USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 667 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 451 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 455 LYS NZ :NH3+ -148:sc=-0.00878 (180deg=-0.0521) USER MOD Single : A 379 SER OG : rot -33:sc= -3.29! USER MOD Single : A 381 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 382 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 385 HIS : no HD1:sc= -0.264 X(o=-0.26,f=-0.094) USER MOD Single : A 389 LYS NZ :NH3+ 171:sc= -0.301 (180deg=-0.473) USER MOD Single : A 391 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 392 TYR OH : rot 180:sc= 0 USER MOD Single : A 395 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 403 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 404 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 405 THR OG1 : rot 180:sc= 0 USER MOD Single : A 407 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 409 TYR OH : rot 180:sc= 0 USER MOD Single : A 415 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 417 THR OG1 : rot 79:sc= 1.11 USER MOD Single : A 418 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 425 SER OG : rot -57:sc= 1.17 USER MOD Single : A 428 THR OG1 : rot 180:sc= 0.00988 USER MOD Single : A 431 GLN :FLIP amide:sc= 0 F(o=-0.5,f=0) USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD Single : A 436 GLN : amide:sc= -0.082 K(o=-0.082,f=-0.94) USER MOD Single : A 439 LYS NZ :NH3+ 138:sc= -0.9 (180deg=-3.96!) USER MOD Single : A 443 CYS SG : rot 180:sc= 0 USER MOD Single : A 444 LYS NZ :NH3+ -164:sc= 0.685 (180deg=0.549) USER MOD Single : A 446 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 454 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 43 N SER A 379 -1.148 16.830 1.108 1.00 0.00 N ATOM 44 CA SER A 379 -0.263 15.741 0.716 1.00 0.00 C ATOM 45 C SER A 379 -0.287 14.621 1.749 1.00 0.00 C ATOM 46 O SER A 379 -0.481 13.453 1.411 1.00 0.00 O ATOM 47 CB SER A 379 1.166 16.258 0.538 1.00 0.00 C ATOM 48 OG SER A 379 1.603 16.960 1.688 1.00 0.00 O ATOM 0 HA SER A 379 -0.618 15.341 -0.233 1.00 0.00 H new ATOM 0 HB2 SER A 379 1.837 15.421 0.343 1.00 0.00 H new ATOM 0 HB3 SER A 379 1.213 16.914 -0.331 1.00 0.00 H new ATOM 0 HG SER A 379 0.843 17.425 2.096 1.00 0.00 H new ATOM 54 N ILE A 380 -0.085 14.984 3.012 1.00 0.00 N ATOM 55 CA ILE A 380 -0.080 14.010 4.098 1.00 0.00 C ATOM 56 C ILE A 380 -1.375 13.201 4.125 1.00 0.00 C ATOM 57 O ILE A 380 -1.357 11.996 4.370 1.00 0.00 O ATOM 58 CB ILE A 380 0.117 14.697 5.465 1.00 0.00 C ATOM 59 CG1 ILE A 380 0.238 13.652 6.576 1.00 0.00 C ATOM 60 CG2 ILE A 380 -1.032 15.654 5.752 1.00 0.00 C ATOM 61 CD1 ILE A 380 1.417 12.718 6.402 1.00 0.00 C ATOM 0 H ILE A 380 0.077 15.946 3.309 1.00 0.00 H new ATOM 0 HA ILE A 380 0.756 13.336 3.914 1.00 0.00 H new ATOM 0 HB ILE A 380 1.042 15.273 5.432 1.00 0.00 H new ATOM 0 HG12 ILE A 380 0.327 14.162 7.535 1.00 0.00 H new ATOM 0 HG13 ILE A 380 -0.679 13.064 6.612 1.00 0.00 H new ATOM 0 HG21 ILE A 380 -0.876 16.130 6.720 1.00 0.00 H new ATOM 0 HG22 ILE A 380 -1.072 16.417 4.975 1.00 0.00 H new ATOM 0 HG23 ILE A 380 -1.971 15.101 5.766 1.00 0.00 H new ATOM 0 HD11 ILE A 380 1.440 12.004 7.225 1.00 0.00 H new ATOM 0 HD12 ILE A 380 1.319 12.181 5.459 1.00 0.00 H new ATOM 0 HD13 ILE A 380 2.341 13.296 6.396 1.00 0.00 H new ATOM 73 N LYS A 381 -2.494 13.873 3.871 1.00 0.00 N ATOM 74 CA LYS A 