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 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 19:sc= 0.402 USER MOD Single : A 371 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 374 TYR OH : rot 180:sc= 0 USER MOD Single : A 385 HIS : no HD1:sc= -4.86! C(o=-4.9!,f=-9.6!) USER MOD Single : A 386 THR OG1 : rot -2:sc= 1.04 USER MOD Single : A 387 LYS NZ :NH3+ 151:sc= -0.297 (180deg=-1.41!) USER MOD Single : A 391 THR OG1 : rot -170:sc= -0.103 USER MOD Single : A 396 THR OG1 : rot 180:sc= 0 USER MOD Single : A 397 HIS : no HD1:sc= -2.82 X(o=-2.8,f=-2.6!) USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 401 LYS NZ :NH3+ -137:sc= 1.34 (180deg=-0.554) 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 48:sc= 1.08 USER MOD Single : A 411 THR OG1 : rot 180:sc= -0.277 USER MOD Single : A 422 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -1.86! K(o=-1.9!,f=-2.6) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 364 21.532 21.024 7.424 1.00 0.00 N ATOM 2 CA GLY A 364 22.538 22.068 7.370 1.00 0.00 C ATOM 3 C GLY A 364 23.236 22.271 8.701 1.00 0.00 C ATOM 4 O GLY A 364 24.464 22.324 8.764 1.00 0.00 O ATOM 0 HA2 GLY A 364 23.278 21.816 6.610 1.00 0.00 H new ATOM 0 HA3 GLY A 364 22.070 23.003 7.062 1.00 0.00 H new ATOM 8 N SER A 365 22.451 22.386 9.767 1.00 0.00 N ATOM 9 CA SER A 365 23.000 22.589 11.103 1.00 0.00 C ATOM 10 C SER A 365 22.601 21.449 12.034 1.00 0.00 C ATOM 11 O SER A 365 21.817 20.575 11.663 1.00 0.00 O ATOM 12 CB SER A 365 22.520 23.923 11.677 1.00 0.00 C ATOM 13 OG SER A 365 21.140 23.875 11.995 1.00 0.00 O ATOM 0 H SER A 365 21.433 22.342 9.732 1.00 0.00 H new ATOM 0 HA SER A 365 24.087 22.606 11.023 1.00 0.00 H new ATOM 0 HB2 SER A 365 23.094 24.165 12.571 1.00 0.00 H new ATOM 0 HB3 SER A 365 22.703 24.719 10.956 1.00 0.00 H new ATOM 0 HG SER A 365 20.859 24.739 12.362 1.00 0.00 H new ATOM 19 N SER A 366 23.146 21.464 13.246 1.00 0.00 N ATOM 20 CA SER A 366 22.851 20.430 14.231 1.00 0.00 C ATOM 21 C SER A 366 21.620 20.799 15.054 1.00 0.00 C ATOM 22 O SER A 366 21.256 21.970 15.156 1.00 0.00 O ATOM 23 CB SER A 366 24.051 20.218 15.155 1.00 0.00 C ATOM 24 OG SER A 366 23.840 19.117 16.021 1.00 0.00 O ATOM 0 H SER A 366 23.795 22.181 13.570 1.00 0.00 H new ATOM 0 HA SER A 366 22.645 19.503 13.697 1.00 0.00 H new ATOM 0 HB2 SER A 366 24.948 20.049 14.559 1.00 0.00 H new ATOM 0 HB3 SER A 366 24.225 21.119 15.743 1.00 0.00 H new ATOM 0 HG SER A 366 24.622 19.002 16.600 1.00 0.00 H new ATOM 30 N GLY A 367 20.983 19.790 15.640 1.00 0.00 N ATOM 31 CA GLY A 367 19.801 20.027 16.447 1.00 0.00 C ATOM 32 C GLY A 367 19.806 19.226 17.734 1.00 0.00 C ATOM 33 O GLY A 367 20.865 18.842 18.230 1.00 0.00 O ATOM 0 H GLY A 367 21.265 18.812 15.570 1.00 0.00 H new ATOM 0 HA2 GLY A 367 19.734 21.089 16.684 1.00 0.00 H new ATOM 0 HA3 GLY A 367 18.913 19.773 15.868 1.00 0.00 H new ATOM 37 N SER A 368 18.619 18.974 18.277 1.00 0.00 N ATOM 38 CA SER A 368 18.492 18.218 19.517 1.00 0.00 C ATOM 39 C SER A 368 17.886 16.842 19.255 1.00 0.00 C ATOM 40 O SER A 368 17.496 16.528 18.130 1.00 0.00 O ATOM 41 CB SER A 368 17.628 18.985 20.520 1.00 0.00 C ATOM 42 OG SER A 368 16.357 19.289 19.972 1.00 0.00 O ATOM 0 H SER A 368 17.732 19.282 17.878 1.00 0.00 H new ATOM 0 HA SER A 368 19.490 18.083 19.935 1.00 0.00 H new ATOM 0 HB2 SER A 368 17.504 18.392 21.426 1.00 0.00 H new ATOM 0 HB3 SER A 368 18.133 19.907 20.809 1.00 0.00 H new ATOM 0 HG SER A 368 15.824 19.778 20.633 1.00 0.00 H new ATOM 48 N SER A 369 17.810 16.026 20.301 1.00 0.00 N ATOM 49 CA SER A 369 17.256 14.683 20.185 1.00 0.00 C ATOM 50 C SER A 369 16.193 14.439 21.252 1.00 0.00 C ATOM 51 O SER A 369 16.445 14.607 22.445 1.00 0.00 O ATOM 52 CB SER A 369 18.366 13.638 20.307 1.00 0.00 C ATOM 53 OG SER A 369 18.945 13.657 21.600 1.00 0.00 O ATOM 0 H SER A 369 18.126 16.272 21.239 1.00 0.00 H new ATOM 0 HA SER A 369 16.789 14.594 19.204 1.00 0.00 H new ATOM 0 HB2 SER A 369 17.961 12.647 20.101 1.00 0.00 H new ATOM 0 HB3 SER A 369 19.134 13.830 19.558 1.00 0.00 H new ATOM 0 HG SER A 369 18.339 14.110 22.223 1.00 0.00 H new ATOM 59 N GLY A 370 15.003 14.042 20.814 1.00 0.00 N ATOM 60 CA GLY A 370 13.919 13.782 21.743 1.00 0.00 C ATOM 61 C GLY A 370 12.570 13.712 21.056 1.00 0.00 C ATOM 62 O GLY A 370 11.664 14.481 21.374 1.00 0.00 O ATOM 0 H GLY A 370 14.770 13.896 19.832 1.00 0.00 H new ATOM 0 HA2 GLY A 370 14.108 12.843 22.263 1.00 0.00 H new ATOM 0 HA3 GLY A 370 13.897 14.566 22.500 1.00 0.00 H new ATOM 66 N ASN A 371 12.436 12.789 20.109 1.00 0.00 N ATOM 67 CA ASN A 371 11.188 12.624 19.373 1.00 0.00 C ATOM 68 C ASN A 371 10.586 11.245 19.625 1.00 0.00 C ATOM 69 O ASN A 371 11.277 10.227 19.608 1.00 0.00 O ATOM 70 CB ASN A 371 11.425 12.823 17.874 1.00 0.00 C ATOM 71 CG ASN A 371 12.137 14.127 17.570 1.00 0.00 C ATOM 72 OD1 ASN A 371 13.273 14.131 17.094 1.00 0.00 O ATOM 73 ND2 ASN A 371 11.471 15.243 17.844 1.00 0.00 N ATOM 0 H ASN A 371 13.176 12.144 19.833 1.00 0.00 H new ATOM 0 HA ASN A 371 10.485 13.378 19.726 1.00 0.00 H new ATOM 0 HB2 ASN A 371 12.015 11.991 17.489 1.00 0.00 H new ATOM 0 HB3 ASN A 371 10.468 12.804 17.352 1.00 0.00 H new ATOM 0 HD21 ASN A 371 11.899 16.150 17.661 1.00 0.00 H new ATOM 0 HD22 ASN A 371 10.531 15.193 18.238 1.00 0.00 H new ATOM 80 N PRO A 372 9.266 11.211 19.863 1.00 0.00 N ATOM 81 CA PRO A 372 8.541 9.963 20.122 1.00 0.00 C ATOM 82 C PRO A 372 8.439 9.084 18.881 1.00 0.00 C ATOM 83 O PRO A 372 7.444 9.128 18.158 1.00 0.00 O ATOM 84 CB PRO A 372 7.153 10.443 20.554 1.00 0.00 C ATOM 85 CG PRO A 372 7.003 11.784 19.923 1.00 0.00 C ATOM 86 CD PRO A 372 8.381 12.386 19.898 1.00 0.00 C ATOM 0 HA PRO A 372 9.044 9.346 20.866 1.00 0.00 H new ATOM 0 HB2 PRO A 372 6.375 9.758 20.218 1.00 0.00 H new ATOM 0 HB3 PRO A 372 7.076 10.505 21.639 1.00 0.00 H new ATOM 0 HG2 PRO A 372 6.596 11.698 18.915 1.00 0.00 H new ATOM 0 HG3 PRO A 372 6.315 12.408 20.492 1.00 0.00 H new ATOM 0 HD2 PRO A 372 8.525 13.024 19.026 1.00 0.00 H new ATOM 0 HD3 PRO A 372 8.566 13.002 20.778 1.00 0.00 H new ATOM 94 N ASP A 373 9.474 8.286 18.640 1.00 0.00 N ATOM 95 CA ASP A 373 9.500 7.394 17.486 1.00 0.00 C ATOM 96 C ASP A 373 10.683 6.436 17.566 1.00 0.00 C ATOM 97 O ASP A 373 11.839 6.852 17.483 1.00 0.00 O ATOM 98 CB ASP A 373 9.570 8.204 16.191 1.00 0.00 C ATOM 99 CG ASP A 373 8.937 7.479 15.019 1.00 0.00 C ATOM 100 OD1 ASP A 373 8.034 6.648 15.253 1.00 0.00 O ATOM 101 OD2 ASP A 373 9.344 7.743 13.869 1.00 0.00 O ATOM 0 H ASP A 373 10.306 8.239 19.228 1.00 0.00 H new ATOM 0 HA ASP A 373 8.581 6.808 17.490 1.00 0.00 H new ATOM 0 HB2 ASP A 373 9.068 9.161 16.337 1.00 0.00 H new ATOM 0 HB3 ASP A 373 10.612 8.423 15.959 1.00 0.00 H new ATOM 106 N TYR A 374 10.388 5.151 17.729 1.00 0.00 N ATOM 107 CA TYR A 374 11.428 4.133 17.825 1.00 0.00 C ATOM 108 C TYR A 374 11.725 3.528 16.456 1.00 0.00 C ATOM 109 O TYR A 374 12.880 3.274 16.114 1.00 0.00 O ATOM 110 CB TYR A 374 11.006 3.033 18.800 1.00 0.00 C ATOM 111 CG TYR A 374 10.054 2.024 18.200 1.00 0.00 C ATOM 112 CD1 TYR A 374 10.512 1.029 17.346 1.00 0.00 C ATOM 113 CD2 TYR A 374 8.695 2.065 18.489 1.00 0.00 C ATOM 114 CE1 TYR A 374 9.645 0.106 16.795 1.00 0.00 C ATOM 115 CE2 TYR A 374 7.821 1.145 17.943 1.00 0.00 C ATOM 116 CZ TYR A 374 8.300 0.168 17.097 1.00 0.00 C ATOM 117 OH TYR A 374 7.434 -0.751 16.551 1.00 0.00 O ATOM 0 H TYR A 374 9.437 