 -0.092 1.00 0.00 C ATOM 0 H ILE A 380 14.947 3.069 0.073 1.00 0.00 H new ATOM 0 HA ILE A 380 13.099 0.906 0.812 1.00 0.00 H new ATOM 0 HB ILE A 380 12.915 3.026 -1.371 1.00 0.00 H new ATOM 0 HG12 ILE A 380 11.184 2.804 1.098 1.00 0.00 H new ATOM 0 HG13 ILE A 380 12.699 3.683 1.135 1.00 0.00 H new ATOM 0 HG21 ILE A 380 10.596 2.238 -1.635 1.00 0.00 H new ATOM 0 HG22 ILE A 380 11.772 0.951 -1.993 1.00 0.00 H new ATOM 0 HG23 ILE A 380 10.900 0.953 -0.442 1.00 0.00 H new ATOM 0 HD11 ILE A 380 10.820 5.193 0.721 1.00 0.00 H new ATOM 0 HD12 ILE A 380 11.908 5.150 -0.686 1.00 0.00 H new ATOM 0 HD13 ILE A 380 10.369 4.257 -0.724 1.00 0.00 H new ATOM 229 N LEU A 381 13.523 -0.599 -1.171 1.00 0.00 N ATOM 230 CA LEU A 381 13.955 -1.568 -2.172 1.00 0.00 C ATOM 231 C LEU A 381 13.152 -1.415 -3.460 1.00 0.00 C ATOM 232 O LEU A 381 13.707 -1.112 -4.515 1.00 0.00 O ATOM 233 CB LEU A 381 13.805 -2.991 -1.630 1.00 0.00 C ATOM 234 CG LEU A 381 14.917 -3.475 -0.699 1.00 0.00 C ATOM 235 CD1 LEU A 381 14.480 -4.724 0.050 1.00 0.00 C ATOM 236 CD2 LEU A 381 16.193 -3.741 -1.485 1.00 0.00 C ATOM 0 H LEU A 381 12.759 -0.919 -0.576 1.00 0.00 H new ATOM 0 HA LEU A 381 15.005 -1.379 -2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 381 12.857 -3.057 -1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 381 13.743 -3.676 -2.476 1.00 0.00 H new ATOM 0 HG LEU A 381 15.120 -2.691 0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 381 15.284 -5.054 0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 381 13.594 -4.501 0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 381 14.248 -5.514 -0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 381 16.974 -4.085 -0.806 1.00 0.00 H new ATOM 0 HD22 LEU A 381 16.004 -4.506 -2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 381 16.517 -2.823 -1.975 1.00 0.00 H new ATOM 248 N GLU A 382 11.843 -1.625 -3.364 1.00 0.00 N ATOM 249 CA GLU A 382 10.964 -1.509 -4.521 1.00 0.00 C ATOM 250 C GLU A 382 9.556 -1.102 -4.097 1.00 0.00 C ATOM 251 O GLU A 382 9.239 -1.067 -2.908 1.00 0.00 O ATOM 252 CB GLU A 382 10.915 -2.833 -5.287 1.00 0.00 C ATOM 253 CG GLU A 382 12.020 -2.980 -6.320 1.00 0.00 C ATOM 254 CD GLU A 382 11.797 -2.111 -7.542 1.00 0.00 C ATOM 255 OE1 GLU A 382 10.629 -1.771 -7.823 1.00 0.00 O ATOM 256 OE2 GLU A 382 12.791 -1.770 -8.216 1.00 0.00 O ATOM 0 H GLU A 382 11.368 -1.876 -2.497 1.00 0.00 H new ATOM 0 HA GLU A 382 11.366 -0.734 -5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 382 10.982 -3.657 -4.576 1.00 0.00 H new ATOM 0 HB3 GLU A 382 9.949 -2.919 -5.785 1.00 0.00 H new ATOM 0 HG2 GLU A 382 12.975 -2.720 -5.864 1.00 0.00 H new ATOM 0 HG3 GLU A 382 12.087 -4.023 -6.628 1.00 0.00 H new ATOM 263 N VAL A 383 8.715 -0.793 -5.079 1.00 0.00 N ATOM 264 CA VAL A 383 7.340 -0.389 -4.809 1.00 0.00 C ATOM 265 C VAL A 383 6.348 -1.309 -5.511 1.00 0.00 C ATOM 266 O VAL A 383 6.612 -1.801 -6.608 1.00 0.00 O ATOM 267 CB VAL A 383 7.084 1.062 -5.258 1.00 0.00 C ATOM 268 CG1 VAL A 383 7.295 1.203 -6.758 1.00 0.00 C ATOM 269 CG2 VAL A 383 5.681 1.501 -4.865 1.00 0.00 C ATOM 0 H VAL A 383 8.962 -0.815 -6.068 1.00 0.00 H new ATOM 0 HA VAL A 383 7.195 -0.460 -3.731 1.00 0.00 H new ATOM 0 HB VAL A 383 7.799 1.712 -4.753 1.00 0.00 H new ATOM 0 HG11 VAL A 383 7.109 2.235 -7.056 1.00 0.00 H new ATOM 0 HG12 VAL A 383 8.321 0.932 -7.008 1.00 0.00 H new ATOM 0 HG13 VAL A 383 6.606 0.543 -7.286 1.00 0.00 H new ATOM 0 HG21 VAL A 383 5.517 2.528 -5.190 1.00 0.00 H new ATOM 0 HG22 VAL A 383 4.949 0.849 -5.341 1.00 0.00 H new ATOM 0 HG23 VAL A 383 5.571 1.441 -3.782 1.00 0.00 H new ATOM 279 N ALA A 384 5.206 -1.537 -4.871 1.00 0.00 N ATOM 280 CA ALA A 384 4.173 -2.396 -5.435 1.00 0.00 C ATOM 281 C ALA A 384 2.813 -1.706 -5.416 1.00 0.00 C ATOM 282 O ALA A 384 2.454 -1.047 -4.439 1.00 0.00 O ATOM 283 CB ALA A 384 4.109 -3.713 -4.676 1.00 0.00 C ATOM 0 H ALA A 384 4.973 -1.139 -3.961 1.00 0.00 H new ATOM 0 HA ALA A 384 4.433 -2.600 -6.474 1.00 0.00 H new ATOM 0 HB1 ALA A 384 3.333 -4.345 -5.108 1.00 0.00 H new ATOM 0 HB2 ALA A 384 5.071 -4.221 -4.746 1.00 0.00 H new ATOM 0 HB3 ALA A 384 3.877 -3.519 -3.629 1.00 0.00 H new ATOM 289 N HIS A 385 2.060 -1.861 -6.500 1.00 0.00 N ATOM 290 CA HIS A 385 0.739 -1.252 -6.607 1.00 0.00 C ATOM 291 C HIS A 385 -0.353 -2.317 -6.597 1.00 0.00 C ATOM 292 O HIS A 385 -0.324 -3.260 -7.389 1.00 0.00 O ATOM 293 CB HIS A 385 0.641 -0.416 -7.883 1.00 0.00 C ATOM 294 CG HIS A 385 1.658 0.680 -7.961 1.00 0.00 C ATOM 295 ND1 HIS A 385 2.566 0.938 -6.955 1.00 0.00 N ATOM 296 CD2 HIS A 385 1.909 1.588 -8.934 1.00 0.00 C ATOM 297 CE1 HIS A 385 3.330 1.957 -7.305 1.00 0.00 C ATOM 298 NE2 HIS A 385 2.953 2.369 -8.502 1.00 0.00 N ATOM 0 H HIS A 385 2.342 -2.403 -7.317 1.00 0.00 H new ATOM 0 HA HIS A 385 0.595 -0.602 -5.744 1.00 0.00 H new ATOM 0 HB2 HIS A 385 0.758 -1.071 -8.746 1.00 0.00 H new ATOM 0 HB3 HIS A 385 -0.356 0.020 -7.946 1.00 0.00 H new ATOM 0 HD2 HIS A 385 1.386 1.681 -9.874 1.00 0.00 H new ATOM 0 HE1 HIS A 385 4.127 2.381 -6.713 1.00 0.00 H new ATOM 0 HE2 HIS A 385 3.370 3.142 -9.021 1.00 0.00 H new ATOM 306 N THR A 386 -1.317 -2.162 -5.694 1.00 0.00 N ATOM 307 CA THR A 386 -2.417 -3.111 -5.580 1.00 0.00 C ATOM 308 C THR A 386 -3.760 -2.392 -5.531 1.00 0.00 C ATOM 309 O THR A 386 -3.853 -1.257 -5.063 1.00 0.00 O ATOM 310 CB THR A 386 -2.272 -3.990 -4.323 1.00 0.00 C ATOM 311 OG1 THR A 386 -2.056 -3.166 -3.172 1.00 0.00 O ATOM 312 CG2 THR A 386 -1.118 -4.969 -4.477 1.00 0.00 C ATOM 0 H THR A 386 -1.358 -1.388 -5.031 1.00 0.00 H new ATOM 0 HA THR A 386 -2.380 -3.746 -6.465 1.00 0.00 H new ATOM 0 HB THR A 386 -3.194 -4.558 -4.195 1.00 0.00 H new ATOM 0 HG1 THR A 386 -2.131 -2.223 -3.426 1.00 0.00 H new ATOM 0 HG21 THR A 386 -1.035 -5.579 -3.577 1.00 0.00 H new ATOM 