381 -3.799 13.217 3.867 1.00 0.00 C ATOM 75 C LYS A 381 -3.797 11.995 2.952 1.00 0.00 C ATOM 76 O LYS A 381 -4.272 10.923 3.328 1.00 0.00 O ATOM 77 CB LYS A 381 -4.884 14.199 3.419 1.00 0.00 C ATOM 78 CG LYS A 381 -6.236 13.948 4.066 1.00 0.00 C ATOM 79 CD LYS A 381 -6.970 15.249 4.347 1.00 0.00 C ATOM 80 CE LYS A 381 -8.477 15.065 4.275 1.00 0.00 C ATOM 81 NZ LYS A 381 -9.185 15.869 5.309 1.00 0.00 N ATOM 0 H LYS A 381 -2.524 14.872 3.665 1.00 0.00 H new ATOM 0 HA LYS A 381 -4.011 12.885 4.883 1.00 0.00 H new ATOM 0 HB2 LYS A 381 -4.562 15.214 3.651 1.00 0.00 H new ATOM 0 HB3 LYS A 381 -4.992 14.139 2.336 1.00 0.00 H new ATOM 0 HG2 LYS A 381 -6.842 13.321 3.412 1.00 0.00 H new ATOM 0 HG3 LYS A 381 -6.098 13.398 4.997 1.00 0.00 H new ATOM 0 HD2 LYS A 381 -6.694 15.618 5.335 1.00 0.00 H new ATOM 0 HD3 LYS A 381 -6.660 16.006 3.627 1.00 0.00 H new ATOM 0 HE2 LYS A 381 -8.831 15.354 3.285 1.00 0.00 H new ATOM 0 HE3 LYS A 381 -8.721 14.011 4.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 -10.210 15.716 5.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 -8.866 15.576 6.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 -8.974 16.878 5.169 1.00 0.00 H new ATOM 95 N LYS A 382 -3.257 12.163 1.751 1.00 0.00 N ATOM 96 CA LYS A 382 -3.191 11.074 0.785 1.00 0.00 C ATOM 97 C LYS A 382 -2.278 9.961 1.289 1.00 0.00 C ATOM 98 O LYS A 382 -2.561 8.777 1.100 1.00 0.00 O ATOM 99 CB LYS A 382 -2.693 11.589 -0.566 1.00 0.00 C ATOM 100 CG LYS A 382 -3.401 10.960 -1.755 1.00 0.00 C ATOM 101 CD LYS A 382 -3.626 11.970 -2.870 1.00 0.00 C ATOM 102 CE LYS A 382 -4.988 11.787 -3.521 1.00 0.00 C ATOM 103 NZ LYS A 382 -5.620 13.091 -3.863 1.00 0.00 N ATOM 0 H LYS A 382 -2.859 13.043 1.423 1.00 0.00 H new ATOM 0 HA LYS A 382 -4.195 10.669 0.659 1.00 0.00 H new ATOM 0 HB2 LYS A 382 -2.826 12.670 -0.605 1.00 0.00 H new ATOM 0 HB3 LYS A 382 -1.623 11.396 -0.647 1.00 0.00 H new ATOM 0 HG2 LYS A 382 -2.809 10.126 -2.132 1.00 0.00 H new ATOM 0 HG3 LYS A 382 -4.359 10.551 -1.434 1.00 0.00 H new ATOM 0 HD2 LYS A 382 -3.546 12.980 -2.469 1.00 0.00 H new ATOM 0 HD3 LYS A 382 -2.845 11.863 -3.622 1.00 0.00 H new ATOM 0 HE2 LYS A 382 -4.881 11.188 -4.425 1.00 0.00 H new ATOM 0 HE3 LYS A 382 -5.641 11.233 -2.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 382 -6.546 12.923 -4.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 382 -5.746 13.653 -2.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 382 -5.009 13.609 -4.526 1.00 0.00 H new ATOM 117 N ILE A 383 -1.182 10.350 1.934 1.00 0.00 N ATOM 118 CA ILE A 383 -0.227 9.388 2.465 1.00 0.00 C ATOM 119 C ILE A 383 -0.838 8.587 3.611 1.00 0.00 C ATOM 120 O ILE A 383 -0.723 7.362 3.653 1.00 0.00 O ATOM 121 CB ILE A 383 1.055 10.087 2.955 1.00 0.00 C ATOM 122 CG1 ILE A 383 1.619 10.988 1.856 1.00 0.00 C ATOM 123 CG2 ILE A 383 2.091 9.059 3.381 1.00 0.00 C ATOM 124 CD1 ILE A 383 2.772 11.851 2.318 1.00 0.00 C ATOM 0 H ILE A 383 -0.935 11.325 2.101 1.00 0.00 H new ATOM 0 HA ILE A 383 0.031 8.708 1.653 1.00 0.00 H new ATOM 0 HB ILE A 383 0.806 10.704 3.818 1.00 0.00 H new ATOM 0 HG12 ILE A 383 1.950 10.368 1.023 1.00 0.00 H new ATOM 0 HG13 ILE A 383 0.823 11.630 1.479 1.00 0.00 H new ATOM 0 HG21 ILE A 383 2.991 9.570 3.724 1.00 0.00 H new ATOM 0 HG22 ILE A 383 1.688 8.450 4.190 1.00 0.00 H new ATOM 0 HG23 ILE A 383 2.338 8.419 2.534 1.00 0.00 H new ATOM 0 HD11 ILE A 383 3.123 12.464 