4.789 17.797 1.00 0.00 H new ATOM 0 HA TYR A 374 12.335 4.610 18.197 1.00 0.00 H new ATOM 0 HB2 TYR A 374 11.896 2.514 19.156 1.00 0.00 H new ATOM 0 HB3 TYR A 374 10.535 3.491 19.670 1.00 0.00 H new ATOM 0 HD1 TYR A 374 11.564 0.976 17.109 1.00 0.00 H new ATOM 0 HD2 TYR A 374 8.316 2.829 19.152 1.00 0.00 H new ATOM 0 HE1 TYR A 374 10.018 -0.660 16.131 1.00 0.00 H new ATOM 0 HE2 TYR A 374 6.768 1.191 18.178 1.00 0.00 H new ATOM 0 HH TYR A 374 6.524 -0.569 16.865 1.00 0.00 H new ATOM 127 N VAL A 375 10.673 3.301 15.676 1.00 0.00 N ATOM 128 CA VAL A 375 10.819 2.728 14.343 1.00 0.00 C ATOM 129 C VAL A 375 11.930 3.424 13.564 1.00 0.00 C ATOM 130 O VAL A 375 12.093 4.640 13.651 1.00 0.00 O ATOM 131 CB VAL A 375 9.507 2.826 13.543 1.00 0.00 C ATOM 132 CG1 VAL A 375 8.462 1.879 14.113 1.00 0.00 C ATOM 133 CG2 VAL A 375 8.993 4.257 13.536 1.00 0.00 C ATOM 0 H VAL A 375 9.710 3.505 15.944 1.00 0.00 H new ATOM 0 HA VAL A 375 11.076 1.677 14.477 1.00 0.00 H new ATOM 0 HB VAL A 375 9.707 2.531 12.513 1.00 0.00 H new ATOM 0 HG11 VAL A 375 7.542 1.962 13.535 1.00 0.00 H new ATOM 0 HG12 VAL A 375 8.832 0.855 14.061 1.00 0.00 H new ATOM 0 HG13 VAL A 375 8.262 2.140 15.152 1.00 0.00 H new ATOM 0 HG21 VAL A 375 8.065 4.308 12.966 1.00 0.00 H new ATOM 0 HG22 VAL A 375 8.808 4.582 14.560 1.00 0.00 H new ATOM 0 HG23 VAL A 375 9.737 4.908 13.077 1.00 0.00 H new ATOM 143 N GLU A 376 12.690 2.643 12.803 1.00 0.00 N ATOM 144 CA GLU A 376 13.786 3.186 12.008 1.00 0.00 C ATOM 145 C GLU A 376 13.729 2.664 10.575 1.00 0.00 C ATOM 146 O GLU A 376 13.240 1.563 10.322 1.00 0.00 O ATOM 147 CB GLU A 376 15.131 2.825 12.641 1.00 0.00 C ATOM 148 CG GLU A 376 15.485 3.678 13.847 1.00 0.00 C ATOM 149 CD GLU A 376 15.785 5.118 13.475 1.00 0.00 C ATOM 150 OE1 GLU A 376 16.856 5.368 12.885 1.00 0.00 O ATOM 151 OE2 GLU A 376 14.947 5.994 13.775 1.00 0.00 O ATOM 0 H GLU A 376 12.568 1.634 12.720 1.00 0.00 H new ATOM 0 HA GLU A 376 13.683 4.271 11.985 1.00 0.00 H new ATOM 0 HB2 GLU A 376 15.112 1.777 12.941 1.00 0.00 H new ATOM 0 HB3 GLU A 376 15.915 2.928 11.891 1.00 0.00 H new ATOM 0 HG2 GLU A 376 14.660 3.655 14.559 1.00 0.00 H new ATOM 0 HG3 GLU A 376 16.352 3.248 14.350 1.00 0.00 H new ATOM 158 N VAL A 377 14.232 3.464 9.640 1.00 0.00 N ATOM 159 CA VAL A 377 14.240 3.084 8.233 1.00 0.00 C ATOM 160 C VAL A 377 15.606 3.333 7.604 1.00 0.00 C ATOM 161 O VAL A 377 16.187 4.408 7.761 1.00 0.00 O ATOM 162 CB VAL A 377 13.172 3.858 7.437 1.00 0.00 C ATOM 163 CG1 VAL A 377 13.307 3.576 5.948 1.00 0.00 C ATOM 164 CG2 VAL A 377 11.778 3.502 7.931 1.00 0.00 C ATOM 0 H VAL A 377 14.639 4.379 9.832 1.00 0.00 H new ATOM 0 HA VAL A 377 14.013 2.019 8.192 1.00 0.00 H new ATOM 0 HB VAL A 377 13.328 4.925 7.596 1.00 0.00 H new ATOM 0 HG11 VAL A 377 12.544 4.131 5.402 1.00 0.00 H new ATOM 0 HG12 VAL A 377 14.295 3.885 5.607 1.00 0.00 H new ATOM 0 HG13 VAL A 377 13.178 2.509 5.767 1.00 0.00 H new ATOM 0 HG21 VAL A 377 11.036 4.058 7.358 1.00 0.00 H new ATOM 0 HG22 VAL A 377 11.609 2.433 7.803 1.00 0.00 H new ATOM 0 HG23 VAL A 377 11.689 3.760 8.986 1.00 0.00 H new ATOM 174 N ASP A 378 16.114 2.334 6.891 1.00 0.00 N ATOM 175 CA ASP A 378 17.412 2.445 6.236 1.00 0.00 C ATOM 176 C ASP A 378 17.260 2.981 4.815 1.00 0.00 C ATOM 177 O ASP A 378 17.943 3.927 4.422 1.00 0.00 O ATOM 178 CB ASP A 378 18.112 1.085 6.209 1.00 0.00 C ATOM 179 CG ASP A 378 19.527 1.172 5.673 1.00 0.00 C ATOM 180 OD1 ASP A 378 20.238 2.135 6.031 1.00 0.00 O ATOM 181 OD2 ASP A 378 19.924 0.279 4.895 1.00 0.00 O ATOM 0 H ASP A 378 15.647 1.438 6.752 1.00 0.00 H new ATOM 0 HA ASP A 378 18.020 3.147 6.807 1.00 0.00 H new ATOM 0 HB2 ASP A 378 18.133 0.671 7.217 1.00 0.00 H new ATOM 0 HB3 ASP A 378 17.535 0.395 5.593 1.00 0.00 H new ATOM 186 N ARG A 379 16.363 2.369 4.051 1.00 0.00 N ATOM 187 CA ARG A 379 16.123 2.783 2.673 1.00 0.00 C ATOM 188 C ARG A 379 14.963 2.000 2.064 1.00 0.00 C ATOM 189 O ARG A 379 14.406 1.103 2.698 1.00 0.00 O ATOM 190 CB ARG A 379 17.385 2.584 1.832 1.00 0.00 C ATOM 191 CG ARG A 379 17.671 1.129 1.497 1.00 0.00 C ATOM 192 CD ARG A 379 18.509 1.002 0.235 1.00 0.00 C ATOM 193 NE ARG A 379 19.872 1.488 0.432 1.00 0.00 N ATOM 194 CZ ARG A 379 20.815 1.432 -0.502 1.00 0.00 C ATOM 195 NH1 ARG A 379 20.544 0.914 -1.692 1.00 0.00 N ATOM 196 NH2 ARG A 379 22.032 1.896 -0.247 1.00 0.00 N ATOM 0 H ARG A 379 15.790 1.585 4.362 1.00 0.00 H new ATOM 0 HA ARG A 379 15.861 3.841 2.678 1.00 0.00 H new ATOM 0 HB2 ARG A 379 17.286 3.149 0.905 1.00 0.00 H new ATOM 0 HB3 ARG A 379 18.238 2.999 2.369 1.00 0.00 H new ATOM 0 HG2 ARG A 379 18.193 0.659 2.330 1.00 0.00 H new ATOM 0 HG3 ARG A 379 16.731 0.593 1.366 1.00 0.00 H new ATOM 0 HD2 ARG A 379 18.538 -0.042 -0.077 1.00 0.00 H new ATOM 0 HD3 ARG A 379 18.037 1.563 -0.572 1.00 0.00 H new ATOM 0 HE ARG A 379 20.113 1.893 1.337 1.00 0.00 H new ATOM 0 HH11 ARG A 379 19.610 0.557 -1.892 1.00 0.00 H new ATOM 0 HH12 ARG A 379 21.270 0.872 -2.407 1.00 0.00 H new ATOM 0 HH21 ARG A 379 22.244 2.296 0.667 1.00 0.00 H new ATOM 0 HH22 ARG A 379 22.755 1.852 -0.965 1.00 0.00 H new ATOM 210 N ILE A 380 14.606 2.345 0.832 1.00 0.00 N ATOM 211 CA ILE A 380 13.514 1.675 0.138 1.00 0.00 C ATOM 212 C ILE A 380 14.043 0.718 -0.925 1.00 0.00 C ATOM 213 O ILE A 380 14.942 1.062 -1.694 1.00 0.00 O ATOM 214 CB ILE A 380 12.563 2.687 -0.527 1.00 0.00 C ATOM 215 CG1 ILE A 380 11.970 3.629 0.524 1.00 0.00 C ATOM 216 CG2 ILE A 380 11.457 1.962 -1.279 1.00 0.00 C ATOM 217 CD1 ILE A 380 11.354 4.879 -0.064 1.00 0.00 C ATOM 0 H ILE A 380 15.057 3.085 0.294 1.00 0.00 H new ATOM 0 HA ILE A 380 12.962 1.111 0.890 1.00 0.00 H new ATOM 0 HB ILE A 380 13.132 3.281 -1.242 1.00 0.00 H new ATOM 0 HG12 ILE A 380 11.211 3.093 1.094 1.00 0.00 H new ATOM 0 HG13 ILE A 380 12.753 3.915 1.227 1.00 0.00 H new ATOM 0 HG21 ILE A 380 10.794 2.692 -1.743 1.00 0.00 H new ATOM 0 HG22 ILE A 380 11.896 1.329 -2.050 1.00 0.00 H new ATOM 0 HG23 ILE A 380 10.888 1.345 -0.583 1.00 0.00 H new ATOM 0 HD11 ILE A 380 10.954 5.499 0.738 1.00 0.00 H new ATOM 0 HD12 ILE A 380 12.115 5.437 -0.610 1.00 0.00 H new ATOM 0 HD13 ILE A 380 10.549 4.602 -0.745 1.00 0.00 H new ATOM 229 N LEU A 381 13.479 -0.484 -0.965 1.00 0.00 N ATOM 230 CA LEU A 381 13.892 -1.491 -1.936 1.00 0.00 C ATOM 231 C LEU A 381 13.104 -1.352 -3.235 1.00 0.00 C ATOM 232 O LEU A 381 13.629 -0.884 -4.244 1.00 0.00 O ATOM 233 CB LEU A 381 13.701 -2.894 -1.358 1.00 0.00 C ATOM 234 CG LEU A 381 14.778 -3.371 -0.383 1.00 0.00 C ATOM 235 CD1 LEU A 381 14.255 -4.512 0.475 1.00 0.00 C ATOM 236 CD2 LEU A 381 16.029 -3.798 -1.137 1.00 0.00 C ATOM 0 H LEU A 381 12.734 -0.785 -0.336 1.00 0.00 H new ATOM 0 HA LEU A 381 14.948 -1.336 -2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 381 12.738 -2.927 -0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 381 13.649 -3.602 -2.185 1.00 0.00 H new ATOM 0 HG LEU A 381 15.039 -2.541 0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 381 15.036 -4.838 1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 381 13.389 -4.172 1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 381 13.964 -5.345 -0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 381 16.785 -4.134 -0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 381 15.783 -4.613 -1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 381 16.417 -2.953 -1.706 1.00 0.00 H new ATOM 248 N GLU A 382 