0 HG22 THR A 386 -1.300 -5.614 -5.337 1.00 0.00 H new ATOM 0 HG23 THR A 386 -0.190 -4.417 -4.628 1.00 0.00 H new ATOM 320 N LYS A 387 -4.801 -3.060 -6.018 1.00 0.00 N ATOM 321 CA LYS A 387 -6.141 -2.486 -6.029 1.00 0.00 C ATOM 322 C LYS A 387 -7.068 -3.250 -5.089 1.00 0.00 C ATOM 323 O LYS A 387 -7.390 -4.414 -5.330 1.00 0.00 O ATOM 324 CB LYS A 387 -6.713 -2.500 -7.449 1.00 0.00 C ATOM 325 CG LYS A 387 -7.727 -1.399 -7.707 1.00 0.00 C ATOM 326 CD LYS A 387 -8.467 -1.619 -9.016 1.00 0.00 C ATOM 327 CE LYS A 387 -9.647 -2.562 -8.837 1.00 0.00 C ATOM 328 NZ LYS A 387 -10.324 -2.854 -10.131 1.00 0.00 N ATOM 0 H LYS A 387 -4.742 -4.000 -6.410 1.00 0.00 H new ATOM 0 HA LYS A 387 -6.070 -1.455 -5.683 1.00 0.00 H new ATOM 0 HB2 LYS A 387 -5.895 -2.403 -8.162 1.00 0.00 H new ATOM 0 HB3 LYS A 387 -7.183 -3.466 -7.633 1.00 0.00 H new ATOM 0 HG2 LYS A 387 -8.442 -1.362 -6.885 1.00 0.00 H new ATOM 0 HG3 LYS A 387 -7.220 -0.434 -7.732 1.00 0.00 H new ATOM 0 HD2 LYS A 387 -8.820 -0.662 -9.401 1.00 0.00 H new ATOM 0 HD3 LYS A 387 -7.782 -2.029 -9.758 1.00 0.00 H new ATOM 0 HE2 LYS A 387 -9.303 -3.494 -8.389 1.00 0.00 H new ATOM 0 HE3 LYS A 387 -10.363 -2.120 -8.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 387 -11.123 -3.500 -9.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 387 -10.675 -1.968 -10.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 387 -9.648 -3.299 -10.784 1.00 0.00 H new ATOM 342 N ASP A 388 -7.495 -2.588 -4.019 1.00 0.00 N ATOM 343 CA ASP A 388 -8.387 -3.205 -3.044 1.00 0.00 C ATOM 344 C ASP A 388 -9.647 -3.736 -3.721 1.00 0.00 C ATOM 345 O ASP A 388 -10.422 -2.974 -4.297 1.00 0.00 O ATOM 346 CB ASP A 388 -8.763 -2.197 -1.957 1.00 0.00 C ATOM 347 CG ASP A 388 -9.025 -2.860 -0.619 1.00 0.00 C ATOM 348 OD1 ASP A 388 -10.030 -3.594 -0.507 1.00 0.00 O ATOM 349 OD2 ASP A 388 -8.226 -2.646 0.316 1.00 0.00 O ATOM 0 H ASP A 388 -7.238 -1.624 -3.805 1.00 0.00 H new ATOM 0 HA ASP A 388 -7.862 -4.043 -2.586 1.00 0.00 H new ATOM 0 HB2 ASP A 388 -7.960 -1.469 -1.847 1.00 0.00 H new ATOM 0 HB3 ASP A 388 -9.652 -1.647 -2.267 1.00 0.00 H new ATOM 354 N ALA A 389 -9.843 -5.048 -3.647 1.00 0.00 N ATOM 355 CA ALA A 389 -11.009 -5.681 -4.251 1.00 0.00 C ATOM 356 C ALA A 389 -12.193 -5.683 -3.290 1.00 0.00 C ATOM 357 O ALA A 389 -12.845 -6.708 -3.096 1.00 0.00 O ATOM 358 CB ALA A 389 -10.675 -7.102 -4.681 1.00 0.00 C ATOM 0 H ALA A 389 -9.210 -5.693 -3.175 1.00 0.00 H new ATOM 0 HA ALA A 389 -11.290 -5.102 -5.131 1.00 0.00 H new ATOM 0 HB1 ALA A 389 -11.555 -7.562 -5.130 1.00 0.00 H new ATOM 0 HB2 ALA A 389 -9.865 -7.081 -5.410 1.00 0.00 H new ATOM 0 HB3 ALA A 389 -10.366 -7.682 -3.811 1.00 0.00 H new ATOM 364 N GLU A 390 -12.464 -4.527 -2.691 1.00 0.00 N ATOM 365 CA GLU A 390 -13.569 -4.397 -1.748 1.00 0.00 C ATOM 366 C GLU A 390 -14.371 -3.128 -2.022 1.00 0.00 C ATOM 367 O GLU A 390 -15.586 -3.176 -2.214 1.00 0.00 O ATOM 368 CB GLU A 390 -13.044 -4.382 -0.311 1.00 0.00 C ATOM 369 CG GLU A 390 -12.571 -5.740 0.179 1.00 0.00 C ATOM 370 CD GLU A 390 -12.258 -5.748 1.663 1.00 0.00 C ATOM 371 OE1 GLU A 390 -13.205 -5.634 2.469 1.00 0.00 O ATOM 372 OE2 GLU A 390 -11.067 -5.869 2.017 1.00 0.00 O ATOM 0 H GLU A 390 -11.934 -3.668 -2.842 1.00 0.00 H new ATOM 0 HA GLU A 390 -14.226 -5.257 -1.877 1.00 0.00 H new ATOM 0 HB2 GLU A 390 -12.219 -3.673 -0.242 1.00 0.00 H new ATOM 0 HB3 GLU A 390 -13.831 -4.021 0.351 1.00 0.00 H new ATOM 0 HG2 GLU A 390 -13.338 -6.485 -0.031 1.00 0.00 H new ATOM 0 HG3 GLU A 390 -11.681 -6.033 -0.378 1.00 0.00 H new ATOM 379 N THR A 391 -13.681 -1.991 -2.037 1.00 0.00 N ATOM 380 CA THR A 391 -14.328 -0.709 -2.285 1.00 0.00 C ATOM 381 C THR A 391 -13.663 0.027 -3.443 1.00 0.00 C ATOM 382 O THR A 391 -13.669 1.256 -3.495 1.00 0.00 O ATOM 383 CB THR A 391 -14.293 0.189 -1.034 1.00 0.00 C ATOM 384 OG1 THR A 391 -12.998 0.134 -0.427 1.00 0.00 O ATOM 385 CG2 THR A 391 -15.349 -0.244 -0.028 1.00 0.00 C ATOM 0 H THR A 391 -12.675 -1.933 -1.880 1.00 0.00 H new ATOM 0 HA THR A 391 -15.366 -0.923 -2.541 1.00 0.00 H new ATOM 0 HB THR A 391 -14.505 1.213 -1.343 1.00 0.00 H new ATOM 0 HG1 THR A 391 -12.984 0.709 0.366 1.00 0.00 H new ATOM 0 HG21 THR A 391 -15.305 0.404 0.847 1.00 0.00 H new ATOM 0 HG22 THR A 391 -16.337 -0.173 -0.484 1.00 0.00 H new ATOM 0 HG23 THR A 391 -15.163 -1.274 0.274 1.00 0.00 H new ATOM 393 N GLY A 392 -13.091 -0.734 -4.372 1.00 0.00 N ATOM 394 CA GLY A 392 -12.431 -0.135 -5.517 1.00 0.00 C ATOM 395 C GLY A 392 -11.480 0.977 -5.122 1.00 0.00 C ATOM 396 O GLY A 392 -11.350 1.972 -5.835 1.00 0.00 O ATOM 0 H GLY A 392 -13.073 -1.754 -4.352 1.00 0.00 H new ATOM 0 HA2 GLY A 392 -11.881 -0.904 -6.059 1.00 0.00 H new ATOM 0 HA3 GLY A 392 -13.183 0.260 -6.200 1.00 0.00 H new ATOM 400 N GLU A 393 -10.816 0.809 -3.983 1.00 0.00 N ATOM 401 CA GLU A 393 -9.874 1.810 -3.495 1.00 0.00 C ATOM 402 C GLU A 393 -8.463 1.520 -3.998 1.00 0.00 C ATOM 403 O GLU A 393 -8.180 0.428 -4.490 1.00 0.00 O ATOM 404 CB GLU A 393 -9.884 1.848 -1.965 1.00 0.00 C ATOM 405 CG GLU A 393 -10.979 2.727 -1.385 1.00 0.00 C ATOM 406 CD GLU A 393 -10.736 4.202 -1.633 1.00 0.00 C ATOM 407 OE1 GLU A 393 -9.562 4.627 -1.579 1.00 0.00 O ATOM 408 OE2 GLU A 393 -11.717 4.933 -1.883 1.00 0.00 O ATOM 0 H GLU A 393 -10.912 -0.009 -3.382 1.00 0.00 H new ATOM 0 HA GLU A 393 -10.185 2.782 -3.878 1.00 0.00 H new ATOM 0 HB2 GLU A 393 -10.005 0.833 -1.586 1.00 0.00 H new ATOM 0 HB3 GLU A 393 -8.917 2.207 -1.613 1.00 0.00 H new ATOM 0 HG2 GLU A 393 -11.937 2.442 -1.820 1.00 0.00 H new ATOM 0 HG3 GLU A 393 -11.051 2.550 -0.312 1.00 0.00 H new ATOM 415 N GLU A 394 -7.582 2.508 -3.872 1.00 0.00 N ATOM 416 CA GLU A 394 -6.200 2.360 -4.315 1.00 0.00 C ATOM 417 C GLU A 394 -5.275 2.089 -3.132 1.00 0.00 C ATOM 418 O GLU A 394 -5.359 2.754 -2.099 