1.488 1.00 0.00 H new ATOM 0 HD12 ILE A 383 2.440 12.496 3.131 1.00 0.00 H new ATOM 0 HD13 ILE A 383 3.585 11.215 2.668 1.00 0.00 H new ATOM 136 N ILE A 384 -1.494 9.280 4.536 1.00 0.00 N ATOM 137 CA ILE A 384 -2.124 8.615 5.669 1.00 0.00 C ATOM 138 C ILE A 384 -3.231 7.682 5.189 1.00 0.00 C ATOM 139 O ILE A 384 -3.396 6.576 5.707 1.00 0.00 O ATOM 140 CB ILE A 384 -2.710 9.625 6.676 1.00 0.00 C ATOM 141 CG1 ILE A 384 -3.706 10.557 5.985 1.00 0.00 C ATOM 142 CG2 ILE A 384 -1.594 10.427 7.330 1.00 0.00 C ATOM 143 CD1 ILE A 384 -4.380 11.527 6.931 1.00 0.00 C ATOM 0 H ILE A 384 -1.602 10.294 4.524 1.00 0.00 H new ATOM 0 HA ILE A 384 -1.349 8.040 6.175 1.00 0.00 H new ATOM 0 HB ILE A 384 -3.240 9.072 7.451 1.00 0.00 H new ATOM 0 HG12 ILE A 384 -3.187 11.120 5.209 1.00 0.00 H new ATOM 0 HG13 ILE A 384 -4.468 9.957 5.488 1.00 0.00 H new ATOM 0 HG21 ILE A 384 -2.022 11.136 8.038 1.00 0.00 H new ATOM 0 HG22 ILE A 384 -0.920 9.751 7.856 1.00 0.00 H new ATOM 0 HG23 ILE A 384 -1.039 10.969 6.565 1.00 0.00 H new ATOM 0 HD11 ILE A 384 -5.073 12.157 6.373 1.00 0.00 H new ATOM 0 HD12 ILE A 384 -4.927 10.972 7.693 1.00 0.00 H new ATOM 0 HD13 ILE A 384 -3.626 12.152 7.409 1.00 0.00 H new ATOM 155 N HIS A 385 -3.978 8.133 4.185 1.00 0.00 N ATOM 156 CA HIS A 385 -5.059 7.332 3.622 1.00 0.00 C ATOM 157 C HIS A 385 -4.510 6.031 3.051 1.00 0.00 C ATOM 158 O HIS A 385 -4.946 4.940 3.426 1.00 0.00 O ATOM 159 CB HIS A 385 -5.792 8.116 2.531 1.00 0.00 C ATOM 160 CG HIS A 385 -6.985 8.870 3.035 1.00 0.00 C ATOM 161 ND1 HIS A 385 -7.758 9.681 2.231 1.00 0.00 N ATOM 162 CD2 HIS A 385 -7.538 8.929 4.271 1.00 0.00 C ATOM 163 CE1 HIS A 385 -8.733 10.208 2.949 1.00 0.00 C ATOM 164 NE2 HIS A 385 -8.623 9.769 4.190 1.00 0.00 N ATOM 0 H HIS A 385 -3.855 9.046 3.746 1.00 0.00 H new ATOM 0 HA HIS A 385 -5.765 7.097 4.418 1.00 0.00 H new ATOM 0 HB2 HIS A 385 -5.097 8.818 2.070 1.00 0.00 H new ATOM 0 HB3 HIS A 385 -6.112 7.425 1.751 1.00 0.00 H new ATOM 0 HD2 HIS A 385 -7.191 8.413 5.154 1.00 0.00 H new ATOM 0 HE1 HIS A 385 -9.492 10.884 2.583 1.00 0.00 H new ATOM 0 HE2 HIS A 385 -9.242 10.014 4.963 1.00 0.00 H new ATOM 173 N VAL A 386 -3.538 6.150 2.150 1.00 0.00 N ATOM 174 CA VAL A 386 -2.921 4.979 1.542 1.00 0.00 C ATOM 175 C VAL A 386 -2.308 4.086 2.614 1.00 0.00 C ATOM 176 O VAL A 386 -2.304 2.862 2.491 1.00 0.00 O ATOM 177 CB VAL A 386 -1.836 5.371 0.521 1.00 0.00 C ATOM 178 CG1 VAL A 386 -2.446 6.150 -0.634 1.00 0.00 C ATOM 179 CG2 VAL A 386 -0.733 6.176 1.191 1.00 0.00 C ATOM 0 H VAL A 386 -3.163 7.042 1.827 1.00 0.00 H new ATOM 0 HA VAL A 386 -3.706 4.436 1.015 1.00 0.00 H new ATOM 0 HB VAL A 386 -1.395 4.458 0.122 1.00 0.00 H new ATOM 0 HG11 VAL A 386 -1.664 6.418 -1.345 1.00 0.00 H new ATOM 0 HG12 VAL A 386 -3.195 5.535 -1.133 1.00 0.00 H new ATOM 0 HG13 VAL A 386 -2.917 7.056 -0.253 1.00 0.00 H new ATOM 0 HG21 VAL A 386 0.023 6.443 0.452 1.00 0.00 H new ATOM 0 HG22 VAL A 386 -1.155 7.084 1.622 1.00 0.00 H new ATOM 0 HG23 VAL A 386 -0.275 5.579 1.980 1.00 0.00 H new ATOM 189 N LEU A 387 -1.804 4.712 3.676 1.00 0.00 N ATOM 190 CA LEU A 387 -1.203 3.973 4.780 1.00 0.00 C ATOM 191 C LEU A 387 -2.231 3.037 5.402 1.00 0.00 C ATOM 192 O LEU A 387 -1.995 1.836 5.536 1.00 0.00 O ATOM 193 CB LEU A 387 -0.662 4.939 5.838 1.00 0.00 C ATOM 194 CG LEU A 387 0.790 5.374 5.633 1.00 0.00 C ATOM 195 CD1 LEU A 387 1.138 6.523 6.569 1.00 0.00 C ATOM 