11.839 -1.760 -3.199 1.00 0.00 N ATOM 249 CA GLU A 382 10.978 -1.679 -4.373 1.00 0.00 C ATOM 250 C GLU A 382 9.571 -1.231 -3.987 1.00 0.00 C ATOM 251 O GLU A 382 9.228 -1.173 -2.806 1.00 0.00 O ATOM 252 CB GLU A 382 10.916 -3.034 -5.082 1.00 0.00 C ATOM 253 CG GLU A 382 12.017 -3.232 -6.111 1.00 0.00 C ATOM 254 CD GLU A 382 12.172 -4.682 -6.527 1.00 0.00 C ATOM 255 OE1 GLU A 382 11.167 -5.285 -6.962 1.00 0.00 O ATOM 256 OE2 GLU A 382 13.296 -5.215 -6.418 1.00 0.00 O ATOM 0 H GLU A 382 11.388 -2.149 -2.371 1.00 0.00 H new ATOM 0 HA GLU A 382 11.403 -0.940 -5.052 1.00 0.00 H new ATOM 0 HB2 GLU A 382 10.979 -3.828 -4.337 1.00 0.00 H new ATOM 0 HB3 GLU A 382 9.948 -3.134 -5.574 1.00 0.00 H new ATOM 0 HG2 GLU A 382 11.800 -2.627 -6.991 1.00 0.00 H new ATOM 0 HG3 GLU A 382 12.961 -2.872 -5.702 1.00 0.00 H new ATOM 263 N VAL A 383 8.760 -0.914 -4.991 1.00 0.00 N ATOM 264 CA VAL A 383 7.391 -0.472 -4.758 1.00 0.00 C ATOM 265 C VAL A 383 6.391 -1.384 -5.460 1.00 0.00 C ATOM 266 O VAL A 383 6.615 -1.814 -6.591 1.00 0.00 O ATOM 267 CB VAL A 383 7.178 0.974 -5.243 1.00 0.00 C ATOM 268 CG1 VAL A 383 7.310 1.055 -6.756 1.00 0.00 C ATOM 269 CG2 VAL A 383 5.822 1.494 -4.790 1.00 0.00 C ATOM 0 H VAL A 383 9.028 -0.955 -5.974 1.00 0.00 H new ATOM 0 HA VAL A 383 7.224 -0.515 -3.682 1.00 0.00 H new ATOM 0 HB VAL A 383 7.950 1.604 -4.800 1.00 0.00 H new ATOM 0 HG11 VAL A 383 7.156 2.084 -7.080 1.00 0.00 H new ATOM 0 HG12 VAL A 383 8.306 0.726 -7.052 1.00 0.00 H new ATOM 0 HG13 VAL A 383 6.562 0.413 -7.221 1.00 0.00 H new ATOM 0 HG21 VAL A 383 5.689 2.517 -5.142 1.00 0.00 H new ATOM 0 HG22 VAL A 383 5.034 0.863 -5.202 1.00 0.00 H new ATOM 0 HG23 VAL A 383 5.770 1.475 -3.701 1.00 0.00 H new ATOM 279 N ALA A 384 5.287 -1.676 -4.781 1.00 0.00 N ATOM 280 CA ALA A 384 4.251 -2.536 -5.340 1.00 0.00 C ATOM 281 C ALA A 384 2.869 -1.916 -5.164 1.00 0.00 C ATOM 282 O ALA A 384 2.640 -1.139 -4.237 1.00 0.00 O ATOM 283 CB ALA A 384 4.301 -3.912 -4.693 1.00 0.00 C ATOM 0 H ALA A 384 5.087 -1.330 -3.843 1.00 0.00 H new ATOM 0 HA ALA A 384 4.439 -2.642 -6.408 1.00 0.00 H new ATOM 0 HB1 ALA A 384 3.522 -4.543 -5.120 1.00 0.00 H new ATOM 0 HB2 ALA A 384 5.276 -4.365 -4.876 1.00 0.00 H new ATOM 0 HB3 ALA A 384 4.141 -3.815 -3.619 1.00 0.00 H new ATOM 289 N HIS A 385 1.951 -2.264 -6.060 1.00 0.00 N ATOM 290 CA HIS A 385 0.590 -1.741 -6.003 1.00 0.00 C ATOM 291 C HIS A 385 -0.427 -2.877 -5.943 1.00 0.00 C ATOM 292 O HIS A 385 -0.327 -3.854 -6.686 1.00 0.00 O ATOM 293 CB HIS A 385 0.311 -0.855 -7.217 1.00 0.00 C ATOM 294 CG HIS A 385 1.441 0.066 -7.559 1.00 0.00 C ATOM 295 ND1 HIS A 385 2.407 0.443 -6.649 1.00 0.00 N ATOM 296 CD2 HIS A 385 1.758 0.687 -8.719 1.00 0.00 C ATOM 297 CE1 HIS A 385 3.268 1.256 -7.235 1.00 0.00 C ATOM 298 NE2 HIS A 385 2.897 1.420 -8.492 1.00 0.00 N ATOM 0 H HIS A 385 2.124 -2.905 -6.834 1.00 0.00 H new ATOM 0 HA HIS A 385 0.494 -1.143 -5.096 1.00 0.00 H new ATOM 0 HB2 HIS A 385 0.097 -1.489 -8.077 1.00 0.00 H new ATOM 0 HB3 HIS A 385 -0.584 -0.263 -7.026 1.00 0.00 H new ATOM 0 HD2 HIS A 385 1.216 0.619 -9.651 1.00 0.00 H new ATOM 0 HE1 HIS A 385 4.129 1.709 -6.766 1.00 0.00 H new ATOM 0 HE2 HIS A 385 3.378 1.997 -9.182 1.00 0.00 H new ATOM 306 N THR A 386 -1.405 -2.743 -5.053 1.00 0.00 N ATOM 307 CA THR A 386 -2.438 -3.758 -4.894 1.00 0.00 C ATOM 308 C THR A 386 -3.817 -3.122 -4.752 1.00 0.00 C ATOM 309 O THR A 386 -3.942 -1.980 -4.311 1.00 0.00 O ATOM 310 CB THR A 386 -2.168 -4.649 -3.667 1.00 0.00 C ATOM 311 OG1 THR A 386 -1.967 -3.835 -2.506 1.00 0.00 O ATOM 312 CG2 THR A 386 -0.946 -5.527 -3.894 1.00 0.00 C ATOM 0 H THR A 386 -1.503 -1.941 -4.431 1.00 0.00 H new ATOM 0 HA THR A 386 -2.415 -4.374 -5.793 1.00 0.00 H new ATOM 0 HB THR A 386 -3.035 -5.292 -3.515 1.00 0.00 H new ATOM 0 HG1 THR A 386 -2.006 -2.889 -2.759 1.00 0.00 H new ATOM 0 HG21 THR A 386 -0.775 -6.147 -3.014 1.00 0.00 H new ATOM 0 HG22 THR A 386 -1.113 -6.166 -4.761 1.00 0.00 H new ATOM 0 HG23 THR A 386 -0.073 -4.898 -4.069 1.00 0.00 H new ATOM 320 N LYS A 387 -4.849 -3.869 -5.128 1.00 0.00 N ATOM 321 CA LYS A 387 -6.220 -3.380 -5.041 1.00 0.00 C ATOM 322 C LYS A 387 -7.047 -4.245 -4.096 1.00 0.00 C ATOM 323 O LYS A 387 -6.798 -5.443 -3.956 1.00 0.00 O ATOM 324 CB LYS A 387 -6.865 -3.361 -6.429 1.00 0.00 C ATOM 325 CG LYS A 387 -7.314 -4.730 -6.910 1.00 0.00 C ATOM 326 CD LYS A 387 -7.908 -4.663 -8.307 1.00 0.00 C ATOM 327 CE LYS A 387 -9.393 -4.337 -8.265 1.00 0.00 C ATOM 328 NZ LYS A 387 -9.637 -2.871 -8.174 1.00 0.00 N ATOM 0 H LYS A 387 -4.762 -4.816 -5.496 1.00 0.00 H new ATOM 0 HA LYS A 387 -6.193 -2.365 -4.646 1.00 0.00 H new ATOM 0 HB2 LYS A 387 -7.725 -2.691 -6.412 1.00 0.00 H new ATOM 0 HB3 LYS A 387 -6.154 -2.949 -7.145 1.00 0.00 H new ATOM 0 HG2 LYS A 387 -6.465 -5.414 -6.907 1.00 0.00 H new ATOM 0 HG3 LYS A 387 -8.053 -5.135 -6.219 1.00 0.00 H new ATOM 0 HD2 LYS A 387 -7.384 -3.906 -8.890 1.00 0.00 H new ATOM 0 HD3 LYS A 387 -7.758 -5.616 -8.814 1.00 0.00 H new ATOM 0 HE2 LYS A 387 -9.877 -4.731 -9.159 1.00 0.00 H new ATOM 0 HE3 LYS A 387 -9.850 -4.835 -7.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 387 -10.547 -2.642 -8.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 387 -9.662 -2.585 -7.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 387 -8.873 -2.361 -8.661 1.00 0.00 H new ATOM 342 N ASP A 388 -8.033 -3.632 -3.451 1.00 0.00 N ATOM 343 CA ASP A 388 -8.900 -4.347 -2.520 1.00 0.00 C ATOM 344 C ASP A 388 -9.904 -5.215 -3.271 1.00 0.00 C ATOM 345 O ASP A 388 -9.992 -5.160 -4.498 1.00 0.00 O ATOM 346 CB ASP A 388 -9.637 -3.359 -1.615 1.00 0.00 C ATOM 347 CG ASP A 388 -8.760 -2.834 -0.496 1.00 0.00 C ATOM 348 OD1 ASP A 388 -8.061 -3.648 0.143 1.00 0.00 O ATOM 349 OD2 ASP A 388 -8.771 -1.608 -0.259 1.00 0.00 O ATOM 0 H ASP A 388 -8.252 -2.641 -3.555 1.00 0.00 H new ATOM 0 HA ASP A 388 -8.276 -4.995 -1.905 1.00 0.00 H new ATOM 0 HB2 ASP A 388 -9.998 -2.522 -2.213 1.00 0.00 H new ATOM 0 HB3 ASP A 388 -10.513 -3.846 -1.188 1.00 0.00 H new ATOM 354 N ALA A 389 -10.659 -6.016 -2.527 1.00 0.00 N ATOM 355 CA ALA A 389 -11.658 -6.895 -3.122 1.00 0.00 C ATOM 356 C ALA A 389 -13.059 -6.310 -2.980 1.00 0.00 C ATOM 357 O ALA A 389 -13.772 -6.138 -3.968 1.00 0.00 O ATOM 358 CB ALA A 389 -11.593 -8.276 -2.485 1.00 0.00 C ATOM 0 H ALA A 389 -10.598 -6.074 -1.511 1.00 0.00 H new ATOM 0 HA ALA A 389 -11.437 -6.987 -4.186 1.00 0.00 H new ATOM 0 HB1 ALA A 389 -12.345 -8.922 -2.939 1.00 0.00 H new ATOM 0 HB2 ALA A 389 -10.603 -8.704 -2.644 1.00 0.00 H new ATOM 0 HB3 ALA A 389 -11.785 -8.193 -1.415 1.00 0.00 H new ATOM 364 N GLU A 390 -13.447 -6.008 -1.745 1.00 0.00 N ATOM 365 CA GLU A 390 -14.764 -5.443 -1.475 1.00 0.00 C ATOM 366 C GLU A 390 -15.054 -4.270 -2.407 1.00 0.00 C ATOM 367 O GLU A 390 -16.065 -4.255 -3.110 1.00 0.00 O ATOM 368 CB GLU A 390 -14.859 -4.988 -0.018 1.00 0.00 C ATOM 369 CG GLU A 390 -15.086 -6.126 0.962 1.00 0.00 C ATOM 370 CD GLU A 390 -15.029 -5.672 2.408 1.00 0.00 C ATOM 371 OE1 GLU A 390 -14.093 -4.924 2.759 1.00 0.00 O ATOM 372 OE2 GLU A 390 -15.921 -6.065 3.188 1.00 0.00 O ATOM 0 H GLU A 390 -12.869 -6.145 -0.916 1.00 0.00 H new ATOM 0 HA GLU A 390 -15.508 -6.219 -1.654 1.00 0.00 H new ATOM 0 HB2 GLU A 390 -13.941 -4.466 0.251 1.00 0.00 H new ATOM 0 HB3 GLU A 390 -15.674 -4.270 0.077 1.00 0.00 H new ATOM 0 HG2 GLU A 390 -16.057 -6.581 0.766 1.00 0.00 H new ATOM 0 HG3 GLU A 