1.00 0.00 O ATOM 419 CB GLU A 394 -5.742 3.616 -5.058 1.00 0.00 C ATOM 420 CG GLU A 394 -5.451 4.793 -4.142 1.00 0.00 C ATOM 421 CD GLU A 394 -6.687 5.288 -3.418 1.00 0.00 C ATOM 422 OE1 GLU A 394 -7.583 5.846 -4.087 1.00 0.00 O ATOM 423 OE2 GLU A 394 -6.760 5.120 -2.183 1.00 0.00 O ATOM 0 H GLU A 394 -7.800 3.418 -3.467 1.00 0.00 H new ATOM 0 HA GLU A 394 -6.152 1.508 -4.993 1.00 0.00 H new ATOM 0 HB2 GLU A 394 -4.845 3.382 -5.631 1.00 0.00 H new ATOM 0 HB3 GLU A 394 -6.511 3.905 -5.774 1.00 0.00 H new ATOM 0 HG2 GLU A 394 -4.698 4.501 -3.410 1.00 0.00 H new ATOM 0 HG3 GLU A 394 -5.027 5.608 -4.728 1.00 0.00 H new ATOM 430 N VAL A 395 -4.393 1.108 -3.291 1.00 0.00 N ATOM 431 CA VAL A 395 -3.451 0.749 -2.238 1.00 0.00 C ATOM 432 C VAL A 395 -2.058 0.502 -2.806 1.00 0.00 C ATOM 433 O VAL A 395 -1.863 -0.382 -3.641 1.00 0.00 O ATOM 434 CB VAL A 395 -3.913 -0.508 -1.476 1.00 0.00 C ATOM 435 CG1 VAL A 395 -2.900 -0.887 -0.406 1.00 0.00 C ATOM 436 CG2 VAL A 395 -5.288 -0.286 -0.866 1.00 0.00 C ATOM 0 H VAL A 395 -4.311 0.547 -4.139 1.00 0.00 H new ATOM 0 HA VAL A 395 -3.414 1.591 -1.547 1.00 0.00 H new ATOM 0 HB VAL A 395 -3.984 -1.334 -2.183 1.00 0.00 H new ATOM 0 HG11 VAL A 395 -3.244 -1.777 0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 395 -1.937 -1.091 -0.873 1.00 0.00 H new ATOM 0 HG13 VAL A 395 -2.793 -0.065 0.301 1.00 0.00 H new ATOM 0 HG21 VAL A 395 -5.598 -1.184 -0.332 1.00 0.00 H new ATOM 0 HG22 VAL A 395 -5.247 0.553 -0.172 1.00 0.00 H new ATOM 0 HG23 VAL A 395 -6.006 -0.068 -1.657 1.00 0.00 H new ATOM 446 N THR A 396 -1.090 1.290 -2.348 1.00 0.00 N ATOM 447 CA THR A 396 0.286 1.158 -2.811 1.00 0.00 C ATOM 448 C THR A 396 1.211 0.743 -1.674 1.00 0.00 C ATOM 449 O THR A 396 1.375 1.471 -0.695 1.00 0.00 O ATOM 450 CB THR A 396 0.801 2.475 -3.422 1.00 0.00 C ATOM 451 OG1 THR A 396 -0.126 2.958 -4.401 1.00 0.00 O ATOM 452 CG2 THR A 396 2.166 2.276 -4.065 1.00 0.00 C ATOM 0 H THR A 396 -1.234 2.026 -1.657 1.00 0.00 H new ATOM 0 HA THR A 396 0.289 0.384 -3.578 1.00 0.00 H new ATOM 0 HB THR A 396 0.897 3.208 -2.621 1.00 0.00 H new ATOM 0 HG1 THR A 396 0.209 3.796 -4.783 1.00 0.00 H new ATOM 0 HG21 THR A 396 2.509 3.219 -4.490 1.00 0.00 H new ATOM 0 HG22 THR A 396 2.877 1.937 -3.312 1.00 0.00 H new ATOM 0 HG23 THR A 396 2.091 1.529 -4.855 1.00 0.00 H new ATOM 460 N HIS A 397 1.817 -0.433 -1.809 1.00 0.00 N ATOM 461 CA HIS A 397 2.728 -0.946 -0.792 1.00 0.00 C ATOM 462 C HIS A 397 4.176 -0.616 -1.144 1.00 0.00 C ATOM 463 O HIS A 397 4.604 -0.796 -2.285 1.00 0.00 O ATOM 464 CB HIS A 397 2.559 -2.458 -0.641 1.00 0.00 C ATOM 465 CG HIS A 397 1.377 -2.848 0.193 1.00 0.00 C ATOM 466 ND1 HIS A 397 0.138 -3.126 -0.342 1.00 0.00 N ATOM 467 CD2 HIS A 397 1.252 -3.006 1.532 1.00 0.00 C ATOM 468 CE1 HIS A 397 -0.700 -3.438 0.631 1.00 0.00 C ATOM 469 NE2 HIS A 397 -0.048 -3.373 1.778 1.00 0.00 N ATOM 0 H HIS A 397 1.693 -1.048 -2.613 1.00 0.00 H new ATOM 0 HA HIS A 397 2.484 -0.465 0.155 1.00 0.00 H new ATOM 0 HB2 HIS A 397 2.459 -2.905 -1.630 1.00 0.00 H new ATOM 0 HB3 HIS A 397 3.462 -2.873 -0.194 1.00 0.00 H new ATOM 0 HD2 HIS A 397 2.030 -2.869 2.269 1.00 0.00 H new ATOM 0 HE1 HIS A 397 -1.740 -3.701 0.509 1.00 0.00 H new ATOM 0 HE2 HIS A 397 -0.446 -3.564 2.697 1.00 0.00 H new ATOM 477 N TYR A 398 4.924 -0.133 -0.159 1.00 0.00 N ATOM 478 CA TYR A 398 6.322 0.224 -0.366 1.00 0.00 C ATOM 479 C TYR A 398 7.239 -0.654 0.479 1.00 0.00 C ATOM 480 O TYR A 398 7.220 -0.590 1.710 1.00 0.00 O ATOM 481 CB TYR A 398 6.550 1.698 -0.023 1.00 0.00 C ATOM 482 CG TYR A 398 6.125 2.647 -1.120 1.00 0.00 C ATOM 483 CD1 TYR A 398 6.939 2.875 -2.222 1.00 0.00 C ATOM 484 CD2 TYR A 398 4.909 3.316 -1.054 1.00 0.00 C ATOM 485 CE1 TYR A 398 6.555 3.743 -3.227 1.00 0.00 C ATOM 486 CE2 TYR A 398 4.516 4.185 -2.054 1.00 0.00 C ATOM 487 CZ TYR A 398 5.343 4.395 -3.138 1.00 0.00 C ATOM 488 OH TYR A 398 4.957 5.259 -4.137 1.00 0.00 O ATOM 0 H TYR A 398 4.586 0.020 0.791 1.00 0.00 H new ATOM 0 HA TYR A 398 6.561 0.061 -1.417 1.00 0.00 H new ATOM 0 HB2 TYR A 398 6.002 1.940 0.888 1.00 0.00 H new ATOM 0 HB3 TYR A 398 7.607 1.853 0.191 1.00 0.00 H new ATOM 0 HD1 TYR A 398 7.888 2.365 -2.295 1.00 0.00 H new ATOM 0 HD2 TYR A 398 4.260 3.154 -0.206 1.00 0.00 H new ATOM 0 HE1 TYR A 398 7.200 3.910 -4.077 1.00 0.00 H new ATOM 0 HE2 TYR A 398 3.567 4.697 -1.987 1.00 0.00 H new ATOM 0 HH TYR A 398 4.078 5.635 -3.923 1.00 0.00 H new ATOM 498 N LEU A 399 8.043 -1.474 -0.189 1.00 0.00 N ATOM 499 CA LEU A 399 8.970 -2.366 0.499 1.00 0.00 C ATOM 500 C LEU A 399 10.077 -1.575 1.188 1.00 0.00 C ATOM 501 O LEU A 399 11.099 -1.257 0.579 1.00 0.00 O ATOM 502 CB LEU A 399 9.579 -3.362 -0.490 1.00 0.00 C ATOM 503 CG LEU A 399 10.587 -4.353 0.092 1.00 0.00 C ATOM 504 CD1 LEU A 399 9.951 -5.171 1.205 1.00 0.00 C ATOM 505 CD2 LEU A 399 11.128 -5.265 -1.000 1.00 0.00 C ATOM 0 H LEU A 399 8.072 -1.540 -1.206 1.00 0.00 H new ATOM 0 HA LEU A 399 8.412 -2.913 1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 399 8.769 -3.927 -0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 399 10.069 -2.800 -1.285 1.00 0.00 H new ATOM 0 HG LEU A 399 11.419 -3.790 0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 399 10.684 -5.871 1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 399 9.613 -4.505 1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 399 9.100 -5.725 0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 399 11.844 -5.964 -0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 399 10.306 -5.820 -1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 399 11.622 -4.665 -1.764 1.00 0.00 H new ATOM 517 N VAL A 400 9.868 -1.260 2.462 1.00 0.00 N ATOM 518 CA VAL A 400 10.850 -0.509 3.236 1.00 0.00 C ATOM 519 C VAL A 400 12.013 -1.399 3.658 1.00 0.00 C ATOM 520 