196 CD2 LEU A 387 1.734 4.202 5.853 1.00 0.00 C ATOM 0 H LEU A 387 -1.801 5.725 3.793 1.00 0.00 H new ATOM 0 HA LEU A 387 -0.373 3.382 4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 387 -1.293 5.828 5.854 1.00 0.00 H new ATOM 0 HB3 LEU A 387 -0.750 4.468 6.817 1.00 0.00 H new ATOM 0 HG LEU A 387 0.905 5.719 4.606 1.00 0.00 H new ATOM 0 HD11 LEU A 387 2.175 6.820 6.410 1.00 0.00 H new ATOM 0 HD12 LEU A 387 0.482 7.370 6.365 1.00 0.00 H new ATOM 0 HD13 LEU A 387 1.007 6.203 7.603 1.00 0.00 H new ATOM 0 HD21 LEU A 387 2.763 4.530 5.703 1.00 0.00 H new ATOM 0 HD22 LEU A 387 1.617 3.827 6.870 1.00 0.00 H new ATOM 0 HD23 LEU A 387 1.499 3.408 5.144 1.00 0.00 H new ATOM 208 N GLU A 388 -3.384 3.595 5.766 1.00 0.00 N ATOM 209 CA GLU A 388 -4.457 2.804 6.355 1.00 0.00 C ATOM 210 C GLU A 388 -4.863 1.684 5.405 1.00 0.00 C ATOM 211 O GLU A 388 -5.048 0.536 5.816 1.00 0.00 O ATOM 212 CB GLU A 388 -5.664 3.691 6.667 1.00 0.00 C ATOM 213 CG GLU A 388 -5.400 4.716 7.757 1.00 0.00 C ATOM 214 CD GLU A 388 -5.226 4.085 9.124 1.00 0.00 C ATOM 215 OE1 GLU A 388 -4.078 3.743 9.478 1.00 0.00 O ATOM 216 OE2 GLU A 388 -6.238 3.930 9.841 1.00 0.00 O ATOM 0 H GLU A 388 -3.597 4.587 5.663 1.00 0.00 H new ATOM 0 HA GLU A 388 -4.096 2.366 7.286 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -5.968 4.210 5.758 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.500 3.060 6.968 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.504 5.284 7.507 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.227 5.425 7.791 1.00 0.00 H new ATOM 223 N LYS A 389 -4.981 2.025 4.124 1.00 0.00 N ATOM 224 CA LYS A 389 -5.344 1.048 3.105 1.00 0.00 C ATOM 225 C LYS A 389 -4.340 -0.097 3.095 1.00 0.00 C ATOM 226 O LYS A 389 -4.712 -1.266 2.976 1.00 0.00 O ATOM 227 CB LYS A 389 -5.402 1.711 1.727 1.00 0.00 C ATOM 228 CG LYS A 389 -6.586 1.263 0.885 1.00 0.00 C ATOM 229 CD LYS A 389 -6.559 -0.237 0.637 1.00 0.00 C ATOM 230 CE LYS A 389 -7.607 -0.958 1.469 1.00 0.00 C ATOM 231 NZ LYS A 389 -7.165 -2.327 1.855 1.00 0.00 N ATOM 0 H LYS A 389 -4.830 2.969 3.769 1.00 0.00 H new ATOM 0 HA LYS A 389 -6.331 0.649 3.341 1.00 0.00 H new ATOM 0 HB2 LYS A 389 -5.447 2.793 1.855 1.00 0.00 H new ATOM 0 HB3 LYS A 389 -4.480 1.491 1.188 1.00 0.00 H new ATOM 0 HG2 LYS A 389 -7.514 1.533 1.388 1.00 0.00 H new ATOM 0 HG3 LYS A 389 -6.576 1.791 -0.069 1.00 0.00 H new ATOM 0 HD2 LYS A 389 -6.733 -0.435 -0.421 1.00 0.00 H new ATOM 0 HD3 LYS A 389 -5.570 -0.629 0.876 1.00 0.00 H new ATOM 0 HE2 LYS A 389 -7.819 -0.378 2.367 1.00 0.00 H new ATOM 0 HE3 LYS A 389 -8.537 -1.023 0.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 389 -7.834 -2.727 2.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 389 -7.134 -2.933 1.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 389 -6.218 -2.279 2.281 1.00 0.00 H new ATOM 245 N VAL A 390 -3.061 0.246 3.237 1.00 0.00 N ATOM 246 CA VAL A 390 -2.004 -0.752 3.260 1.00 0.00 C ATOM 247 C VAL A 390 -2.138 -1.633 4.495 1.00 0.00 C ATOM 248 O VAL A 390 -1.910 -2.840 4.438 1.00 0.00 O ATOM 249 CB VAL A 390 -0.606 -0.101 3.249 1.00 0.00 C ATOM 250 CG1 VAL A 390 0.482 -1.164 3.212 1.00 0.00 C ATOM 251 CG2 VAL A 390 -0.471 0.850 2.068 1.00 0.00 C ATOM 0 H VAL A 390 -2.736 1.208 3.337 1.00 0.00 H new ATOM 0 HA VAL A 390 -2.109 -1.358 2.360 1.00 0.00 H new ATOM 0 HB VAL A 390 -0.487 0.474 4.168 1.00 0.00 H new ATOM 0 HG11 VAL A 390 