390 -14.334 -6.897 0.798 1.00 0.00 H new ATOM 379 N THR A 391 -14.160 -3.286 -2.406 1.00 0.00 N ATOM 380 CA THR A 391 -14.319 -2.107 -3.248 1.00 0.00 C ATOM 381 C THR A 391 -13.284 -2.087 -4.367 1.00 0.00 C ATOM 382 O THR A 391 -13.632 -2.020 -5.545 1.00 0.00 O ATOM 383 CB THR A 391 -14.196 -0.810 -2.427 1.00 0.00 C ATOM 384 OG1 THR A 391 -13.025 -0.859 -1.605 1.00 0.00 O ATOM 385 CG2 THR A 391 -15.425 -0.602 -1.555 1.00 0.00 C ATOM 0 H THR A 391 -13.318 -3.283 -1.831 1.00 0.00 H new ATOM 0 HA THR A 391 -15.318 -2.160 -3.682 1.00 0.00 H new ATOM 0 HB THR A 391 -14.117 0.026 -3.122 1.00 0.00 H new ATOM 0 HG1 THR A 391 -13.036 -0.109 -0.974 1.00 0.00 H new ATOM 0 HG21 THR A 391 -15.315 0.320 -0.985 1.00 0.00 H new ATOM 0 HG22 THR A 391 -16.311 -0.535 -2.186 1.00 0.00 H new ATOM 0 HG23 THR A 391 -15.531 -1.442 -0.869 1.00 0.00 H new ATOM 393 N GLY A 392 -12.011 -2.147 -3.991 1.00 0.00 N ATOM 394 CA GLY A 392 -10.945 -2.135 -4.975 1.00 0.00 C ATOM 395 C GLY A 392 -10.188 -0.822 -4.995 1.00 0.00 C ATOM 396 O GLY A 392 -9.908 -0.276 -6.061 1.00 0.00 O ATOM 0 H GLY A 392 -11.698 -2.204 -3.022 1.00 0.00 H new ATOM 0 HA2 GLY A 392 -10.250 -2.948 -4.763 1.00 0.00 H new ATOM 0 HA3 GLY A 392 -11.365 -2.324 -5.963 1.00 0.00 H new ATOM 400 N GLU A 393 -9.857 -0.313 -3.812 1.00 0.00 N ATOM 401 CA GLU A 393 -9.131 0.946 -3.698 1.00 0.00 C ATOM 402 C GLU A 393 -7.687 0.785 -4.167 1.00 0.00 C ATOM 403 O GLU A 393 -7.207 -0.332 -4.356 1.00 0.00 O ATOM 404 CB GLU A 393 -9.156 1.447 -2.253 1.00 0.00 C ATOM 405 CG GLU A 393 -10.559 1.650 -1.704 1.00 0.00 C ATOM 406 CD GLU A 393 -10.561 2.035 -0.237 1.00 0.00 C ATOM 407 OE1 GLU A 393 -9.973 1.287 0.572 1.00 0.00 O ATOM 408 OE2 GLU A 393 -11.150 3.083 0.101 1.00 0.00 O ATOM 0 H GLU A 393 -10.080 -0.753 -2.919 1.00 0.00 H new ATOM 0 HA GLU A 393 -9.624 1.679 -4.337 1.00 0.00 H new ATOM 0 HB2 GLU A 393 -8.627 0.734 -1.621 1.00 0.00 H new ATOM 0 HB3 GLU A 393 -8.612 2.390 -2.195 1.00 0.00 H new ATOM 0 HG2 GLU A 393 -11.062 2.427 -2.280 1.00 0.00 H new ATOM 0 HG3 GLU A 393 -11.133 0.733 -1.836 1.00 0.00 H new ATOM 415 N GLU A 394 -7.003 1.910 -4.353 1.00 0.00 N ATOM 416 CA GLU A 394 -5.616 1.893 -4.801 1.00 0.00 C ATOM 417 C GLU A 394 -4.665 1.719 -3.620 1.00 0.00 C ATOM 418 O GLU A 394 -4.060 2.682 -3.148 1.00 0.00 O ATOM 419 CB GLU A 394 -5.283 3.185 -5.551 1.00 0.00 C ATOM 420 CG GLU A 394 -5.852 4.433 -4.896 1.00 0.00 C ATOM 421 CD GLU A 394 -5.125 5.695 -5.317 1.00 0.00 C ATOM 422 OE1 GLU A 394 -4.095 6.023 -4.691 1.00 0.00 O ATOM 423 OE2 GLU A 394 -5.585 6.355 -6.271 1.00 0.00 O ATOM 0 H GLU A 394 -7.386 2.843 -4.201 1.00 0.00 H new ATOM 0 HA GLU A 394 -5.489 1.046 -5.476 1.00 0.00 H new ATOM 0 HB2 GLU A 394 -4.200 3.284 -5.623 1.00 0.00 H new ATOM 0 HB3 GLU A 394 -5.665 3.113 -6.569 1.00 0.00 H new ATOM 0 HG2 GLU A 394 -6.908 4.524 -5.151 1.00 0.00 H new ATOM 0 HG3 GLU A 394 -5.794 4.329 -3.813 1.00 0.00 H new ATOM 430 N VAL A 395 -4.538 0.483 -3.147 1.00 0.00 N ATOM 431 CA VAL A 395 -3.661 0.181 -2.022 1.00 0.00 C ATOM 432 C VAL A 395 -2.219 0.004 -2.482 1.00 0.00 C ATOM 433 O VAL A 395 -1.803 -1.095 -2.852 1.00 0.00 O ATOM 434 CB VAL A 395 -4.114 -1.093 -1.284 1.00 0.00 C ATOM 435 CG1 VAL A 395 -3.170 -1.407 -0.134 1.00 0.00 C ATOM 436 CG2 VAL A 395 -5.543 -0.940 -0.786 1.00 0.00 C ATOM 0 H VAL A 395 -5.032 -0.325 -3.526 1.00 0.00 H new ATOM 0 HA VAL A 395 -3.719 1.028 -1.338 1.00 0.00 H new ATOM 0 HB VAL A 395 -4.085 -1.928 -1.984 1.00 0.00 H new ATOM 0 HG11 VAL A 395 -3.506 -2.310 0.376 1.00 0.00 H new ATOM 0 HG12 VAL A 395 -2.163 -1.562 -0.522 1.00 0.00 H new ATOM 0 HG13 VAL A 395 -3.164 -0.574 0.569 1.00 0.00 H new ATOM 0 HG21 VAL A 395 -5.847 -1.849 -0.267 1.00 0.00 H new ATOM 0 HG22 VAL A 395 -5.601 -0.094 -0.101 1.00 0.00 H new ATOM 0 HG23 VAL A 395 -6.207 -0.767 -1.633 1.00 0.00 H new ATOM 446 N THR A 396 -1.457 1.093 -2.457 1.00 0.00 N ATOM 447 CA THR A 396 -0.060 1.059 -2.871 1.00 0.00 C ATOM 448 C THR A 396 0.852 0.704 -1.703 1.00 0.00 C ATOM 449 O THR A 396 0.959 1.457 -0.734 1.00 0.00 O ATOM 450 CB THR A 396 0.384 2.410 -3.462 1.00 0.00 C ATOM 451 OG1 THR A 396 -0.550 2.839 -4.460 1.00 0.00 O ATOM 452 CG2 THR A 396 1.773 2.304 -4.073 1.00 0.00 C ATOM 0 H THR A 396 -1.784 2.010 -2.154 1.00 0.00 H new ATOM 0 HA THR A 396 0.023 0.290 -3.639 1.00 0.00 H new ATOM 0 HB THR A 396 0.415 3.142 -2.655 1.00 0.00 H new ATOM 0 HG1 THR A 396 -0.262 3.700 -4.830 1.00 0.00 H new ATOM 0 HG21 THR A 396 2.065 3.271 -4.484 1.00 0.00 H new ATOM 0 HG22 THR A 396 2.487 2.006 -3.305 1.00 0.00 H new ATOM 0 HG23 THR A 396 1.765 1.559 -4.869 1.00 0.00 H new ATOM 460 N HIS A 397 1.509 -0.447 -1.799 1.00 0.00 N ATOM 461 CA HIS A 397 2.414 -0.901 -0.749 1.00 0.00 C ATOM 462 C HIS A 397 3.860 -0.551 -1.089 1.00 0.00 C ATOM 463 O HIS A 397 4.247 -0.536 -2.258 1.00 0.00 O ATOM 464 CB HIS A 397 2.277 -2.411 -0.546 1.00 0.00 C ATOM 465 CG HIS A 397 1.201 -2.789 0.425 1.00 0.00 C ATOM 466 ND1 HIS A 397 -0.061 -2.233 0.404 1.00 0.00 N ATOM 467 CD2 HIS A 397 1.204 -3.674 1.449 1.00 0.00 C ATOM 468 CE1 HIS A 397 -0.787 -2.759 1.374 1.00 0.00 C ATOM 469 NE2 HIS A 397 -0.043 -3.637 2.023 1.00 0.00 N ATOM 0 H HIS A 397 1.432 -1.083 -2.593 1.00 0.00 H new ATOM 0 HA HIS A 397 2.143 -0.391 0.176 1.00 0.00 H new ATOM 0 HB2 HIS A 397 2.069 -2.881 -1.507 1.00 0.00 H new ATOM 0 HB3 HIS A 397 3.229 -2.810 -0.195 1.00 0.00 H new ATOM 0 HD2 HIS A 397 2.033 -4.294 1.757 1.00 0.00 H new ATOM 0 HE1 HIS A 397 -1.814 -2.513 1.599 1.00 0.00 H new ATOM 0 HE2 HIS A 397 -0.346 -4.196 2.821 1.00 0.00 H new ATOM 477 N TYR A 398 4.653 -0.271 -0.061 1.00 0.00 N ATOM 478 CA TYR A 398 6.054 0.083 -0.251 1.00 0.00 C ATOM 479 C TYR A 398 6.957 -0.778 0.627 1.00 0.00 C ATOM 480 O TYR A 398 6.835 -0.776 1.853 1.00 0.00 O ATOM 481 CB TYR A 398 6.277 1.562 0.065 1.00 0.00 C ATOM 482 CG TYR A 398 5.862 2.490 -1.055 1.00 0.00 C ATOM 483 CD1 TYR A 398 4.543 2.907 -1.185 1.00 0.00 C ATOM 484 CD2 TYR A 398 6.789 2.948 -1.984 1.00 0.00 C ATOM 485 CE1 TYR A 398 4.160 3.754 -2.207 1.00 0.00 C ATOM 486 CE2 TYR A 398 6.414 3.796 -3.008 1.00 0.00 C ATOM 487 CZ TYR A 398 5.099 4.196 -3.116 1.00 0.00 C ATOM 488 OH TYR A 398 4.722 5.039 -4.135 1.00 0.00 O ATOM 0 H TYR A 398 4.349 -0.282 0.913 1.00 0.00 H new ATOM 0 HA TYR A 398 6.310 -0.100 -1.295 1.00 0.00 H new ATOM 0 HB2 TYR A 398 5.719 1.821 0.965 1.00 0.00 H new ATOM 0 HB3 TYR A 398 7.332 1.723 0.286 1.00 0.00 H new ATOM 0 HD1 TYR A 398 3.805 2.563 -0.475 1.00 0.00 H new ATOM 0 HD2 TYR A 398 7.820 2.636 -1.904 1.00 0.00 H new ATOM 0 HE1 TYR A 398 3.131 4.069 -2.294 1.00 0.00 H new ATOM 0 HE2 TYR A 398 7.147 4.144 -3.720 1.00 0.00 H new ATOM 0 HH TYR A 398 5.503 5.256 -4.686 1.00 0.00 H new ATOM 498 N LEU A 399 7.864 -1.513 -0.008 1.00 0.00 N ATOM 499 CA LEU A 399 8.789 -2.379 0.715 1.00 0.00 C ATOM 500 C LEU A 399 9.810 -1.555 1.494 1.00 0.00 C ATOM 501 O LEU A 399 10.837 -1.147 0.952 1.00 0.00 O ATOM 502 CB LEU A 399 9.507 -3.315 -0.259 1.00 0.00 C ATOM 503 CG LEU A 399 10.519 -4.279 0.361 1.00 0.00 C ATOM 504 CD1 LEU A 399 9.856 -5.136 1.428 1.00 0.00 C ATOM 505 CD2 LEU A 399 11.149 -5.154 -0.713 1.00 0.00 C ATOM 0 H LEU A 399 7.978 -1.526 -1.021 1.00 0.00 H new ATOM 0 HA LEU A 399 8.214 -2.974 1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 399 8.756 -3.900 -0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 399 10.022 -2.707 -1.003 1.00 