O VAL A 400 11.814 -2.517 4.135 1.00 0.00 O ATOM 521 CB VAL A 400 10.215 0.118 4.491 1.00 0.00 C ATOM 522 CG1 VAL A 400 11.239 0.945 5.251 1.00 0.00 C ATOM 523 CG2 VAL A 400 9.009 0.964 4.112 1.00 0.00 C ATOM 0 H VAL A 400 9.027 -1.513 2.981 1.00 0.00 H new ATOM 0 HA VAL A 400 11.221 0.287 2.590 1.00 0.00 H new ATOM 0 HB VAL A 400 9.875 -0.685 5.145 1.00 0.00 H new ATOM 0 HG11 VAL A 400 10.772 1.380 6.135 1.00 0.00 H new ATOM 0 HG12 VAL A 400 12.068 0.307 5.556 1.00 0.00 H new ATOM 0 HG13 VAL A 400 11.612 1.742 4.608 1.00 0.00 H new ATOM 0 HG21 VAL A 400 8.573 1.399 5.011 1.00 0.00 H new ATOM 0 HG22 VAL A 400 9.321 1.761 3.438 1.00 0.00 H new ATOM 0 HG23 VAL A 400 8.267 0.338 3.615 1.00 0.00 H new ATOM 533 N LYS A 401 13.230 -0.895 3.482 1.00 0.00 N ATOM 534 CA LYS A 401 14.428 -1.642 3.846 1.00 0.00 C ATOM 535 C LYS A 401 15.171 -0.957 4.988 1.00 0.00 C ATOM 536 O LYS A 401 15.859 0.043 4.782 1.00 0.00 O ATOM 537 CB LYS A 401 15.353 -1.785 2.635 1.00 0.00 C ATOM 538 CG LYS A 401 16.134 -3.088 2.616 1.00 0.00 C ATOM 539 CD LYS A 401 17.199 -3.116 3.699 1.00 0.00 C ATOM 540 CE LYS A 401 18.532 -2.597 3.182 1.00 0.00 C ATOM 541 NZ LYS A 401 18.670 -1.128 3.382 1.00 0.00 N ATOM 0 H LYS A 401 13.412 0.028 3.089 1.00 0.00 H new ATOM 0 HA LYS A 401 14.120 -2.633 4.179 1.00 0.00 H new ATOM 0 HB2 LYS A 401 14.759 -1.714 1.724 1.00 0.00 H new ATOM 0 HB3 LYS A 401 16.054 -0.951 2.624 1.00 0.00 H new ATOM 0 HG2 LYS A 401 15.450 -3.925 2.755 1.00 0.00 H new ATOM 0 HG3 LYS A 401 16.602 -3.218 1.640 1.00 0.00 H new ATOM 0 HD2 LYS A 401 16.875 -2.510 4.545 1.00 0.00 H new ATOM 0 HD3 LYS A 401 17.321 -4.136 4.065 1.00 0.00 H new ATOM 0 HE2 LYS A 401 19.345 -3.111 3.694 1.00 0.00 H new ATOM 0 HE3 LYS A 401 18.626 -2.830 2.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 19.030 -0.691 2.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 17.742 -0.721 3.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 19.334 -0.945 4.161 1.00 0.00 H new ATOM 555 N TRP A 402 15.027 -1.500 6.192 1.00 0.00 N ATOM 556 CA TRP A 402 15.685 -0.941 7.367 1.00 0.00 C ATOM 557 C TRP A 402 16.688 -1.929 7.951 1.00 0.00 C ATOM 558 O TRP A 402 16.519 -3.143 7.831 1.00 0.00 O ATOM 559 CB TRP A 402 14.649 -0.561 8.425 1.00 0.00 C ATOM 560 CG TRP A 402 13.490 -1.510 8.489 1.00 0.00 C ATOM 561 CD1 TRP A 402 13.515 -2.851 8.236 1.00 0.00 C ATOM 562 CD2 TRP A 402 12.137 -1.187 8.827 1.00 0.00 C ATOM 563 NE1 TRP A 402 12.257 -3.383 8.396 1.00 0.00 N ATOM 564 CE2 TRP A 402 11.395 -2.383 8.758 1.00 0.00 C ATOM 565 CE3 TRP A 402 11.480 -0.006 9.181 1.00 0.00 C ATOM 566 CZ2 TRP A 402 10.030 -2.428 9.031 1.00 0.00 C ATOM 567 CZ3 TRP A 402 10.125 -0.053 9.451 1.00 0.00 C ATOM 568 CH2 TRP A 402 9.412 -1.257 9.376 1.00 0.00 C ATOM 0 H TRP A 402 14.460 -2.327 6.380 1.00 0.00 H new ATOM 0 HA TRP A 402 16.224 -0.045 7.059 1.00 0.00 H new ATOM 0 HB2 TRP A 402 15.133 -0.524 9.401 1.00 0.00 H new ATOM 0 HB3 TRP A 402 14.277 0.442 8.215 1.00 0.00 H new ATOM 0 HD1 TRP A 402 14.393 -3.412 7.952 1.00 0.00 H new ATOM 0 HE1 TRP A 402 12.007 -4.363 8.266 1.00 0.00 H new ATOM 0 HE3 TRP A 402 12.021 0.927 9.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 402 9.479 -3.355 8.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 402 9.607 0.854 9.725 1.00 0.00 H new ATOM 0 HH2 TRP A 402 8.354 -1.261 9.595 1.00 0.00 H new ATOM 579 N CYS A 403 17.732 -1.403 8.583 1.00 0.00 N ATOM 580 CA CYS A 403 18.763 -2.240 9.186 1.00 0.00 C ATOM 581 C CYS A 403 18.349 -2.691 10.583 1.00 0.00 C ATOM 582 O CYS A 403 18.285 -3.887 10.867 1.00 0.00 O ATOM 583 CB CYS A 403 20.089 -1.483 9.252 1.00 0.00 C ATOM 584 SG CYS A 403 21.461 -2.454 9.921 1.00 0.00 S ATOM 0 H CYS A 403 17.887 -0.401 8.691 1.00 0.00 H new ATOM 0 HA CYS A 403 18.890 -3.125 8.562 1.00 0.00 H new ATOM 0 HB2 CYS A 403 20.352 -1.145 8.250 1.00 0.00 H new ATOM 0 HB3 CYS A 403 19.956 -0.591 9.865 1.00 0.00 H new ATOM 0 HG CYS A 403 22.540 -1.729 9.935 1.00 0.00 H new ATOM 590 N SER A 404 18.072 -1.724 11.452 1.00 0.00 N ATOM 591 CA SER A 404 17.670 -2.021 12.822 1.00 0.00 C ATOM 592 C SER A 404 16.872 -3.320 12.885 1.00 0.00 C ATOM 593 O SER A 404 17.048 -4.127 13.799 1.00 0.00 O ATOM 594 CB SER A 404 16.838 -0.871 13.393 1.00 0.00 C ATOM 595 OG SER A 404 16.352 -1.185 14.686 1.00 0.00 O ATOM 0 H SER A 404 18.119 -0.729 11.232 1.00 0.00 H new ATOM 0 HA SER A 404 18.573 -2.140 13.421 1.00 0.00 H new ATOM 0 HB2 SER A 404 17.445 0.033 13.439 1.00 0.00 H new ATOM 0 HB3 SER A 404 16.001 -0.659 12.728 1.00 0.00 H new ATOM 0 HG SER A 404 15.825 -0.433 15.029 1.00 0.00 H new ATOM 601 N LEU A 405 15.994 -3.515 11.908 1.00 0.00 N ATOM 602 CA LEU A 405 15.167 -4.716 11.850 1.00 0.00 C ATOM 603 C LEU A 405 15.800 -5.770 10.947 1.00 0.00 C ATOM 604 O LEU A 405 16.590 -5.464 10.054 1.00 0.00 O ATOM 605 CB LEU A 405 13.766 -4.371 11.345 1.00 0.00 C ATOM 606 CG LEU A 405 12.825 -3.725 12.364 1.00 0.00 C ATOM 607 CD1 LEU A 405 11.638 -3.084 11.663 1.00 0.00 C ATOM 608 CD2 LEU A 405 12.354 -4.753 13.382 1.00 0.00 C ATOM 0 H LEU A 405 15.836 -2.857 11.145 1.00 0.00 H new ATOM 0 HA LEU A 405 15.093 -5.124 12.858 1.00 0.00 H new ATOM 0 HB2 LEU A 405 13.864 -3.698 10.493 1.00 0.00 H new ATOM 0 HB3 LEU A 405 13.299 -5.285 10.977 1.00 0.00 H new ATOM 0 HG LEU A 405 13.373 -2.945 12.892 1.00 0.00 H new ATOM 0 HD11 LEU A 405 10.980 -2.630 12.404 1.00 0.00 H new ATOM 0 HD12 LEU A 405 11.993 -2.317 10.974 1.00 0.00 H new ATOM 0 HD13 LEU A 405 11.089 -3.845 11.108 1.00 0.00 H new ATOM 0 HD21 LEU A 405 11.686 -4.276 14.099 1.00 0.00 H new ATOM 0 HD22 LEU A 405 11.823 -5.556 12.870 1.00 0.00 H new ATOM 0 HD23 LEU A 405 13.215 -5.165 13.908 1.00 0.00 H new ATOM 620 N PRO A 406 15.445 -7.042 11.182 1.00 0.00 N ATOM 621 CA PRO A 406 15.964 -8.167 10.399 1.00 