1.460 -0.683 3.205 1.00 0.00 H new ATOM 0 HG12 VAL A 390 0.398 -1.802 4.092 1.00 0.00 H new ATOM 0 HG13 VAL A 390 0.369 -1.770 2.313 1.00 0.00 H new ATOM 0 HG21 VAL A 390 0.521 1.301 2.075 1.00 0.00 H new ATOM 0 HG22 VAL A 390 -0.612 0.298 1.139 1.00 0.00 H new ATOM 0 HG23 VAL A 390 -1.226 1.633 2.143 1.00 0.00 H new ATOM 261 N GLN A 391 -2.526 -1.020 5.611 1.00 0.00 N ATOM 262 CA GLN A 391 -2.710 -1.754 6.857 1.00 0.00 C ATOM 263 C GLN A 391 -3.754 -2.848 6.668 1.00 0.00 C ATOM 264 O GLN A 391 -3.500 -4.023 6.941 1.00 0.00 O ATOM 265 CB GLN A 391 -3.139 -0.805 7.979 1.00 0.00 C ATOM 266 CG GLN A 391 -2.043 0.152 8.418 1.00 0.00 C ATOM 267 CD GLN A 391 -1.399 -0.260 9.727 1.00 0.00 C ATOM 268 OE1 GLN A 391 -2.022 -0.195 10.786 1.00 0.00 O ATOM 269 NE2 GLN A 391 -0.144 -0.688 9.659 1.00 0.00 N ATOM 0 H GLN A 391 -2.718 -0.020 5.676 1.00 0.00 H new ATOM 0 HA GLN A 391 -1.761 -2.213 7.135 1.00 0.00 H new ATOM 0 HB2 GLN A 391 -4.002 -0.228 7.646 1.00 0.00 H new ATOM 0 HB3 GLN A 391 -3.462 -1.393 8.838 1.00 0.00 H new ATOM 0 HG2 GLN A 391 -1.279 0.204 7.642 1.00 0.00 H new ATOM 0 HG3 GLN A 391 -2.460 1.153 8.522 1.00 0.00 H new ATOM 0 HE21 GLN A 391 0.334 -0.725 8.759 1.00 0.00 H new ATOM 0 HE22 GLN A 391 0.342 -0.980 10.507 1.00 0.00 H new ATOM 278 N TYR A 392 -4.927 -2.454 6.175 1.00 0.00 N ATOM 279 CA TYR A 392 -6.003 -3.405 5.926 1.00 0.00 C ATOM 280 C TYR A 392 -5.523 -4.491 4.970 1.00 0.00 C ATOM 281 O TYR A 392 -5.735 -5.683 5.204 1.00 0.00 O ATOM 282 CB TYR A 392 -7.224 -2.693 5.342 1.00 0.00 C ATOM 283 CG TYR A 392 -7.617 -1.447 6.102 1.00 0.00 C ATOM 284 CD1 TYR A 392 -7.726 -1.458 7.487 1.00 0.00 C ATOM 285 CD2 TYR A 392 -7.881 -0.257 5.433 1.00 0.00 C ATOM 286 CE1 TYR A 392 -8.086 -0.322 8.184 1.00 0.00 C ATOM 287 CE2 TYR A 392 -8.240 0.885 6.124 1.00 0.00 C ATOM 288 CZ TYR A 392 -8.343 0.847 7.499 1.00 0.00 C ATOM 289 OH TYR A 392 -8.700 1.982 8.190 1.00 0.00 O ATOM 0 H TYR A 392 -5.154 -1.487 5.942 1.00 0.00 H new ATOM 0 HA TYR A 392 -6.291 -3.863 6.872 1.00 0.00 H new ATOM 0 HB2 TYR A 392 -7.018 -2.427 4.305 1.00 0.00 H new ATOM 0 HB3 TYR A 392 -8.067 -3.384 5.332 1.00 0.00 H new ATOM 0 HD1 TYR A 392 -7.526 -2.371 8.028 1.00 0.00 H new ATOM 0 HD2 TYR A 392 -7.804 -0.224 4.356 1.00 0.00 H new ATOM 0 HE1 TYR A 392 -8.166 -0.349 9.261 1.00 0.00 H new ATOM 0 HE2 TYR A 392 -8.439 1.802 5.590 1.00 0.00 H new ATOM 0 HH TYR A 392 -8.845 2.717 7.559 1.00 0.00 H new ATOM 299 N LEU A 393 -4.855 -4.068 3.901 1.00 0.00 N ATOM 300 CA LEU A 393 -4.321 -4.999 2.919 1.00 0.00 C ATOM 301 C LEU A 393 -3.285 -5.904 3.573 1.00 0.00 C ATOM 302 O LEU A 393 -3.173 -7.084 3.237 1.00 0.00 O ATOM 303 CB LEU A 393 -3.696 -4.240 1.747 1.00 0.00 C ATOM 304 CG LEU A 393 -4.590 -4.108 0.511 1.00 0.00 C ATOM 305 CD1 LEU A 393 -4.459 -2.720 -0.100 1.00 0.00 C ATOM 306 CD2 LEU A 393 -4.244 -5.181 -0.513 1.00 0.00 C ATOM 0 H LEU A 393 -4.672 -3.086 3.695 1.00 0.00 H new ATOM 0 HA LEU A 393 -5.137 -5.612 2.536 1.00 0.00 H new ATOM 0 HB2 LEU A 393 -3.421 -3.241 2.086 1.00 0.00 H new ATOM 0 HB3 LEU A 393 -2.774 -4.744 1.458 1.00 0.00 H new ATOM 0 HG LEU A 393 -5.626 -4.248 0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 393 -5.102 -2.646 -0.977 1.00 0.00 H new ATOM 0 HD12 LEU A 393 -4.757 -1.970 0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 393 -3.424 -2.548 -0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 393 -4.889 -5.073 -1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 393 -3.203 -5.073 -0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 393 -4.393 -6.167 -0.072 1.00 0.00 H new ATOM 318 N GLU A 394 -2.543 -5.345 4.526 1.00 0.00 N ATOM 319 CA GLU A 394 -1.527 -6.100 5.247 1.00 0.00 C ATOM 320 C GLU A 394 -2.175 -7.268 5.978 1.00 0.00 C ATOM 321 O GLU A 394 -1.707 -8.404 5.901 1.00 0.00 O ATOM 322 CB GLU A 394 -0.795 -5.197 6.241 1.00 0.00 C ATOM 323 CG GLU A 394 0.601 -5.687 6.593 1.00 0.00 C ATOM 324 CD GLU A 394 1.442 -4.617 7.260 1.00 0.00 C ATOM 325 OE1 GLU A 394 1.116 -4.233 8.404 1.00 0.00 O ATOM 326 OE2 GLU A 394 2.428 -4.164 6.641 1.00 0.00 O ATOM 0 H GLU A 394 -2.628 -4.371 4.816 1.00 0.00 H new ATOM 0 HA GLU A 394 -0.801 -6.485 4.531 1.00 0.00 H new ATOM 0 HB2 GLU A 394 -0.724 -4.193 5.823 1.00 0.00 H new ATOM 0 HB3 GLU A 394 -1.386 -5.121 7.154 1.00 0.00 H new ATOM 0 HG2 GLU A 394 0.523 -6.549 7.256 1.00 0.00 H new ATOM 0 HG3 GLU A 394 1.103 -6.026 5.687 1.00 0.00 H new ATOM 333 N GLN A 395 -3.270 -6.981 6.674 1.00 0.00 N ATOM 334 CA GLN A 395 -3.998 -8.011 7.399 1.00 0.00 C ATOM 335 C GLN A 395 -4.547 -9.040 6.419 1.00 0.00 C ATOM 336 O GLN A 395 -4.516 -10.245 6.678 1.00 0.00 O ATOM 337 CB GLN A 395 -5.139 -7.393 8.210 1.00 0.00 C ATOM 338 CG GLN A 395 -5.939 -8.407 9.008 1.00 0.00 C ATOM 339 CD GLN A 395 -7.277 -7.863 9.470 1.00 0.00 C ATOM 340 OE1 GLN A 395 -7.387 -6.699 9.853 1.00 0.00 O ATOM 341 NE2 GLN A 395 -8.303 -8.705 9.434 1.00 0.00 N ATOM 0 H GLN A 395 -3.670 -6.046 6.750 1.00 0.00 H new ATOM 0 HA GLN A 395 -3.314 -8.504 8.090 1.00 0.00 H new ATOM 0 HB2 GLN A 395 -4.727 -6.650 8.893 1.00 0.00 H new ATOM 0 HB3 GLN A 395 -5.810 -6.866 7.532 1.00 0.00 H new ATOM 0 HG2 GLN A 395 -6.103 -9.295 8.398 1.00 0.00 H new ATOM 0 HG3 GLN A 395 -5.359 -8.719 9.876 1.00 0.00 H new ATOM 0 HE21 GLN A 395 -8.166 -9.662 9.109 1.00 0.00 H new ATOM 0 HE22 GLN A 395 -9.228 -8.395 9.731 1.00 0.00 H new ATOM 350 N GLU A 396 -5.041 -8.553 5.283 1.00 0.00 N ATOM 351 CA GLU A 396 -5.587 -9.423 4.249 1.00 0.00 C ATOM 352 C GLU A 396 -4.524 -10.398 3.754 1.00 0.00 C ATOM 353 O GLU A 396 -4.725 -11.612 3.778 1.00 0.00 O ATOM 354 CB GLU A 396 -6.120 -8.591 3.082 1.00 0.00 C ATOM 355 CG GLU A 396 -6.860 -9.411 2.039 1.00 0.00 C ATOM 356 CD GLU A 396 -8.366 -9.342 2.206 1.00 0.00 C ATOM 357 OE1 GLU A 396 -8.826 -9.023 3.322 1.00 0.00 O ATOM 358 OE2 GLU A 396 -9.085 -9.606 1.219 1.00 0.00 O ATOM 0 H GLU A 396 -5.074 -7.559 5.057 1.00 0.00 H new ATOM 0 HA GLU A 396 -6.410 -9.994 4.679 1.00 0.00 H new ATOM 0 HB2 GLU A 396 -6.789 -7.823 3.470 1.00 0.00 H new ATOM 0 HB3 GLU A 396 -5.287 -8.076 2.603 1.00 0.00 H new ATOM 0 HG2 GLU A 396 -6.591 -9.055 1.044 1.00 0.00 H new ATOM 0 HG3 GLU A 396 -6.538 -10.450 2.103 1.00 0.00 H new ATOM 365 N VAL A 397 -3.389 -9.859 3.316 1.00 0.00 N ATOM 366 CA VAL A 397 -2.295 -10.690 2.827 1.00 0.00 C ATOM 367 C VAL A 397 -1.836 -11.657 3.911 1.00 0.00 C ATOM 368 O VAL A 397 -1.475 -12.799 3.628 1.00 0.00 O ATOM 369 CB VAL A 397 -1.096 -9.842 2.359 1.00 0.00 C ATOM 370 CG1 VAL A 397 -1.479 -8.993 1.157 1.00 0.00 C ATOM 371 CG2 VAL A 397 -0.578 -8.971 3.493 1.00 0.00 C ATOM 0 H VAL A 397 -3.204 -8.856 3.290 1.00 0.00 H new ATOM 0 HA VAL A 397 -2.674 -11.249 1.971 1.00 0.00 H new ATOM 0 HB VAL A 397 -0.295 -10.517 2.058 1.00 0.00 H new ATOM 0 HG11 VAL A 397 -0.620 -8.401 0.841 1.00 