0.00 H new ATOM 0 HG LEU A 399 11.308 -3.693 0.833 1.00 0.00 H new ATOM 0 HD11 LEU A 399 10.592 -5.816 1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 399 9.453 -4.494 2.212 1.00 0.00 H new ATOM 0 HD13 LEU A 399 9.047 -5.713 0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 399 11.867 -5.834 -0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 399 10.372 -5.731 -1.214 1.00 0.00 H new ATOM 0 HD23 LEU A 399 11.660 -4.525 -1.441 1.00 0.00 H new ATOM 517 N VAL A 400 9.521 -1.317 2.769 1.00 0.00 N ATOM 518 CA VAL A 400 10.415 -0.545 3.624 1.00 0.00 C ATOM 519 C VAL A 400 11.622 -1.374 4.047 1.00 0.00 C ATOM 520 O VAL A 400 11.483 -2.394 4.723 1.00 0.00 O ATOM 521 CB VAL A 400 9.688 -0.038 4.883 1.00 0.00 C ATOM 522 CG1 VAL A 400 10.644 0.741 5.774 1.00 0.00 C ATOM 523 CG2 VAL A 400 8.489 0.817 4.498 1.00 0.00 C ATOM 0 H VAL A 400 8.675 -1.648 3.233 1.00 0.00 H new ATOM 0 HA VAL A 400 10.752 0.311 3.039 1.00 0.00 H new ATOM 0 HB VAL A 400 9.326 -0.899 5.444 1.00 0.00 H new ATOM 0 HG11 VAL A 400 10.113 1.092 6.659 1.00 0.00 H new ATOM 0 HG12 VAL A 400 11.467 0.094 6.077 1.00 0.00 H new ATOM 0 HG13 VAL A 400 11.038 1.596 5.225 1.00 0.00 H new ATOM 0 HG21 VAL A 400 7.987 1.167 5.400 1.00 0.00 H new ATOM 0 HG22 VAL A 400 8.826 1.674 3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 400 7.795 0.223 3.903 1.00 0.00 H new ATOM 533 N LYS A 401 12.808 -0.931 3.644 1.00 0.00 N ATOM 534 CA LYS A 401 14.042 -1.630 3.982 1.00 0.00 C ATOM 535 C LYS A 401 14.699 -1.011 5.212 1.00 0.00 C ATOM 536 O LYS A 401 15.294 0.064 5.135 1.00 0.00 O ATOM 537 CB LYS A 401 15.014 -1.593 2.800 1.00 0.00 C ATOM 538 CG LYS A 401 15.924 -2.806 2.723 1.00 0.00 C ATOM 539 CD LYS A 401 17.006 -2.759 3.789 1.00 0.00 C ATOM 540 CE LYS A 401 18.175 -1.885 3.359 1.00 0.00 C ATOM 541 NZ LYS A 401 19.429 -2.242 4.078 1.00 0.00 N ATOM 0 H LYS A 401 12.941 -0.090 3.082 1.00 0.00 H new ATOM 0 HA LYS A 401 13.792 -2.667 4.208 1.00 0.00 H new ATOM 0 HB2 LYS A 401 14.444 -1.517 1.874 1.00 0.00 H new ATOM 0 HB3 LYS A 401 15.626 -0.694 2.872 1.00 0.00 H new ATOM 0 HG2 LYS A 401 15.333 -3.714 2.843 1.00 0.00 H new ATOM 0 HG3 LYS A 401 16.385 -2.854 1.737 1.00 0.00 H new ATOM 0 HD2 LYS A 401 16.586 -2.375 4.719 1.00 0.00 H new ATOM 0 HD3 LYS A 401 17.361 -3.769 3.993 1.00 0.00 H new ATOM 0 HE2 LYS A 401 18.330 -1.989 2.285 1.00 0.00 H new ATOM 0 HE3 LYS A 401 17.934 -0.839 3.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 19.921 -1.374 4.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 19.198 -2.808 4.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 20.045 -2.794 3.448 1.00 0.00 H new ATOM 555 N TRP A 402 14.587 -1.697 6.344 1.00 0.00 N ATOM 556 CA TRP A 402 15.172 -1.215 7.590 1.00 0.00 C ATOM 557 C TRP A 402 16.144 -2.238 8.167 1.00 0.00 C ATOM 558 O TRP A 402 16.076 -3.424 7.843 1.00 0.00 O ATOM 559 CB TRP A 402 14.072 -0.908 8.608 1.00 0.00 C ATOM 560 CG TRP A 402 12.945 -1.895 8.581 1.00 0.00 C ATOM 561 CD1 TRP A 402 13.011 -3.204 8.195 1.00 0.00 C ATOM 562 CD2 TRP A 402 11.584 -1.653 8.953 1.00 0.00 C ATOM 563 NE1 TRP A 402 11.773 -3.789 8.305 1.00 0.00 N ATOM 564 CE2 TRP A 402 10.880 -2.859 8.769 1.00 0.00 C ATOM 565 CE3 TRP A 402 10.891 -0.535 9.426 1.00 0.00 C ATOM 566 CZ2 TRP A 402 9.520 -2.976 9.040 1.00 0.00 C ATOM 567 CZ3 TRP A 402 9.541 -0.652 9.694 1.00 0.00 C ATOM 568 CH2 TRP A 402 8.867 -1.866 9.501 1.00 0.00 C ATOM 0 H TRP A 402 14.097 -2.588 6.425 1.00 0.00 H new ATOM 0 HA TRP A 402 15.723 -0.300 7.373 1.00 0.00 H new ATOM 0 HB2 TRP A 402 14.507 -0.891 9.608 1.00 0.00 H new ATOM 0 HB3 TRP A 402 13.677 0.089 8.415 1.00 0.00 H new ATOM 0 HD1 TRP A 402 13.905 -3.705 7.854 1.00 0.00 H new ATOM 0 HE1 TRP A 402 11.554 -4.759 8.078 1.00 0.00 H new ATOM 0 HE3 TRP A 402 11.402 0.404 9.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 402 8.999 -3.910 8.892 1.00 0.00 H new ATOM 0 HZ3 TRP A 402 8.996 0.206 10.058 1.00 0.00 H new ATOM 0 HH2 TRP A 402 7.811 -1.926 9.721 1.00 0.00 H new ATOM 579 N CYS A 403 17.047 -1.772 9.023 1.00 0.00 N ATOM 580 CA CYS A 403 18.034 -2.648 9.645 1.00 0.00 C ATOM 581 C CYS A 403 17.537 -3.154 10.995 1.00 0.00 C ATOM 582 O CYS A 403 17.488 -4.360 11.237 1.00 0.00 O ATOM 583 CB CYS A 403 19.362 -1.910 9.820 1.00 0.00 C ATOM 584 SG CYS A 403 20.755 -2.986 10.235 1.00 0.00 S ATOM 0 H CYS A 403 17.116 -0.793 9.302 1.00 0.00 H new ATOM 0 HA CYS A 403 18.187 -3.506 8.990 1.00 0.00 H new ATOM 0 HB2 CYS A 403 19.592 -1.375 8.899 1.00 0.00 H new ATOM 0 HB3 CYS A 403 19.249 -1.161 10.604 1.00 0.00 H new ATOM 0 HG CYS A 403 21.833 -2.271 10.360 1.00 0.00 H new ATOM 590 N SER A 404 17.172 -2.224 11.872 1.00 0.00 N ATOM 591 CA SER A 404 16.685 -2.576 13.201 1.00 0.00 C ATOM 592 C SER A 404 15.888 -3.877 13.160 1.00 0.00 C ATOM 593 O SER A 404 15.903 -4.658 14.113 1.00 0.00 O ATOM 594 CB SER A 404 15.816 -1.450 13.763 1.00 0.00 C ATOM 595 OG SER A 404 15.674 -1.568 15.168 1.00 0.00 O ATOM 0 H SER A 404 17.204 -1.222 11.686 1.00 0.00 H new ATOM 0 HA SER A 404 17.548 -2.719 13.852 1.00 0.00 H new ATOM 0 HB2 SER A 404 16.262 -0.486 13.519 1.00 0.00 H new ATOM 0 HB3 SER A 404 14.833 -1.475 13.292 1.00 0.00 H new ATOM 0 HG SER A 404 15.116 -0.836 15.503 1.00 0.00 H new ATOM 601 N LEU A 405 15.193 -4.102 12.051 1.00 0.00 N ATOM 602 CA LEU A 405 14.388 -5.308 11.885 1.00 0.00 C ATOM 603 C LEU A 405 15.084 -6.304 10.962 1.00 0.00 C ATOM 604 O LEU A 405 15.854 -5.933 10.076 1.00 0.00 O ATOM 605 CB LEU A 405 13.010 -4.952 11.324 1.00 0.00 C ATOM 606 CG LEU A 405 12.047 -4.267 12.294 1.00 0.00 C ATOM 607 CD1 LEU A 405 10.933 -3.566 11.533 1.00 0.00 C ATOM 608 CD2 LEU A 405 11.472 -5.276 13.277 1.00 0.00 C ATOM 0 H LEU A 405 15.170 -3.466 11.254 1.00 0.00 H new ATOM 0 HA LEU A 405 14.266 -5.772 12.864 1.00 0.00 H new ATOM 0 HB2 LEU A 405 13.148 -4.301 10.461 1.00 0.00 H new ATOM 0 HB3 LEU A 405 12.540 -5.866 10.962 1.00 0.00 H new ATOM 0 HG LEU A 405 12.602 -3.517 12.858 1.00 0.00 H new ATOM 0 HD11 LEU A 405 10.257 -3.084 12.239 1.00 0.00 H new ATOM 0 HD12 LEU A 405 11.362 -2.814 10.871 1.00 0.00 H new ATOM 0 HD13 LEU A 405 10.380 -4.297 10.943 1.00 0.00 H new ATOM 0 HD21 LEU A 405 10.789 -4.770 13.960 1.00 0.00 H new ATOM 0 HD22 LEU A 405 10.933 -6.050 12.731 1.00 0.00 H new ATOM 0 HD23 LEU A 405 12.282 -5.732 13.846 1.00 0.00 H new ATOM 620 N PRO A 406 14.807 -7.599 11.172 1.00 0.00 N ATOM 621 CA PRO A 406 15.394 -8.675 10.367 1.00 0.00 C ATOM 622 C PRO A 406 14.857 -8.690 8.940 1.00 0.00 C ATOM 623 O PRO A 406 13.648 -8.612 8.720 1.00 0.00 O ATOM 624 CB PRO A 406 14.972 -9.944 11.111 1.00 0.00 C ATOM 625 CG PRO A 406 13.731 -9.561 11.841 1.00 0.00 C ATOM 626 CD PRO A 406 13.899 -8.113 12.210 1.00 0.00 C ATOM 0 HA PRO A 406 16.473 -8.564 10.263 1.00 0.00 H new ATOM 0 HB2 PRO A 406 14.786 -10.765 10.419 1.00 0.00 H new ATOM 0 HB3 PRO A 406 15.749 -10.276 11.799 1.00 0.00 H new ATOM 0 HG2 PRO A 406 12.850 -9.705 11.216 1.00 0.00 H new ATOM 0 HG3 PRO A 406 13.595 -10.177 12.730 1.00 0.00 H new ATOM 0 HD2 PRO A 406 12.946 -7.585 12.207 1.00 0.00 H new ATOM 0 HD3 PRO A 406 14.324 -7.999 13.207 1.00 0.00 H new ATOM 634 N TYR A 407 15.763 -8.791 7.974 1.00 0.00 N ATOM 635 CA TYR A 407 15.380 -8.814 6.567 1.00 0.00 C ATOM 636 C TYR A 407 14.210 -9.766 6.336 1.00 0.00 C ATOM 637 O TYR A 407 13.176 -9.375 5.795 1.00 0.00 O ATOM 638 CB TYR A 407 16.569 -9.231 5.700 1.00 0.00 C