0.00 C ATOM 622 C PRO A 406 15.426 -8.177 8.972 1.00 0.00 C ATOM 623 O PRO A 406 14.216 -8.249 8.755 1.00 0.00 O ATOM 624 CB PRO A 406 15.467 -9.394 11.167 1.00 0.00 C ATOM 625 CG PRO A 406 14.252 -8.921 11.889 1.00 0.00 C ATOM 626 CD PRO A 406 14.508 -7.479 12.231 1.00 0.00 C ATOM 0 HA PRO A 406 17.048 -8.124 10.294 1.00 0.00 H new ATOM 0 HB2 PRO A 406 15.231 -10.216 10.491 1.00 0.00 H new ATOM 0 HB3 PRO A 406 16.223 -9.760 11.862 1.00 0.00 H new ATOM 0 HG2 PRO A 406 13.364 -9.022 11.266 1.00 0.00 H new ATOM 0 HG3 PRO A 406 14.079 -9.511 12.789 1.00 0.00 H new ATOM 0 HD2 PRO A 406 13.589 -6.893 12.218 1.00 0.00 H new ATOM 0 HD3 PRO A 406 14.940 -7.372 13.226 1.00 0.00 H new ATOM 634 N TYR A 407 16.331 -8.104 8.003 1.00 0.00 N ATOM 635 CA TYR A 407 15.947 -8.103 6.596 1.00 0.00 C ATOM 636 C TYR A 407 14.819 -9.098 6.339 1.00 0.00 C ATOM 637 O TYR A 407 13.750 -8.729 5.854 1.00 0.00 O ATOM 638 CB TYR A 407 17.151 -8.442 5.716 1.00 0.00 C ATOM 639 CG TYR A 407 16.795 -8.674 4.266 1.00 0.00 C ATOM 640 CD1 TYR A 407 16.651 -7.607 3.386 1.00 0.00 C ATOM 641 CD2 TYR A 407 16.601 -9.959 3.774 1.00 0.00 C ATOM 642 CE1 TYR A 407 16.325 -7.814 2.060 1.00 0.00 C ATOM 643 CE2 TYR A 407 16.277 -10.175 2.449 1.00 0.00 C ATOM 644 CZ TYR A 407 16.139 -9.100 1.596 1.00 0.00 C ATOM 645 OH TYR A 407 15.814 -9.311 0.276 1.00 0.00 O ATOM 0 H TYR A 407 17.336 -8.045 8.166 1.00 0.00 H new ATOM 0 HA TYR A 407 15.591 -7.104 6.344 1.00 0.00 H new ATOM 0 HB2 TYR A 407 17.876 -7.630 5.778 1.00 0.00 H new ATOM 0 HB3 TYR A 407 17.638 -9.335 6.109 1.00 0.00 H new ATOM 0 HD1 TYR A 407 16.797 -6.599 3.746 1.00 0.00 H new ATOM 0 HD2 TYR A 407 16.705 -10.803 4.439 1.00 0.00 H new ATOM 0 HE1 TYR A 407 16.216 -6.974 1.390 1.00 0.00 H new ATOM 0 HE2 TYR A 407 16.132 -11.181 2.083 1.00 0.00 H new ATOM 0 HH TYR A 407 15.719 -10.273 0.112 1.00 0.00 H new ATOM 655 N GLU A 408 15.067 -10.362 6.669 1.00 0.00 N ATOM 656 CA GLU A 408 14.074 -11.411 6.474 1.00 0.00 C ATOM 657 C GLU A 408 12.663 -10.874 6.700 1.00 0.00 C ATOM 658 O GLU A 408 11.719 -11.275 6.020 1.00 0.00 O ATOM 659 CB GLU A 408 14.343 -12.582 7.421 1.00 0.00 C ATOM 660 CG GLU A 408 14.344 -12.190 8.889 1.00 0.00 C ATOM 661 CD GLU A 408 14.250 -13.388 9.814 1.00 0.00 C ATOM 662 OE1 GLU A 408 13.435 -14.291 9.533 1.00 0.00 O ATOM 663 OE2 GLU A 408 14.992 -13.421 10.818 1.00 0.00 O ATOM 0 H GLU A 408 15.947 -10.684 7.072 1.00 0.00 H new ATOM 0 HA GLU A 408 14.151 -11.761 5.444 1.00 0.00 H new ATOM 0 HB2 GLU A 408 13.587 -13.350 7.259 1.00 0.00 H new ATOM 0 HB3 GLU A 408 15.307 -13.026 7.172 1.00 0.00 H new ATOM 0 HG2 GLU A 408 15.255 -11.634 9.112 1.00 0.00 H new ATOM 0 HG3 GLU A 408 13.506 -11.520 9.083 1.00 0.00 H new ATOM 670 N GLU A 409 12.530 -9.964 7.660 1.00 0.00 N ATOM 671 CA GLU A 409 11.235 -9.373 7.977 1.00 0.00 C ATOM 672 C GLU A 409 10.947 -8.177 7.073 1.00 0.00 C ATOM 673 O GLU A 409 10.396 -7.170 7.515 1.00 0.00 O ATOM 674 CB GLU A 409 11.193 -8.938 9.443 1.00 0.00 C ATOM 675 CG GLU A 409 10.797 -10.053 10.397 1.00 0.00 C ATOM 676 CD GLU A 409 9.577 -10.819 9.924 1.00 0.00 C ATOM 677 OE1 GLU A 409 8.569 -10.171 9.575 1.00 0.00 O ATOM 678 OE2 GLU A 409 9.630 -12.067 9.905 1.00 0.00 O ATOM 0 H GLU A 409 13.302 -9.620 8.231 1.00 0.00 H new ATOM 0 HA GLU A 409 10.468 -10.129 7.807 1.00 0.00 H new ATOM 0 HB2 GLU A 409 12.174 -8.558 9.729 1.00 0.00 H new ATOM 0 HB3 GLU A 409 10.488 -8.113 9.549 1.00 0.00 H new ATOM 0 HG2 GLU A 409 11.633 -10.743 10.511 1.00 0.00 H new ATOM 0 HG3 GLU A 409 10.597 -9.630 11.381 1.00 0.00 H new ATOM 685 N SER A 410 11.326 -8.298 5.804 1.00 0.00 N ATOM 686 CA SER A 410 11.112 -7.227 4.838 1.00 0.00 C ATOM 687 C SER A 410 9.623 -6.958 4.644 1.00 0.00 C ATOM 688 O SER A 410 8.930 -7.704 3.951 1.00 0.00 O ATOM 689 CB SER A 410 11.757 -7.585 3.497 1.00 0.00 C ATOM 690 OG SER A 410 13.144 -7.295 3.504 1.00 0.00 O ATOM 0 H SER A 410 11.782 -9.126 5.422 1.00 0.00 H new ATOM 0 HA SER A 410 11.578 -6.322 5.227 1.00 0.00 H new ATOM 0 HB2 SER A 410 11.605 -8.644 3.288 1.00 0.00 H new ATOM 0 HB3 SER A 410 11.270 -7.029 2.696 1.00 0.00 H new ATOM 0 HG SER A 410 13.563 -7.720 4.281 1.00 0.00 H new ATOM 696 N THR A 411 9.136 -5.887 5.262 1.00 0.00 N ATOM 697 CA THR A 411 7.729 -5.519 5.159 1.00 0.00 C ATOM 698 C THR A 411 7.527 -4.397 4.147 1.00 0.00 C ATOM 699 O THR A 411 8.490 -3.796 3.672 1.00 0.00 O ATOM 700 CB THR A 411 7.164 -5.074 6.521 1.00 0.00 C ATOM 701 OG1 THR A 411 5.749 -4.879 6.425 1.00 0.00 O ATOM 702 CG2 THR A 411 7.828 -3.787 6.988 1.00 0.00 C ATOM 0 H THR A 411 9.695 -5.259 5.839 1.00 0.00 H new ATOM 0 HA THR A 411 7.193 -6.407 4.824 1.00 0.00 H new ATOM 0 HB THR A 411 7.373 -5.857 7.249 1.00 0.00 H new ATOM 0 HG1 THR A 411 5.398 -4.598 7.296 1.00 0.00 H new ATOM 0 HG21 THR A 411 7.413 -3.492 7.952 1.00 0.00 H new ATOM 0 HG22 THR A 411 8.901 -3.947 7.089 1.00 0.00 H new ATOM 0 HG23 THR A 411 7.646 -2.998 6.258 1.00 0.00 H new ATOM 710 N TRP A 412 6.269 -4.121 3.821 1.00 0.00 N ATOM 711 CA TRP A 412 5.941 -3.070 2.865 1.00 0.00 C ATOM 712 C TRP A 412 5.005 -2.040 3.488 1.00 0.00 C ATOM 713 O TRP A 412 3.784 -2.176 3.419 1.00 0.00 O ATOM 714 CB TRP A 412 5.296 -3.672 1.616 1.00 0.00 C ATOM 715 CG TRP A 412 6.118 -4.757 0.987 1.00 0.00 C ATOM 716 CD1 TRP A 412 6.557 -5.903 1.585 1.00 0.00 C ATOM 717 CD2 TRP A 412 6.600 -4.795 -0.361 1.00 0.00 C ATOM 718 NE1 TRP A 412 7.283 -6.652 0.690 1.00 0.00 N ATOM 719 CE2 TRP A 412 7.323 -5.994 -0.510 1.00 0.00 C ATOM 720 CE3 TRP A 412 6.489 -3.934 -1.456 1.00 0.00 C ATOM 721 CZ2 TRP A 412 7.933 -6.350 -1.711 1.00 0.00 C ATOM 722 CZ3 TRP A 412 7.094 -4.289 -2.646 1.00 0.00 C ATOM 723 CH2 TRP A 412 7.808 -5.489 -2.766 1.00 0.00 C ATOM 0 H TRP A 412 5.460 -4.610 4.204 1.00 0.00 H new ATOM 0 HA TRP A 412 6.867 -2.569 2.582 1.00 0.00 H new ATOM 0 HB2 TRP A 412 4.317 -4.074 1.879 1.00 0.00 H new ATOM 0 HB3 TRP A 412 5.130 -2.881 0.884 1.00 0.00 H new ATOM 0 HD1 TRP A 412 6.362 -6.180 2.611 1.00 0.00 H new ATOM 0 HE1 TRP A 412 7.721 -7.552 0.888 1.00 0.00 H new ATOM 0 HE3 TRP A 412 5.940 -3.008 -1.