0.00 H new ATOM 0 HG12 VAL A 397 -1.794 -9.641 0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 397 -2.298 -8.327 1.428 1.00 0.00 H new ATOM 0 HG21 VAL A 397 0.268 -8.381 3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 397 -1.371 -8.303 3.830 1.00 0.00 H new ATOM 0 HG23 VAL A 397 -0.259 -9.604 4.321 1.00 0.00 H new ATOM 381 N GLU A 398 -1.864 -11.194 5.158 1.00 0.00 N ATOM 382 CA GLU A 398 -1.468 -12.025 6.287 1.00 0.00 C ATOM 383 C GLU A 398 -2.401 -13.224 6.402 1.00 0.00 C ATOM 384 O GLU A 398 -1.965 -14.343 6.676 1.00 0.00 O ATOM 385 CB GLU A 398 -1.490 -11.212 7.583 1.00 0.00 C ATOM 386 CG GLU A 398 -0.506 -11.707 8.629 1.00 0.00 C ATOM 387 CD GLU A 398 -0.154 -10.642 9.648 1.00 0.00 C ATOM 388 OE1 GLU A 398 -0.880 -10.524 10.658 1.00 0.00 O ATOM 389 OE2 GLU A 398 0.847 -9.926 9.436 1.00 0.00 O ATOM 0 H GLU A 398 -2.156 -10.250 5.410 1.00 0.00 H new ATOM 0 HA GLU A 398 -0.451 -12.381 6.120 1.00 0.00 H new ATOM 0 HB2 GLU A 398 -1.268 -10.170 7.352 1.00 0.00 H new ATOM 0 HB3 GLU A 398 -2.496 -11.239 8.002 1.00 0.00 H new ATOM 0 HG2 GLU A 398 -0.931 -12.570 9.142 1.00 0.00 H new ATOM 0 HG3 GLU A 398 0.404 -12.046 8.134 1.00 0.00 H new ATOM 396 N GLU A 399 -3.687 -12.978 6.181 1.00 0.00 N ATOM 397 CA GLU A 399 -4.693 -14.033 6.244 1.00 0.00 C ATOM 398 C GLU A 399 -4.804 -14.764 4.907 1.00 0.00 C ATOM 399 O GLU A 399 -5.418 -15.827 4.822 1.00 0.00 O ATOM 400 CB GLU A 399 -6.051 -13.447 6.634 1.00 0.00 C ATOM 401 CG GLU A 399 -6.303 -13.437 8.133 1.00 0.00 C ATOM 402 CD GLU A 399 -7.743 -13.757 8.485 1.00 0.00 C ATOM 403 OE1 GLU A 399 -8.127 -14.942 8.395 1.00 0.00 O ATOM 404 OE2 GLU A 399 -8.486 -12.823 8.848 1.00 0.00 O ATOM 0 H GLU A 399 -4.059 -12.055 5.956 1.00 0.00 H new ATOM 0 HA GLU A 399 -4.383 -14.751 7.003 1.00 0.00 H new ATOM 0 HB2 GLU A 399 -6.119 -12.427 6.256 1.00 0.00 H new ATOM 0 HB3 GLU A 399 -6.839 -14.021 6.146 1.00 0.00 H new ATOM 0 HG2 GLU A 399 -5.646 -14.162 8.613 1.00 0.00 H new ATOM 0 HG3 GLU A 399 -6.044 -12.457 8.535 1.00 0.00 H new ATOM 411 N PHE A 400 -4.204 -14.189 3.863 1.00 0.00 N ATOM 412 CA PHE A 400 -4.233 -14.785 2.528 1.00 0.00 C ATOM 413 C PHE A 400 -3.910 -16.277 2.588 1.00 0.00 C ATOM 414 O PHE A 400 -2.914 -16.684 3.188 1.00 0.00 O ATOM 415 CB PHE A 400 -3.240 -14.067 1.610 1.00 0.00 C ATOM 416 CG PHE A 400 -3.199 -14.615 0.210 1.00 0.00 C ATOM 417 CD1 PHE A 400 -4.201 -14.311 -0.700 1.00 0.00 C ATOM 418 CD2 PHE A 400 -2.159 -15.437 -0.195 1.00 0.00 C ATOM 419 CE1 PHE A 400 -4.165 -14.816 -1.982 1.00 0.00 C ATOM 420 CE2 PHE A 400 -2.120 -15.945 -1.478 1.00 0.00 C ATOM 421 CZ PHE A 400 -3.125 -15.636 -2.373 1.00 0.00 C ATOM 0 H PHE A 400 -3.691 -13.309 3.918 1.00 0.00 H new ATOM 0 HA PHE A 400 -5.239 -14.671 2.125 1.00 0.00 H new ATOM 0 HB2 PHE A 400 -3.498 -13.009 1.568 1.00 0.00 H new ATOM 0 HB3 PHE A 400 -2.243 -14.135 2.046 1.00 0.00 H new ATOM 0 HD1 PHE A 400 -5.018 -13.672 -0.401 1.00 0.00 H new ATOM 0 HD2 PHE A 400 -1.370 -15.683 0.501 1.00 0.00 H new ATOM 0 HE1 PHE A 400 -4.951 -14.570 -2.681 1.00 0.00 H new ATOM 0 HE2 PHE A 400 -1.304 -16.584 -1.782 1.00 0.00 H new ATOM 0 HZ PHE A 400 -3.098 -16.035 -3.376 1.00 0.00 H new ATOM 431 N VAL A 401 -4.764 -17.090 1.969 1.00 0.00 N ATOM 432 CA VAL A 401 -4.580 -18.539 1.954 1.00 0.00 C ATOM 433 C VAL A 401 -3.138 -18.919 1.622 1.00 0.00 C ATOM 434 O VAL A 401 -2.536 -19.754 2.295 1.00 0.00 O ATOM 435 CB