ATOM 639 CG TYR A 407 16.260 -9.259 4.220 1.00 0.00 C ATOM 640 CD1 TYR A 407 15.831 -8.114 3.559 1.00 0.00 C ATOM 641 CD2 TYR A 407 16.395 -10.428 3.483 1.00 0.00 C ATOM 642 CE1 TYR A 407 15.546 -8.134 2.207 1.00 0.00 C ATOM 643 CE2 TYR A 407 16.114 -10.457 2.131 1.00 0.00 C ATOM 644 CZ TYR A 407 15.690 -9.308 1.498 1.00 0.00 C ATOM 645 OH TYR A 407 15.408 -9.333 0.151 1.00 0.00 O ATOM 0 H TYR A 407 16.767 -8.858 8.139 1.00 0.00 H new ATOM 0 HA TYR A 407 15.068 -7.808 6.285 1.00 0.00 H new ATOM 0 HB2 TYR A 407 17.396 -8.543 5.877 1.00 0.00 H new ATOM 0 HB3 TYR A 407 16.905 -10.220 6.011 1.00 0.00 H new ATOM 0 HD1 TYR A 407 15.718 -7.193 4.112 1.00 0.00 H new ATOM 0 HD2 TYR A 407 16.726 -11.330 3.976 1.00 0.00 H new ATOM 0 HE1 TYR A 407 15.213 -7.236 1.709 1.00 0.00 H new ATOM 0 HE2 TYR A 407 16.226 -11.375 1.573 1.00 0.00 H new ATOM 0 HH TYR A 407 15.562 -10.235 -0.199 1.00 0.00 H new ATOM 655 N GLU A 408 14.382 -11.017 6.753 1.00 0.00 N ATOM 656 CA GLU A 408 13.341 -12.025 6.592 1.00 0.00 C ATOM 657 C GLU A 408 11.959 -11.424 6.839 1.00 0.00 C ATOM 658 O GLU A 408 10.977 -11.825 6.215 1.00 0.00 O ATOM 659 CB GLU A 408 13.579 -13.194 7.549 1.00 0.00 C ATOM 660 CG GLU A 408 14.781 -14.047 7.180 1.00 0.00 C ATOM 661 CD GLU A 408 15.229 -14.947 8.316 1.00 0.00 C ATOM 662 OE1 GLU A 408 14.918 -14.629 9.483 1.00 0.00 O ATOM 663 OE2 GLU A 408 15.890 -15.969 8.037 1.00 0.00 O ATOM 0 H GLU A 408 15.232 -11.356 7.204 1.00 0.00 H new ATOM 0 HA GLU A 408 13.381 -12.391 5.566 1.00 0.00 H new ATOM 0 HB2 GLU A 408 13.716 -12.805 8.558 1.00 0.00 H new ATOM 0 HB3 GLU A 408 12.689 -13.824 7.569 1.00 0.00 H new ATOM 0 HG2 GLU A 408 14.535 -14.659 6.312 1.00 0.00 H new ATOM 0 HG3 GLU A 408 15.607 -13.398 6.888 1.00 0.00 H new ATOM 670 N GLU A 409 11.894 -10.462 7.753 1.00 0.00 N ATOM 671 CA GLU A 409 10.633 -9.808 8.084 1.00 0.00 C ATOM 672 C GLU A 409 10.380 -8.618 7.162 1.00 0.00 C ATOM 673 O GLU A 409 9.804 -7.611 7.574 1.00 0.00 O ATOM 674 CB GLU A 409 10.641 -9.344 9.542 1.00 0.00 C ATOM 675 CG GLU A 409 9.255 -9.249 10.158 1.00 0.00 C ATOM 676 CD GLU A 409 8.562 -7.939 9.836 1.00 0.00 C ATOM 677 OE1 GLU A 409 9.235 -6.887 9.878 1.00 0.00 O ATOM 678 OE2 GLU A 409 7.349 -7.965 9.544 1.00 0.00 O ATOM 0 H GLU A 409 12.698 -10.118 8.277 1.00 0.00 H new ATOM 0 HA GLU A 409 9.830 -10.532 7.945 1.00 0.00 H new ATOM 0 HB2 GLU A 409 11.245 -10.035 10.131 1.00 0.00 H new ATOM 0 HB3 GLU A 409 11.124 -8.368 9.601 1.00 0.00 H new ATOM 0 HG2 GLU A 409 8.644 -10.077 9.798 1.00 0.00 H new ATOM 0 HG3 GLU A 409 9.334 -9.358 11.240 1.00 0.00 H new ATOM 685 N SER A 410 10.814 -8.743 5.912 1.00 0.00 N ATOM 686 CA SER A 410 10.638 -7.678 4.932 1.00 0.00 C ATOM 687 C SER A 410 9.157 -7.399 4.692 1.00 0.00 C ATOM 688 O SER A 410 8.470 -8.166 4.016 1.00 0.00 O ATOM 689 CB SER A 410 11.318 -8.052 3.613 1.00 0.00 C ATOM 690 OG SER A 410 10.642 -9.121 2.976 1.00 0.00 O ATOM 0 H SER A 410 11.290 -9.571 5.554 1.00 0.00 H new ATOM 0 HA SER A 410 11.101 -6.774 5.328 1.00 0.00 H new ATOM 0 HB2 SER A 410 11.338 -7.185 2.952 1.00 0.00 H new ATOM 0 HB3 SER A 410 12.354 -8.334 3.801 1.00 0.00 H new ATOM 0 HG SER A 410 9.680 -8.935 2.958 1.00 0.00 H new ATOM 696 N THR A 411 8.671 -6.296 5.251 1.00 0.00 N ATOM 697 CA THR A 411 7.272 -5.915 5.100 1.00 0.00 C ATOM 698 C THR A 411 7.120 -4.756 4.122 1.00 0.00 C ATOM 699 O THR A 411 8.096 -4.088 3.781 1.00 0.00 O ATOM 700 CB THR A 411 6.649 -5.516 6.452 1.00 0.00 C ATOM 701 OG1 THR A 411 5.276 -5.155 6.271 1.00 0.00 O ATOM 702 CG2 THR A 411 7.407 -4.354 7.075 1.00 0.00 C ATOM 0 H THR A 411 9.226 -5.650 5.813 1.00 0.00 H new ATOM 0 HA THR A 411 6.748 -6.787 4.710 1.00 0.00 H new ATOM 0 HB THR A 411 6.713 -6.372 7.124 1.00 0.00 H new ATOM 0 HG1 THR A 411 4.887 -4.904 7.135 1.00 0.00 H new ATOM 0 HG21 THR A 411 6.949 -4.090 8.028 1.00 0.00 H new ATOM 0 HG22 THR A 411 8.445 -4.643 7.239 1.00 0.00 H new ATOM 0 HG23 THR A 411 7.371 -3.495 6.405 1.00 0.00 H new ATOM 710 N TRP A 412 5.891 -4.522 3.676 1.00 0.00 N ATOM 711 CA TRP A 412 5.613 -3.441 2.737 1.00 0.00 C ATOM 712 C TRP A 412 4.604 -2.459 3.321 1.00 0.00 C ATOM 713 O TRP A 412 3.399 -2.594 3.110 1.00 0.00 O ATOM 714 CB TRP A 412 5.085 -4.008 1.418 1.00 0.00 C ATOM 715 CG TRP A 412 5.977 -5.055 0.822 1.00 0.00 C ATOM 716 CD1 TRP A 412 6.384 -6.218 1.413 1.00 0.00 C ATOM 717 CD2 TRP A 412 6.574 -5.034 -0.479 1.00 0.00 C ATOM 718 NE1 TRP A 412 7.198 -6.920 0.557 1.00 0.00 N ATOM 719 CE2 TRP A 412 7.329 -6.215 -0.611 1.00 0.00 C ATOM 720 CE3 TRP A 412 6.542 -4.132 -1.546 1.00 0.00 C ATOM 721 CZ2 TRP A 412 8.046 -6.516 -1.766 1.00 0.00 C ATOM 722 CZ3 TRP A 412 7.254 -4.432 -2.692 1.00 0.00 C ATOM 723 CH2 TRP A 412 7.997 -5.615 -2.795 1.00 0.00 C ATOM 0 H TRP A 412 5.072 -5.065 3.949 1.00 0.00 H new ATOM 0 HA TRP A 412 6.545 -2.907 2.549 1.00 0.00 H new ATOM 0 HB2 TRP A 412 4.096 -4.435 1.584 1.00 0.00 H new ATOM 0 HB3 TRP A 412 4.964 -3.194 0.703 1.00 0.00 H new ATOM 0 HD1 TRP A 412 6.107 -6.538 2.406 1.00 0.00 H new ATOM 0 HE1 TRP A 412 7.634 -7.820 0.758 1.00 0.00 H new ATOM 0 HE3 TRP A 412 5.972 -3.218 -1.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 412 8.620 -7.427 -1.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 412 7.237 -3.742 -3.523 1.00 0.00 H new ATOM 0 HH2 TRP A 412 8.542 -5.820 -3.705 1.00 0.00 H new ATOM 734 N GLU A 413 5.104 -1.470 4.056 1.00 0.00 N ATOM 735 CA GLU A 413 4.245 -0.466 4.671 1.00 0.00 C ATOM 736 C GLU A 413 3.592 0.416 3.610 1.00 0.00 C ATOM 737 O GLU A 413 4.121 0.575 2.508 1.00 0.00 O ATOM 738 CB GLU A 413 5.049 0.399 5.644 1.00 0.00 C ATOM 739 CG GLU A 413 5.782 -0.402 6.707 1.00 0.00 C ATOM 740 CD GLU A 413 4.948 -0.616 7.955 1.00 0.00 C ATOM 741 OE1 GLU A 413 3.957 -1.373 7.882 1.00 0.00 O ATOM 742 OE2 GLU A 413 5.285 -0.028 9.003 1.00 0.00 O ATOM 0 H GLU A 413 6.099 -1.343 4.240 1.00 0.00 H new ATOM 0 HA GLU A 413 3.460 -0.985 5.221 1.00 0.00 H new ATOM 0 HB2 GLU A 413 5.773 0.988 5.081 1.00 0.00 H new ATOM 0 HB3 GLU A 413 4.376 1.104 6.132 1.00 0.00 H new ATOM 0 HG2 GLU A 413 6.067 -1.370 6.295 1.00 0.00 H new ATOM 0 HG3 GLU A 413 6.704 0.115 6.975 1.00 0.00 H new ATOM 749 N LEU A 414 2.441 0.985 3.948 1.00 0.00 N ATOM 750 CA LEU A 414 1.715 1.850 3.025 1.00 0.00 C ATOM 751 C LEU A 414 2.477 3.150 2.783 1.00 0.00 C ATOM 752 O LEU A 414 3.359 3.516 3.559 1.00 0.00 O ATOM 753 CB LEU A 414 0.320 2.158 3.574 1.00 0.00 C ATOM 754 CG LEU A 414 -0.507 0.952 4.019 1.00 0.00 C ATOM 755 CD1 LEU A 414 -1.701 1.400 4.848 1.00 0.00 C ATOM 756 CD2 LEU A 414 -0.965 0.145 2.813 1.00 0.00 C ATOM 0 H LEU A 414 1.990 0.863 4.855 1.00 0.00 H new ATOM 0 HA LEU A 414 1.617 1.325 2.075 1.00 0.00 H new ATOM 0 HB2 LEU A 414 0.426 2.833 4.423 1.00 0.00 H new ATOM 0 HB3 LEU A 414 -0.240 2.695 2.808 1.00 0.00 H new ATOM 0 HG LEU A 414 0.122 0.314 4.640 1.00 0.00 H new ATOM 0 HD11 LEU A 414 -2.278 0.528 5.156 1.00 0.00 H new ATOM 0 HD12 LEU A 414 -1.351 1.934 5.732 1.00 0.00 H new ATOM 0 HD13 LEU A 414 -2.331 2.060 4.252 1.00 0.00 H new ATOM 0 HD21 LEU A 414 -1.552 -0.710 3.149 1.00 0.00 H new ATOM 0 HD22 LEU A 414 -1.576 0.774 2.166 1.00 0.00 H new ATOM 0 HD23 LEU A 414 -0.095 -0.208 2.260 1.00 0.00 H new ATOM 768 N GLU A 415 2.128 3.842 1.703 1.00 0.00 N ATOM 769 CA GLU A 415 2.778 5.101 1.361 1.00 0.00 C ATOM 770 C GLU A 415 2.743 6.070 2.540 1.00 0.00 C ATOM 771 O GLU A 415 3.712 6.783 2.799 1.00 