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 412 8.485 -7.273 -1.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 412 7.015 -3.631 -3.498 1.00 0.00 H new ATOM 0 HH2 TRP A 412 8.269 -5.739 -3.710 1.00 0.00 H new ATOM 734 N GLU A 413 5.587 -1.010 4.096 1.00 0.00 N ATOM 735 CA GLU A 413 4.803 0.042 4.732 1.00 0.00 C ATOM 736 C GLU A 413 4.060 0.873 3.689 1.00 0.00 C ATOM 737 O GLU A 413 4.600 1.183 2.626 1.00 0.00 O ATOM 738 CB GLU A 413 5.708 0.947 5.570 1.00 0.00 C ATOM 739 CG GLU A 413 6.562 0.191 6.575 1.00 0.00 C ATOM 740 CD GLU A 413 5.877 0.030 7.918 1.00 0.00 C ATOM 741 OE1 GLU A 413 4.894 -0.737 7.993 1.00 0.00 O ATOM 742 OE2 GLU A 413 6.323 0.670 8.893 1.00 0.00 O ATOM 0 H GLU A 413 6.597 -0.882 4.161 1.00 0.00 H new ATOM 0 HA GLU A 413 4.069 -0.431 5.385 1.00 0.00 H new ATOM 0 HB2 GLU A 413 6.360 1.512 4.904 1.00 0.00 H new ATOM 0 HB3 GLU A 413 5.091 1.671 6.102 1.00 0.00 H new ATOM 0 HG2 GLU A 413 6.803 -0.793 6.174 1.00 0.00 H new ATOM 0 HG3 GLU A 413 7.506 0.718 6.714 1.00 0.00 H new ATOM 749 N LEU A 414 2.819 1.230 4.001 1.00 0.00 N ATOM 750 CA LEU A 414 2.001 2.024 3.091 1.00 0.00 C ATOM 751 C LEU A 414 2.596 3.415 2.896 1.00 0.00 C ATOM 752 O LEU A 414 3.154 3.997 3.826 1.00 0.00 O ATOM 753 CB LEU A 414 0.573 2.139 3.627 1.00 0.00 C ATOM 754 CG LEU A 414 -0.175 0.821 3.832 1.00 0.00 C ATOM 755 CD1 LEU A 414 -1.452 1.050 4.625 1.00 0.00 C ATOM 756 CD2 LEU A 414 -0.487 0.171 2.492 1.00 0.00 C ATOM 0 H LEU A 414 2.358 0.982 4.876 1.00 0.00 H new ATOM 0 HA LEU A 414 1.981 1.519 2.125 1.00 0.00 H new ATOM 0 HB2 LEU A 414 0.605 2.667 4.580 1.00 0.00 H new ATOM 0 HB3 LEU A 414 -0.003 2.758 2.939 1.00 0.00 H new ATOM 0 HG LEU A 414 0.465 0.147 4.400 1.00 0.00 H new ATOM 0 HD11 LEU A 414 -1.971 0.101 4.761 1.00 0.00 H new ATOM 0 HD12 LEU A 414 -1.205 1.471 5.599 1.00 0.00 H new ATOM 0 HD13 LEU A 414 -2.097 1.742 4.084 1.00 0.00 H new ATOM 0 HD21 LEU A 414 -1.019 -0.766 2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 414 -1.108 0.842 1.898 1.00 0.00 H new ATOM 0 HD23 LEU A 414 0.443 -0.029 1.959 1.00 0.00 H new ATOM 768 N GLU A 415 2.471 3.942 1.683 1.00 0.00 N ATOM 769 CA GLU A 415 2.996 5.266 1.367 1.00 0.00 C ATOM 770 C GLU A 415 2.876 6.199 2.569 1.00 0.00 C ATOM 771 O GLU A 415 3.760 7.016 2.823 1.00 0.00 O ATOM 772 CB GLU A 415 2.254 5.861 0.169 1.00 0.00 C ATOM 773 CG GLU A 415 2.933 7.087 -0.419 1.00 0.00 C ATOM 774 CD GLU A 415 2.920 8.271 0.528 1.00 0.00 C ATOM 775 OE1 GLU A 415 1.819 8.678 0.955 1.00 0.00 O ATOM 776 OE2 GLU A 415 4.011 8.791 0.841 1.00 0.00 O ATOM 0 H GLU A 415 2.011 3.473 0.903 1.00 0.00 H new ATOM 0 HA GLU A 415 4.051 5.160 1.115 1.00 0.00 H new ATOM 0 HB2 GLU A 415 2.163 5.100 -0.606 1.00 0.00 H new ATOM 0 HB3 GLU A 415 1.242 6.128 0.475 1.00 0.00 H new ATOM 0 HG2 GLU A 415 3.964 6.840 -0.672 1.00 0.00 H new ATOM 0 HG3 GLU A 415 2.434 7.364 -1.348 1.00 0.00 H new ATOM 783 N GLU A 416 1.774 6.070 3.303 1.00 0.00 N ATOM 784 CA GLU A 416 1.538 6.903 4.476 1.00 0.00 C ATOM 785 C GLU A 416 2.742 6.878 5.413 1.00 0.00 C ATOM 786 O GLU A 416 3.386 7.902 5.641 1.00 0.00 O ATOM 787 CB GLU A 416 0.288 6.430 5.221 1.00 0.00 C ATOM 788 CG GLU A 416 -1.009 6.742 4.493 1.00 0.00 C ATOM 789 CD GLU A 416 -0.927 6.455 3.006 1.00 0.00 C ATOM 790 OE1 GLU A 416 -0.532 7.365 2.248 1.00 0.00 O ATOM 791 OE2 GLU A 416 -1.258 5.321 2.601 1.00 0.00 O ATOM 0 H GLU A 416 1.033 5.398 3.106 1.00 0.00 H new ATOM 0 HA GLU A 416 1.385 7.928 4.137 1.00 0.00 H new ATOM 0 HB2 GLU A 416 0.356 5.354 5.380 1.00 0.00 H new ATOM 0 HB3 GLU A 416 0.264 6.897 6.206 1.00 0.00 H new ATOM 0 HG2 GLU A 416 -1.816 6.154 4.929 1.00 0.00 H new ATOM 0 HG3 GLU A 416 -1.262 7.791 4.643 1.00 0.00 H new ATOM 798 N ASP A 417 3.038 5.701 5.953 1.00 0.00 N ATOM 799 CA ASP A 417 4.165 5.541 6.866 1.00 0.00 C ATOM 800 C ASP A 417 5.467 5.980 6.204 1.00 0.00 C ATOM 801 O ASP A 417 6.284 6.670 6.814 1.00 0.00 O ATOM 802 CB ASP A 417 4.276 4.085 7.322 1.00 0.00 C ATOM 803 CG ASP A 417 5.560 3.812 8.080 1.00 0.00 C ATOM 804 OD1 ASP A 417 5.775 4.450 9.133 1.00 0.00 O ATOM 805 OD2 ASP A 417 6.350 2.961 7.621 1.00 0.00 O ATOM 0 H ASP A 417 2.514 4.844 5.775 1.00 0.00 H new ATOM 0 HA ASP A 417 3.989 6.174 7.736 1.00 0.00 H new ATOM 0 HB2 ASP A 417 3.424 3.840 7.956 1.00 0.00 H new ATOM 0 HB3 ASP A 417 4.225 3.430 6.452 1.00 0.00 H new ATOM 810 N VAL A 418 5.655 5.574 4.952 1.00 0.00 N ATOM 811 CA VAL A 418 6.858 5.926 4.207 1.00 0.00 C ATOM 812 C VAL A 418 6.846 7.397 3.806 1.00 0.00 C ATOM 813 O VAL A 418 6.213 7.777 2.820 1.00 0.00 O ATOM 814 CB VAL A 418 7.006 5.061 2.941 1.00 0.00 C ATOM 815 CG1 VAL A 418 8.246 5.467 2.159 1.00 0.00 C ATOM 816 CG2 VAL A 418 7.056 3.585 3.307 1.00 0.00 C ATOM 0 H VAL A 418 4.990 5.001 4.433 1.00 0.00 H new ATOM 0 HA VAL A 418 7.705 5.740 4.867 1.00 0.00 H new ATOM 0 HB VAL A 418 6.135 5.225 2.306 1.00 0.00 H new ATOM 0 HG11 VAL A 418 8.334 4.845 1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 418 8.164 6.513 1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 418 9.130 5.334 2.783 1.00 0.00 H new ATOM 0 HG21 VAL A 418 7.161 2.989 2.401 1.00 0.00 H new ATOM 0 HG22 VAL A 418 7.907 3.401 3.963 1.00 0.00 H new ATOM 0 HG23 VAL A 418 6.136 3.306 3.820 1.00 0.00 H new ATOM 826 N ASP A 419 7.549 8.220 4.576 1.00 0.00 N ATOM 827 CA ASP A 419 7.621 9.650 4.300 1.00 0.00 C ATOM 828 C ASP A 419 7.687 9.912 2.799 1.00 0.00 C ATOM 829 O ASP A 419 8.182 9.094 2.022 1.00 0.00 O ATOM 830 CB ASP A 419 8.840 10.263 4.991 