0.00 O ATOM 772 CB GLU A 415 2.101 5.737 0.145 1.00 0.00 C ATOM 773 CG GLU A 415 2.985 6.727 -0.596 1.00 0.00 C ATOM 774 CD GLU A 415 2.185 7.772 -1.350 1.00 0.00 C ATOM 775 OE1 GLU A 415 1.429 7.392 -2.268 1.00 0.00 O ATOM 776 OE2 GLU A 415 2.316 8.969 -1.020 1.00 0.00 O ATOM 0 H GLU A 415 1.399 3.552 1.051 1.00 0.00 H new ATOM 0 HA GLU A 415 3.819 4.888 1.118 1.00 0.00 H new ATOM 0 HB2 GLU A 415 1.796 4.949 -0.544 1.00 0.00 H new ATOM 0 HB3 GLU A 415 1.193 6.246 0.470 1.00 0.00 H new ATOM 0 HG2 GLU A 415 3.644 7.223 0.116 1.00 0.00 H new ATOM 0 HG3 GLU A 415 3.621 6.187 -1.297 1.00 0.00 H new ATOM 783 N GLU A 416 1.619 6.089 3.249 1.00 0.00 N ATOM 784 CA GLU A 416 1.458 6.971 4.399 1.00 0.00 C ATOM 785 C GLU A 416 2.584 6.761 5.408 1.00 0.00 C ATOM 786 O GLU A 416 3.070 7.714 6.019 1.00 0.00 O ATOM 787 CB GLU A 416 0.105 6.727 5.071 1.00 0.00 C ATOM 788 CG GLU A 416 0.013 5.391 5.788 1.00 0.00 C ATOM 789 CD GLU A 416 0.477 5.470 7.230 1.00 0.00 C ATOM 790 OE1 GLU A 416 1.240 6.403 7.557 1.00 0.00 O ATOM 791 OE2 GLU A 416 0.077 4.599 8.031 1.00 0.00 O ATOM 0 H GLU A 416 0.808 5.505 3.048 1.00 0.00 H new ATOM 0 HA GLU A 416 1.499 8.001 4.043 1.00 0.00 H new ATOM 0 HB2 GLU A 416 -0.085 7.527 5.786 1.00 0.00 H new ATOM 0 HB3 GLU A 416 -0.680 6.780 4.317 1.00 0.00 H new ATOM 0 HG2 GLU A 416 -1.018 5.038 5.761 1.00 0.00 H new ATOM 0 HG3 GLU A 416 0.616 4.655 5.256 1.00 0.00 H new ATOM 798 N ASP A 417 2.993 5.509 5.577 1.00 0.00 N ATOM 799 CA ASP A 417 4.061 5.173 6.511 1.00 0.00 C ATOM 800 C ASP A 417 5.417 5.614 5.967 1.00 0.00 C ATOM 801 O ASP A 417 6.266 6.105 6.711 1.00 0.00 O ATOM 802 CB ASP A 417 4.073 3.669 6.786 1.00 0.00 C ATOM 803 CG ASP A 417 2.913 3.230 7.657 1.00 0.00 C ATOM 804 OD1 ASP A 417 2.891 3.604 8.848 1.00 0.00 O ATOM 805 OD2 ASP A 417 2.026 2.512 7.148 1.00 0.00 O ATOM 0 H ASP A 417 2.601 4.710 5.079 1.00 0.00 H new ATOM 0 HA ASP A 417 3.874 5.703 7.445 1.00 0.00 H new ATOM 0 HB2 ASP A 417 4.037 3.129 5.840 1.00 0.00 H new ATOM 0 HB3 ASP A 417 5.011 3.399 7.272 1.00 0.00 H new ATOM 810 N VAL A 418 5.613 5.435 4.665 1.00 0.00 N ATOM 811 CA VAL A 418 6.865 5.814 4.021 1.00 0.00 C ATOM 812 C VAL A 418 6.954 7.325 3.840 1.00 0.00 C ATOM 813 O VAL A 418 6.000 7.965 3.398 1.00 0.00 O ATOM 814 CB VAL A 418 7.018 5.134 2.647 1.00 0.00 C ATOM 815 CG1 VAL A 418 8.290 5.604 1.958 1.00 0.00 C ATOM 816 CG2 VAL A 418 7.012 3.621 2.799 1.00 0.00 C ATOM 0 H VAL A 418 4.921 5.030 4.035 1.00 0.00 H new ATOM 0 HA VAL A 418 7.671 5.481 4.675 1.00 0.00 H new ATOM 0 HB VAL A 418 6.170 5.417 2.024 1.00 0.00 H new ATOM 0 HG11 VAL A 418 8.382 5.113 0.989 1.00 0.00 H new ATOM 0 HG12 VAL A 418 8.249 6.684 1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 418 9.152 5.352 2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 418 7.121 3.156 1.819 1.00 0.00 H new ATOM 0 HG22 VAL A 418 7.840 3.316 3.439 1.00 0.00 H new ATOM 0 HG23 VAL A 418 6.071 3.304 3.248 1.00 0.00 H new ATOM 826 N ASP A 419 8.106 7.890 4.185 1.00 0.00 N ATOM 827 CA ASP A 419 8.321 9.327 4.059 1.00 0.00 C ATOM 828 C ASP A 419 8.364 9.744 2.592 1.00 0.00 C ATOM 829 O ASP A 419 8.849 9.013 1.728 1.00 0.00 O ATOM 830 CB ASP A 419 9.621 9.732 4.756 1.00 0.00 C ATOM 831 CG ASP A 419 9.472 9.808 6.262 1.00 0.00 C ATOM 832 OD1 ASP A 419 8.685 9.015 6.820 1.00 0.00 O ATOM 833 OD2 ASP A 419 10.141 10.660 6.883 1.00 0.00 O ATOM 0 H ASP A 419 8.905 7.375 4.554 1.00 0.00 H new ATOM 0 HA ASP A 419 7.486 9.838 4.538 1.00 0.00 H new ATOM 0 HB2 ASP A 419 10.402 9.014 4.507 1.00 0.00 H new ATOM 0 HB3 ASP A 419 9.946 10.701 4.377 1.00 0.00 H new ATOM 838 N PRO A 420 7.844 10.946 2.303 1.00 0.00 N ATOM 839 CA PRO A 420 7.811 11.487 0.941 1.00 0.00 C ATOM 840 C PRO A 420 9.199 11.855 0.429 1.00 0.00 C ATOM 841 O PRO A 420 9.454 11.830 -0.774 1.00 0.00 O ATOM 842 CB PRO A 420 6.941 12.739 1.078 1.00 0.00 C ATOM 843 CG PRO A 420 7.084 13.145 2.505 1.00 0.00 C ATOM 844 CD PRO A 420 7.249 11.870 3.284 1.00 0.00 C ATOM 0 HA PRO A 420 7.428 10.762 0.223 1.00 0.00 H new ATOM 0 HB2 PRO A 420 7.276 13.529 0.406 1.00 0.00 H new ATOM 0 HB3 PRO A 420 5.901 12.528 0.829 1.00 0.00 H new ATOM 0 HG2 PRO A 420 7.945 13.799 2.640 1.00 0.00 H new ATOM 0 HG3 PRO A 420 6.208 13.698 2.843 1.00 0.00 H new ATOM 0 HD2 PRO A 420 7.897 12.009 4.150 1.00 0.00 H new ATOM 0 HD3 PRO A 420 6.294 11.500 3.657 1.00 0.00 H new ATOM 852 N ALA A 421 10.093 12.197 1.351 1.00 0.00 N ATOM 853 CA ALA A 421 11.456 12.568 0.993 1.00 0.00 C ATOM 854 C ALA A 421 12.231 11.366 0.463 1.00 0.00 C ATOM 855 O ALA A 421 12.839 11.428 -0.606 1.00 0.00 O ATOM 856 CB ALA A 421 12.171 13.172 2.192 1.00 0.00 C ATOM 0 H ALA A 421 9.897 12.225 2.352 1.00 0.00 H new ATOM 0 HA ALA A 421 11.406 13.314 0.200 1.00 0.00 H new ATOM 0 HB1 ALA A 421 13.188 13.444 1.910 1.00 0.00 H new ATOM 0 HB2 ALA A 421 11.636 14.062 2.524 1.00 0.00 H new ATOM 0 HB3 ALA A 421 12.202 12.443 3.002 1.00 0.00 H new ATOM 862 N LYS A 422 12.206 10.273 1.218 1.00 0.00 N ATOM 863 CA LYS A 422 12.906 9.056 0.824 1.00 0.00 C ATOM 864 C LYS A 422 12.458 8.593 -0.559 1.00 0.00 C ATOM 865 O LYS A 422 13.276 8.426 -1.463 1.00 0.00 O ATOM 866 CB LYS A 422 12.658 7.947 1.849 1.00 0.00 C ATOM 867 CG LYS A 422 13.602 7.995 3.038 1.00 0.00 C ATOM 868 CD LYS A 422 13.225 9.106 4.005 1.00 0.00 C ATOM 869 CE LYS A 422 14.371 9.437 4.947 1.00 0.00 C ATOM 870 NZ LYS A 422 15.323 10.410 4.343 1.00 0.00 N ATOM 0 H LYS A 422 11.709 10.205 2.106 1.00 0.00 H new ATOM 0 HA LYS A 422 13.973 9.277 0.786 1.00 0.00 H new ATOM 0 HB2 LYS A 422 11.631 8.019 2.208 1.00 0.00 H new ATOM 0 HB3 LYS A 422 12.757 6.980 1.356 1.00 0.00 H new ATOM 0 HG2 LYS A 422 13.583 7.037 3.558 1.00 0.00 H new ATOM 0 HG3 LYS A 422 14.623 8.147 2.687 1.00 0.00 H new ATOM 0 HD2 LYS A 422 12.944 9.998 3.445 1.00 0.00 H new ATOM 0 HD3 LYS A 422 12.352 8.805 4.584 1.00 0.00 H new ATOM 0 HE2 LYS A 422 13.972 9.848 5.874 1.00 0.00 H new ATOM 0 HE3 LYS A 422 14.903 8.522 5.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 422 16.090 10.609 5.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 422 15.724 10.008 3.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 422 14.821 11.293 4.118 1.00 0.00 H new ATOM 884 N VAL A 423 11.154 8.389 -0.716 1.00 0.00 N ATOM 885 CA VAL A 423 10.598 7.949 -1.990 1.00 0.00 C ATOM 886 C VAL A 423 11.100 8.817 -3.138 1.00 0.00 C ATOM 887 O VAL A 423 11.575 8.308 -4.154 1.00 0.00 O ATOM 888 CB VAL A 423 9.058 7.983 -1.971 1.00 0.00 C ATOM 889 CG1 VAL A 423 8.498 7.586 -3.329 1.00 0.00 C ATOM 890 CG2 VAL A 423 8.519 7.073 -0.877 1.00 0.00 C ATOM 0 H VAL A 423 10.463 8.521 0.023 1.00 0.00 H new ATOM 0 HA VAL A 423 10.930 6.922 -2.143 1.00 0.00 H new ATOM 0 HB VAL A 423 8.737 9.002 -1.756 1.00 0.00 H new ATOM 0 HG11 VAL A 423 7.409 7.616 -3.296 1.00 0.00 H new ATOM 0 HG12 VAL A 423 8.857 8.281 -4.088 1.00 0.00 H new ATOM 0 HG13 VAL A 423 8.826 6.577 -3.577 1.00 0.00 H new ATOM 0 HG21 VAL A 423 7.430 7.109 -0.878 1.00 0.00 H new ATOM 0 HG22 VAL A 423 8.848 6.050 -1.060 1.00 0.00 H new ATOM 0 HG23 VAL A 423 8.892 7.407 0.091 1.00 0.00 H new ATOM 900 N LYS A 424 10.992 10.131 -2.971 1.00 0.00 N ATOM 901 CA LYS A 424 11.437 11.072 -3.992 1.00 0.00 C ATOM 902 C LYS A 424 12.782 10.648 -4.573 1.00 0.00 C ATOM 903 O LYS A 424 12.994 10.717 -5.784 1.00 0.00 O ATOM 904 CB LYS A 424 11.544 12.481 -3.404 1.00 0.00 C ATOM 905 CG LYS A 424 10.236 13.252 -3.430 1.00 0.00 C ATOM 906 CD LYS A 424 10.239 14.390 -2.424 1.00 0.00 C ATOM 907 CE LYS A 424 11.117 15.542 -2.889 1.00 0.00 C ATOM 908 NZ LYS A 424 11.297 16.567 -1.824 1.00 0.00 N ATOM 0 H LYS A 424 10.600 10.569 -2.137 1.00 0.00 H new ATOM 0 HA LYS A 424 10.699 11.075 -4.795 1.00 0.00 H new ATOM 0 HB2 LYS A 424 11.894 12.410 -2.374 1.00 0.00 H new ATOM 0 HB3 LYS A 424 12.297 13.041 -3.959 1.00 0.00 H new ATOM 0 HG2 LYS A 424 10.067 13.650 -4.431 1.00 0.00 H new ATOM 0 HG3 LYS A 424 9.410 12.575 -3.213 1.00 0.00 H new ATOM 0 HD2 LYS A 424 9.220 14.746 -2.272 1.00 0.00 H new ATOM 0 HD3 LYS A 424 10.596 14.025 -1.461 1.00 0.00 H new ATOM 0 HE2 LYS A 424 12.091 15.157 -3.191 1.00 0.00 H new ATOM 0 HE3 LYS A 424 10.671 16.006 -3.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 11.901 17.335 -2.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 10.370 16.953 -1.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 11.746 16.130 -0.994 1.00 0.00 H new ATOM 922 N GLU A 425 13.686 10.209 -3.703 1.00 0.00 N ATOM 923 CA GLU A 425 15.010 9.774 -4.132 1.00 0.00 C ATOM 924 C GLU A 425 14.920 8.498 -4.965 1.00 0.00 C ATOM 925 O GLU A 425 15.379 8.455 -6.107 1.00 0.00 O ATOM 926 CB GLU A 425 15.913 9.541 -2.919 1.00 0.00 C ATOM 927 CG GLU A 425 16.181 10.799 -2.110 1.00 0.00 C ATOM 928 CD GLU A 425 16.965 11.837 -2.888 1.00 0.00 C ATOM 929 OE1 GLU A 425 18.110 11.540 -3.289 1.00 0.00 O ATOM 930 OE2 GLU A 425 16.433 12.948 -3.097 1.00 0.00 O ATOM 0 H GLU A 425 13.526 10.145 -2.698 1.00 0.00 H new ATOM 0 HA GLU A 425 15.440 10.562 -4.750 1.00 0.00 H new ATOM 0 HB2 GLU A 425 15.453 8.794 -2.272 1.00 0.00 H new ATOM 0 HB3 GLU A 425 16.863 9.128 -3.258 1.00 0.00 H new ATOM 0 HG2 GLU A 425 15.232 11.230 -1.791 1.00 0.00 H new ATOM 0 HG3 GLU A 425 16.731 10.535 -1.207 1.00 0.00 H new ATOM 937 N PHE A 426 14.326 7.461 -4.385 1.00 0.00 N ATOM 938 CA PHE A 426 14.177 6.183 -5.072 1.00 0.00 C ATOM 939 C PHE A 426 13.670 6.387 -6.497 1.00 0.00 C ATOM 940 O PHE A 426 14.159 5.761 -7.436 1.00 0.00 O ATOM 941 CB PHE A 426 13.216 5.275 -4.302 1.00 0.00 C ATOM 942 CG PHE A 426 12.667 4.146 -5.127 1.00 0.00 C ATOM 943 CD1 PHE A 426 13.452 3.046 -5.430 1.00 0.00 C ATOM 944 CD2 PHE A 426 11.365 4.186 -5.601 1.00 0.00 C ATOM 945 CE1 PHE A 426 12.950 2.005 -6.188 1.00 0.00 C ATOM 946 CE2 PHE A 426 10.857 3.149 -6.359 1.00 0.00 C ATOM 947 CZ PHE A 426 11.651 2.058 -6.655 1.00 0.00 C ATOM 0 H PHE A 426 13.940 7.480 -3.441 1.00 0.00 H new ATOM 0 HA PHE A 426 15.157 5.708 -5.118 1.00 0.00 H new ATOM 0 HB2 PHE A 426 13.734 4.863 -3.436 1.00 0.00 H new ATOM 0 HB3 PHE A 426 12.388 5.874 -3.923 1.00 0.00 H new ATOM 0 HD1 PHE A 426 14.469 3.001 -5.069 1.00 0.00 H new ATOM 0 HD2 PHE A 426 10.741 5.038 -5.375 1.00 0.00 H new ATOM 0 HE1 PHE A 426 13.572 1.152 -6.415 1.00 0.00 H new ATOM 0 HE2 PHE A 426 9.840 3.191 -6.720 1.00 0.00 H new ATOM 0 HZ PHE A 426 11.257 1.248 -7.251 1.00 0.00 H new ATOM 957 N GLU A 427 12.686 7.268 -6.648 1.00 0.00 N ATOM 958 CA GLU A 427 12.112 7.554 -7.957 1.00 0.00 C ATOM 959 C GLU A 427 13.200 7.935 -8.957 1.00 0.00 C ATOM 960 O GLU A 427 13.368 7.281 -9.986 1.00 0.00 O ATOM 961 CB GLU A 427 11.083 8.682 -7.852 1.00 0.00 C ATOM 962 CG GLU A 427 9.815 8.283 -7.117 1.00 0.00 C ATOM 963 CD GLU A 427 8.612 9.103 -7.540 1.00 0.00 C ATOM 964 OE1 GLU A 427 8.709 10.348 -7.533 1.00 0.00 O ATOM 965 OE2 GLU A 427 7.572 8.499 -7.879 1.00 0.00 O ATOM 0 H GLU A 427 12.270 7.795 -5.880 1.00 0.00 H new ATOM 0 HA GLU A 427 11.616 6.651 -8.313 1.00 0.00 H new ATOM 0 HB2 GLU A 427 11.538 9.530 -7.341 1.00 0.00 H new ATOM 0 HB3 GLU A 427 10.821 9.018 -8.855 1.00 0.00 H new ATOM 0 HG2 GLU A 427 9.612 7.227 -7.298 1.00 0.00 H new ATOM 0 HG3 GLU A 427 9.970 8.399 -6.044 1.00 0.00 H new ATOM 972 N SER A 428 13.935 8.998 -8.647 1.00 0.00 N ATOM 973 CA SER A 428 15.004 9.469 -9.519 1.00 0.00 C ATOM 974 C SER A 428 16.015 8.358 -9.789 1.00 0.00 C ATOM 975 O SER A 428 16.479 8.186 -10.916 1.00 0.00 O ATOM 976 CB SER A 428 15.708 10.674 -8.893 1.00 0.00 C ATOM 977 OG SER A 428 14.967 11.863 -9.102 1.00 0.00 O ATOM 0 H SER A 428 13.810 9.549 -7.798 1.00 0.00 H new ATOM 0 HA SER A 428 14.559 9.770 -10.468 1.00 0.00 H new ATOM 0 HB2 SER A 428 15.840 10.507 -7.824 1.00 0.00 H new ATOM 0 HB3 SER A 428 16.703 10.782 -9.324 1.00 0.00 H new ATOM 0 HG SER A 428 15.437 12.618 -8.691 1.00 0.00 H new ATOM 983 N LEU A 429 16.351 7.607 -8.746 1.00 0.00 N ATOM 984 CA LEU A 429 17.307 6.512 -8.868 1.00 0.00 C ATOM 985 C LEU A 429 16.618 5.240 -9.353 1.00 0.00 C ATOM 986 O LEU A 429 16.457 4.284 -8.595 1.00 0.00 O ATOM 987 CB LEU A 429 17.992 6.255 -7.525 1.00 0.00 C ATOM 988 CG LEU A 429 18.817 7.411 -6.960 1.00 0.00 C ATOM 989 CD1 LEU A 429 18.886 7.326 -5.443 1.00 0.00 C ATOM 990 CD2 LEU A 429 20.215 7.413 -7.560 1.00 0.00 C ATOM 0 H LEU A 429 15.976 7.736 -7.806 1.00 0.00 H new ATOM 0 HA LEU A 429 18.059 6.799 -9.603 1.00 0.00 H new ATOM 0 HB2 LEU A 429 17.227 5.990 -6.795 1.00 0.00 H new ATOM 0 HB3 LEU A 429 18.644 5.388 -7.633 1.00 0.00 H new ATOM 0 HG LEU A 429 18.327 8.347 -7.229 1.00 0.00 H new ATOM 0 HD11 LEU A 429 19.477 8.157 -5.059 1.00 0.00 H new ATOM 0 HD12 LEU A 429 17.879 7.376 -5.030 1.00 0.00 H new ATOM 0 HD13 LEU A 429 19.352 6.384 -5.152 1.00 0.00 H new ATOM 0 HD21 LEU A 429 20.787 8.243 -7.146 1.00 0.00 H new ATOM 0 HD22 LEU A 429 20.714 6.474 -7.323 1.00 0.00 H new ATOM 0 HD23 LEU A 429 20.146 7.524 -8.642 1.00 0.00 H new ATOM 1002 N GLN A 430 16.217 5.237 -10.620 1.00 0.00 N ATOM 1003 CA GLN A 430 15.547 4.081 -11.205 1.00 0.00 C ATOM 1004 C GLN A 430 16.435 3.408 -12.248 1.00 0.00 C ATOM 1005 O GLN A 430 16.408 3.767 -13.425 1.00 0.00 O ATOM 1006 CB GLN A 430 14.222 4.502 -11.842 1.00 0.00 C ATOM 1007 CG GLN A 430 13.044 4.455 -10.882 1.00 0.00 C ATOM 1008 CD GLN A 430 12.734 3.049 -10.407 1.00 0.00 C ATOM 1009 OE1 GLN A 430 13.044 2.069 -11.086 1.00 0.00 O ATOM 1010 NE2 GLN A 430 12.119 2.942 -9.236 1.00 0.00 N ATOM 0 H GLN A 430 16.344 6.021 -11.260 1.00 0.00 H new ATOM 0 HA GLN A 430 15.348 3.365 -10.407 1.00 0.00 H new ATOM 0 HB2 GLN A 430 14.322 5.515 -12.233 1.00 0.00 H new ATOM 0 HB3 GLN A 430 14.014 3.852 -12.692 1.00 0.00 H new ATOM 0 HG2 GLN A 430 13.257 5.087 -10.020 1.00 0.00 H new ATOM 0 HG3 GLN A 430 12.164 4.871 -11.372 1.00 0.00 H new ATOM 0 HE21 GLN A 430 11.881 3.781 -8.707 1.00 0.00 H new ATOM 0 HE22 GLN A 430 11.885 2.021 -8.865 1.00 0.00 H new ATOM 1019 N VAL A 431 17.221 2.432 -11.806 1.00 0.00 N ATOM 1020 CA VAL A 431 18.116 1.708 -12.701 1.00 0.00 C ATOM 1021 C VAL A 431 17.441 0.463 -13.266 1.00 0.00 C ATOM 1022 O VAL A 431 17.655 0.098 -14.422 1.00 0.00 O ATOM 1023 CB VAL A 431 19.413 1.293 -11.982 1.00 0.00 C ATOM 1024 CG1 VAL A 431 20.306 0.486 -12.913 1.00 0.00 C ATOM 1025 CG2 VAL A 431 20.146 2.518 -11.456 1.00 0.00 C ATOM 0 H VAL A 431 17.256 2.124 -10.834 1.00 0.00 H new ATOM 0 HA VAL A 431 18.362 2.386 -13.518 1.00 0.00 H new ATOM 0 HB VAL A 431 19.151 0.662 -11.133 1.00 0.00 H new ATOM 0 HG11 VAL A 431 21.218 0.202 -12.387 1.00 0.00 H new ATOM 0 HG12 VAL A 431 19.778 -0.412 -13.236 1.00 0.00 H new ATOM 0 HG13 VAL A 431 20.563 1.089 -13.784 1.00 0.00 H new ATOM 0 HG21 VAL A 431 21.060 2.206 -10.951 1.00 0.00 H new ATOM 0 HG22 VAL A 431 20.398 3.176 -12.287 1.00 0.00 H new ATOM 0 HG23 VAL A 431 19.506 3.051 -10.752 1.00 0.00 H new TER 1035 VAL A 431