1.00 0.00 C ATOM 831 CG ASP A 419 8.619 10.474 6.476 1.00 0.00 C ATOM 832 OD1 ASP A 419 8.574 9.470 7.217 1.00 0.00 O ATOM 833 OD2 ASP A 419 8.489 11.643 6.897 1.00 0.00 O ATOM 0 H ASP A 419 8.077 7.922 5.396 1.00 0.00 H new ATOM 0 HA ASP A 419 6.717 10.116 4.692 1.00 0.00 H new ATOM 0 HB2 ASP A 419 9.702 9.613 4.844 1.00 0.00 H new ATOM 0 HB3 ASP A 419 9.077 11.218 4.523 1.00 0.00 H new ATOM 838 N PRO A 420 7.174 11.078 2.378 1.00 0.00 N ATOM 839 CA PRO A 420 7.163 11.474 0.967 1.00 0.00 C ATOM 840 C PRO A 420 8.559 11.785 0.440 1.00 0.00 C ATOM 841 O PRO A 420 8.821 11.673 -0.757 1.00 0.00 O ATOM 842 CB PRO A 420 6.295 12.735 0.959 1.00 0.00 C ATOM 843 CG PRO A 420 6.418 13.287 2.338 1.00 0.00 C ATOM 844 CD PRO A 420 6.568 12.099 3.248 1.00 0.00 C ATOM 0 HA PRO A 420 6.788 10.678 0.324 1.00 0.00 H new ATOM 0 HB2 PRO A 420 6.642 13.450 0.214 1.00 0.00 H new ATOM 0 HB3 PRO A 420 5.258 12.501 0.717 1.00 0.00 H new ATOM 0 HG2 PRO A 420 7.279 13.950 2.417 1.00 0.00 H new ATOM 0 HG3 PRO A 420 5.538 13.873 2.604 1.00 0.00 H new ATOM 0 HD2 PRO A 420 7.203 12.326 4.104 1.00 0.00 H new ATOM 0 HD3 PRO A 420 5.606 11.771 3.643 1.00 0.00 H new ATOM 852 N ALA A 421 9.453 12.176 1.343 1.00 0.00 N ATOM 853 CA ALA A 421 10.824 12.500 0.969 1.00 0.00 C ATOM 854 C ALA A 421 11.578 11.256 0.511 1.00 0.00 C ATOM 855 O ALA A 421 12.208 11.254 -0.547 1.00 0.00 O ATOM 856 CB ALA A 421 11.547 13.158 2.135 1.00 0.00 C ATOM 0 H ALA A 421 9.252 12.276 2.338 1.00 0.00 H new ATOM 0 HA ALA A 421 10.791 13.200 0.134 1.00 0.00 H new ATOM 0 HB1 ALA A 421 12.570 13.395 1.842 1.00 0.00 H new ATOM 0 HB2 ALA A 421 11.028 14.075 2.414 1.00 0.00 H new ATOM 0 HB3 ALA A 421 11.562 12.476 2.985 1.00 0.00 H new ATOM 862 N LYS A 422 11.510 10.200 1.314 1.00 0.00 N ATOM 863 CA LYS A 422 12.185 8.948 0.991 1.00 0.00 C ATOM 864 C LYS A 422 11.744 8.428 -0.373 1.00 0.00 C ATOM 865 O LYS A 422 12.568 8.010 -1.186 1.00 0.00 O ATOM 866 CB LYS A 422 11.898 7.898 2.067 1.00 0.00 C ATOM 867 CG LYS A 422 12.778 8.031 3.297 1.00 0.00 C ATOM 868 CD LYS A 422 14.207 7.604 3.009 1.00 0.00 C ATOM 869 CE LYS A 422 15.134 7.940 4.167 1.00 0.00 C ATOM 870 NZ LYS A 422 15.005 6.962 5.283 1.00 0.00 N ATOM 0 H LYS A 422 10.994 10.186 2.194 1.00 0.00 H new ATOM 0 HA LYS A 422 13.257 9.140 0.957 1.00 0.00 H new ATOM 0 HB2 LYS A 422 10.853 7.975 2.368 1.00 0.00 H new ATOM 0 HB3 LYS A 422 12.034 6.905 1.639 1.00 0.00 H new ATOM 0 HG2 LYS A 422 12.769 9.065 3.642 1.00 0.00 H new ATOM 0 HG3 LYS A 422 12.371 7.422 4.104 1.00 0.00 H new ATOM 0 HD2 LYS A 422 14.236 6.531 2.818 1.00 0.00 H new ATOM 0 HD3 LYS A 422 14.560 8.098 2.104 1.00 0.00 H new ATOM 0 HE2 LYS A 422 16.165 7.954 3.814 1.00 0.00 H new ATOM 0 HE3 LYS A 422 14.909 8.941 4.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 422 15.093 7.459 6.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 422 14.076 6.497 5.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 422 15.755 6.246 5.206 1.00 0.00 H new ATOM 884 N VAL A 423 10.437 8.458 -0.619 1.00 0.00 N ATOM 885 CA VAL A 423 9.887 7.991 -1.886 1.00 0.00 C ATOM 886 C VAL A 423 10.630 8.606 -3.067 1.00 0.00 C ATOM 887 O VAL A 423 10.924 7.927 -4.051 1.00 0.00 O ATOM 888 CB VAL A 423 8.389 8.328 -2.005 1.00 0.00 C ATOM 889 CG1 VAL A 423 7.851 7.900 -3.362 1.00 0.00 C ATOM 890 CG2 VAL A 423 7.604 7.670 -0.880 1.00 0.00 C ATOM 0 H VAL A 423 9.740 8.801 0.042 1.00 0.00 H new ATOM 0 HA VAL A 423 10.011 6.908 -1.906 1.00 0.00 H new ATOM 0 HB VAL A 423 8.270 9.408 -1.918 1.00 0.00 H new ATOM 0 HG11 VAL A 423 6.791 8.146 -3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 423 8.394 8.422 -4.150 1.00 0.00 H new ATOM 0 HG13 VAL A 423 7.982 6.825 -3.482 1.00 0.00 H new ATOM 0 HG21 VAL A 423 6.547 7.919 -0.980 1.00 0.00 H new ATOM 0 HG22 VAL A 423 7.729 6.588 -0.933 1.00 0.00 H new ATOM 0 HG23 VAL A 423 7.973 8.031 0.080 1.00 0.00 H new ATOM 900 N LYS A 424 10.932 9.895 -2.963 1.00 0.00 N ATOM 901 CA LYS A 424 11.643 10.603 -4.021 1.00 0.00 C ATOM 902 C LYS A 424 12.955 9.902 -4.358 1.00 0.00 C ATOM 903 O LYS A 424 13.297 9.737 -5.528 1.00 0.00 O ATOM 904 CB LYS A 424 11.917 12.049 -3.601 1.00 0.00 C ATOM 905 CG LYS A 424 12.041 13.009 -4.771 1.00 0.00 C ATOM 906 CD LYS A 424 12.481 14.390 -4.314 1.00 0.00 C ATOM 907 CE LYS A 424 13.179 15.151 -5.432 1.00 0.00 C ATOM 908 NZ LYS A 424 14.005 16.273 -4.907 1.00 0.00 N ATOM 0 H LYS A 424 10.695 10.472 -2.156 1.00 0.00 H new ATOM 0 HA LYS A 424 11.013 10.603 -4.911 1.00 0.00 H new ATOM 0 HB2 LYS A 424 11.113 12.387 -2.948 1.00 0.00 H new ATOM 0 HB3 LYS A 424 12.837 12.081 -3.017 1.00 0.00 H new ATOM 0 HG2 LYS A 424 12.760 12.617 -5.490 1.00 0.00 H new ATOM 0 HG3 LYS A 424 11.083 13.083 -5.285 1.00 0.00 H new ATOM 0 HD2 LYS A 424 11.613 14.955 -3.974 1.00 0.00 H new ATOM 0 HD3 LYS A 424 13.154 14.295 -3.462 1.00 0.00 H new ATOM 0 HE2 LYS A 424 13.812 14.467 -5.997 1.00 0.00 H new ATOM 0 HE3 LYS A 424 12.434 15.542 -6.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 14.464 16.766 -5.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 13.397 16.939 -4.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 14.732 15.898 -4.265 1.00 0.00 H new ATOM 922 N GLU A 425 13.684 9.492 -3.325 1.00 0.00 N ATOM 923 CA GLU A 425 14.958 8.809 -3.513 1.00 0.00 C ATOM 924 C GLU A 425 14.816 7.656 -4.503 1.00 0.00 C ATOM 925 O GLU A 425 15.477 7.631 -5.542 1.00 0.00 O ATOM 926 CB GLU A 425 15.484 8.284 -2.175 1.00 0.00 C ATOM 927 CG GLU A 425 16.856 7.638 -2.271 1.00 0.00 C ATOM 928 CD GLU A 425 17.860 8.509 -3.001 1.00 0.00 C ATOM 929 OE1 GLU A 425 18.481 9.373 -2.348 1.00 0.00 O ATOM 930 OE2 GLU A 425 18.026 8.325 -4.225 1.00 0.00 O ATOM 0 H GLU A 425 13.414 9.621 -2.350 1.00 0.00 H new ATOM 0 HA GLU A 425 15.670 9.528 -3.918 1.00 0.00 H new ATOM 0 HB2 GLU A 425 15.529 9.108 -1.463 1.00 0.00 H new ATOM 0 HB3 GLU A 425 14.777 7.557 -1.776 1.00 0.00 H new ATOM 0 HG2 GLU A 425 17.225 7.427 -1.267 1.00 0.00 H new ATOM 0 HG3 GLU A 425 16.768 6.681 -2.786 1.00 0.00 H new ATOM 937 N PHE A 426 13.950 6.704 -4.173 1.00 0.00 N ATOM 938 CA PHE A 426 13.722 5.548 -5.032 1.00 0.00 C ATOM 939 C PHE A 426 13.406 5.984 -6.460 1.00 0.00 C ATOM 940 O PHE A 426 13.947 5.438 -7.420 1.00 0.00 O ATOM 941 CB PHE A 426 12.576 4.696 -4.482 1.00 0.00 C ATOM 942 CG PHE A 426 12.031 3.710 -5.475 1.00 0.00 C ATOM 943 CD1 PHE A 426 12.715 2.538 -5.756 1.00 0.00 C ATOM 944 CD2 PHE A 426 10.834 3.956 -6.129 1.00 0.00 C ATOM 945 CE1 PHE A 426 12.216 1.629 -6.670 1.00 0.00 C ATOM 946 CE2 PHE A 426 10.330 3.050 -7.044 1.00 0.00 C ATOM 947 CZ PHE A 426 11.023 1.886 -7.315 1.00 0.00 C ATOM 0 H PHE A 426 13.395 6.710 -3.317 1.00 0.00 H new ATOM 0 HA PHE A 426 14.635 4.952 -5.047 1.00 0.00 H new ATOM 0 HB2 PHE A 426 12.925 4.157 -3.601 1.00 0.00 H new ATOM 0 HB3 PHE A 426 11.770 5.353 -4.155 1.00 0.00 H new ATOM 0 HD1 PHE A 426 13.649 2.332 -5.255 1.00 0.00 H new ATOM 0 HD2 PHE A 426 10.289 4.865 -5.922 1.00 0.00 H new ATOM 0 HE1 PHE A 426 12.759 0.719 -6.879 1.00 0.00 H new ATOM 0 HE2 PHE A 426 9.396 3.252 -7.546 1.00 0.00 H new ATOM 0 HZ PHE A 426 10.632 1.178 -8.031 1.00 0.00 H new ATOM 957 N GLU A 427 12.525 6.972 -6.589 1.00 0.00 N ATOM 958 CA GLU A 427 12.136 7.480 -7.899 1.00 0.00 C ATOM 959 C GLU A 427 13.359 7.921 -8.697 1.00 0.00 C ATOM 960 O GLU A 427 13.491 7.603 -9.879 1.00 0.00 O ATOM 961 CB GLU A 427 11.162 8.651 -7.747 1.00 0.00 C ATOM 962 CG GLU A 427 9.723 8.221 -7.524 1.00 0.00 C ATOM 963 CD GLU A 427 8.870 9.324 -6.927 1.00 0.00 C ATOM 964 OE1 GLU A 427 9.154 9.741 -5.785 1.00 0.00 O ATOM 965 OE2 GLU A 427 7.919 9.769 -7.603 1.00 0.00 O ATOM 0 H GLU A 427 12.068 7.435 -5.803 1.00 0.00 H new ATOM 0 HA GLU A 427 11.642 6.674 -8.441 1.00 0.00 H new ATOM 0 HB2 GLU A 427 11.481 9.271 -6.909 1.00 0.00 H new ATOM 0 HB3 GLU A 427 11.212 9.273 -8.641 1.00 0.00 H new ATOM 0 HG2 GLU A 427 9.291 7.906 -8.474 1.00 0.00 H new ATOM 0 HG3 GLU A 427 9.705 7.355 -6.863 1.00 0.00 H new ATOM 972 N SER A 428 14.252 8.657 -8.042 1.00 0.00 N ATOM 973 CA SER A 428 15.463 9.146 -8.690 1.00 0.00 C ATOM 974 C SER A 428 16.214 8.005 -9.370 1.00 0.00 C ATOM 975 O SER A 428 16.632 8.122 -10.523 1.00 0.00 O ATOM 976 CB SER A 428 16.372 9.833 -7.669 1.00 0.00 C ATOM 977 OG SER A 428 17.343 10.640 -8.312 1.00 0.00 O ATOM 0 H SER A 428 14.159 8.928 -7.063 1.00 0.00 H new ATOM 0 HA SER A 428 15.171 9.870 -9.451 1.00 0.00 H new ATOM 0 HB2 SER A 428 15.771 10.447 -6.998 1.00 0.00 H new ATOM 0 HB3 SER A 428 16.868 9.081 -7.055 1.00 0.00 H new ATOM 0 HG SER A 428 17.910 11.069 -7.638 1.00 0.00 H new ATOM 983 N LEU A 429 16.381 6.903 -8.649 1.00 0.00 N ATOM 984 CA LEU A 429 17.082 5.739 -9.181 1.00 0.00 C ATOM 985 C LEU A 429 16.818 5.580 -10.675 1.00 0.00 C ATOM 986 O LEU A 429 17.749 5.441 -11.467 1.00 0.00 O ATOM 987 CB LEU A 429 16.648 4.474 -8.438 1.00 0.00 C ATOM 988 CG LEU A 429 17.693 3.362 -8.338 1.00 0.00 C ATOM 989 CD1 LEU A 429 17.314 2.369 -7.250 1.00 0.00 C ATOM 990 CD2 LEU A 429 17.850 2.656 -9.677 1.00 0.00 C ATOM 0 H LEU A 429 16.041 6.790 -7.694 1.00 0.00 H new ATOM 0 HA LEU A 429 18.151 5.891 -9.034 1.00 0.00 H new ATOM 0 HB2 LEU A 429 16.348 4.755 -7.428 1.00 0.00 H new ATOM 0 HB3 LEU A 429 15.764 4.071 -8.933 1.00 0.00 H new ATOM 0 HG LEU A 429 18.650 3.812 -8.073 1.00 0.00 H new ATOM 0 HD11 LEU A 429 18.069 1.585 -7.194 1.00 0.00 H new ATOM 0 HD12 LEU A 429 17.254 2.885 -6.292 1.00 0.00 H new ATOM 0 HD13 LEU A 429 16.347 1.925 -7.484 1.00 0.00 H new ATOM 0 HD21 LEU A 429 18.598 1.868 -9.587 1.00 0.00 H new ATOM 0 HD22 LEU A 429 16.896 2.219 -9.972 1.00 0.00 H new ATOM 0 HD23 LEU A 429 18.169 3.375 -10.432 1.00 0.00 H new ATOM 1002 N GLN A 430 15.543 5.605 -11.051 1.00 0.00 N ATOM 1003 CA GLN A 430 15.157 5.465 -12.450 1.00 0.00 C ATOM 1004 C GLN A 430 15.938 6.437 -13.330 1.00 0.00 C ATOM 1005 O GLN A 430 15.985 7.637 -13.057 1.00 0.00 O ATOM 1006 CB GLN A 430 13.656 5.705 -12.614 1.00 0.00 C ATOM 1007 CG GLN A 430 12.794 4.687 -11.885 1.00 0.00 C ATOM 1008 CD GLN A 430 12.886 3.302 -12.494 1.00 0.00 C ATOM 1009 OE1 GLN A 430 13.913 2.631 -12.387 1.00 0.00 O ATOM 1010 NE2 GLN A 430 11.810 2.865 -13.139 1.00 0.00 N ATOM 0 H GLN A 430 14.761 5.721 -10.407 1.00 0.00 H new ATOM 0 HA GLN A 430 15.392 4.448 -12.765 1.00 0.00 H new ATOM 0 HB2 GLN A 430 13.414 6.703 -12.248 1.00 0.00 H new ATOM 0 HB3 GLN A 430 13.407 5.686 -13.675 1.00 0.00 H new ATOM 0 HG2 GLN A 430 13.099 4.641 -10.839 1.00 0.00 H new ATOM 0 HG3 GLN A 430 11.756 5.018 -11.900 1.00 0.00 H new ATOM 0 HE21 GLN A 430 10.980 3.454 -13.204 1.00 0.00 H new ATOM 0 HE22 GLN A 430 11.814 1.940 -13.570 1.00 0.00 H new ATOM 1019 N VAL A 431 16.550 5.910 -14.385 1.00 0.00 N ATOM 1020 CA VAL A 431 17.329 6.731 -15.306 1.00 0.00 C ATOM 1021 C VAL A 431 16.513 7.916 -15.810 1.00 0.00 C ATOM 1022 O VAL A 431 15.660 7.769 -16.684 1.00 0.00 O ATOM 1023 CB VAL A 431 17.820 5.909 -16.512 1.00 0.00 C ATOM 1024 CG1 VAL A 431 18.583 6.794 -17.486 1.00 0.00 C ATOM 1025 CG2 VAL A 431 18.682 4.745 -16.048 1.00 0.00 C ATOM 0 H VAL A 431 16.522 4.919 -14.624 1.00 0.00 H new ATOM 0 HA VAL A 431 18.192 7.098 -14.751 1.00 0.00 H new ATOM 0 HB VAL A 431 16.952 5.503 -17.031 1.00 0.00 H new ATOM 0 HG11 VAL A 431 18.922 6.196 -18.332 1.00 0.00 H new ATOM 0 HG12 VAL A 431 17.929 7.590 -17.843 1.00 0.00 H new ATOM 0 HG13 VAL A 431 19.445 7.231 -16.982 1.00 0.00 H new ATOM 0 HG21 VAL A 431 19.020 4.175 -16.913 1.00 0.00 H new ATOM 0 HG22 VAL A 431 19.546 5.126 -15.504 1.00 0.00 H new ATOM 0 HG23 VAL A 431 18.098 4.098 -15.393 1.00 0.00 H new TER 1035 VAL A 431