VAL A 401 -5.531 -19.214 0.944 1.00 0.00 C ATOM 436 CG1 VAL A 401 -5.276 -18.693 -0.462 1.00 0.00 C ATOM 437 CG2 VAL A 401 -5.384 -20.729 0.995 1.00 0.00 C ATOM 0 H VAL A 401 -5.593 -16.768 1.470 1.00 0.00 H new ATOM 0 HA VAL A 401 -4.815 -18.895 2.957 1.00 0.00 H new ATOM 0 HB VAL A 401 -6.556 -18.964 1.219 1.00 0.00 H new ATOM 0 HG11 VAL A 401 -5.956 -19.181 -1.160 1.00 0.00 H new ATOM 0 HG12 VAL A 401 -5.442 -17.616 -0.487 1.00 0.00 H new ATOM 0 HG13 VAL A 401 -4.247 -18.908 -0.749 1.00 0.00 H new ATOM 0 HG21 VAL A 401 -6.064 -21.185 0.275 1.00 0.00 H new ATOM 0 HG22 VAL A 401 -4.358 -21.003 0.750 1.00 0.00 H new ATOM 0 HG23 VAL A 401 -5.625 -21.084 1.997 1.00 0.00 H new ATOM 447 N GLY A 402 -2.592 -18.298 0.582 1.00 0.00 N ATOM 448 CA GLY A 402 -1.225 -18.583 0.183 1.00 0.00 C ATOM 449 C GLY A 402 -1.124 -19.124 -1.230 1.00 0.00 C ATOM 450 O GLY A 402 -0.147 -19.788 -1.578 1.00 0.00 O ATOM 0 H GLY A 402 -3.070 -17.603 0.009 1.00 0.00 H new ATOM 0 HA2 GLY A 402 -0.631 -17.672 0.261 1.00 0.00 H new ATOM 0 HA3 GLY A 402 -0.793 -19.306 0.875 1.00 0.00 H new ATOM 454 N LYS A 403 -2.132 -18.841 -2.051 1.00 0.00 N ATOM 455 CA LYS A 403 -2.144 -19.306 -3.432 1.00 0.00 C ATOM 456 C LYS A 403 -2.867 -18.309 -4.333 1.00 0.00 C ATOM 457 O LYS A 403 -4.017 -17.951 -4.082 1.00 0.00 O ATOM 458 CB LYS A 403 -2.813 -20.679 -3.524 1.00 0.00 C ATOM 459 CG LYS A 403 -2.096 -21.643 -4.454 1.00 0.00 C ATOM 460 CD LYS A 403 -1.132 -22.537 -3.692 1.00 0.00 C ATOM 461 CE LYS A 403 -1.811 -23.812 -3.219 1.00 0.00 C ATOM 462 NZ LYS A 403 -1.355 -24.212 -1.859 1.00 0.00 N ATOM 0 H LYS A 403 -2.949 -18.293 -1.783 1.00 0.00 H new ATOM 0 HA LYS A 403 -1.112 -19.392 -3.772 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -2.862 -21.118 -2.527 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -3.840 -20.552 -3.867 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -2.828 -22.258 -4.977 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -1.551 -21.081 -5.213 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -0.286 -22.790 -4.331 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -0.733 -21.996 -2.834 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -2.891 -23.667 -3.212 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -1.602 -24.617 -3.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -1.841 -25.086 -1.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -0.328 -24.375 -1.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -1.577 -23.455 -1.182 1.00 0.00 H new ATOM 476 N LYS A 404 -2.184 -17.865 -5.383 1.00 0.00 N ATOM 477 CA LYS A 404 -2.759 -16.907 -6.320 1.00 0.00 C ATOM 478 C LYS A 404 -3.853 -17.559 -7.165 1.00 0.00 C ATOM 479 O LYS A 404 -3.720 -17.685 -8.382 1.00 0.00 O ATOM 480 CB LYS A 404 -1.668 -16.334 -7.229 1.00 0.00 C ATOM 481 CG LYS A 404 -1.000 -17.378 -8.111 1.00 0.00 C ATOM 482 CD LYS A 404 -1.163 -17.050 -9.587 1.00 0.00 C ATOM 483 CE LYS A 404 -0.222 -15.937 -10.017 1.00 0.00 C ATOM 484 NZ LYS A 404 1.131 -16.454 -10.363 1.00 0.00 N ATOM 0 H LYS A 404 -1.231 -18.153 -5.606 1.00 0.00 H new ATOM 0 HA LYS A 404 -3.206 -16.096 -5.744 1.00 0.00 H new ATOM 0 HB2 LYS A 404 -2.103 -15.561 -7.862 1.00 0.00 H new ATOM 0 HB3 LYS A 404 -0.909 -15.852 -6.613 1.00 0.00 H new ATOM 0 HG2 LYS A 404 0.060 -17.438 -7.866 1.00 0.00 H new ATOM 0 HG3 LYS A 404 -1.430 -18.358 -7.906 1.00 0.00 H new ATOM 0 HD2 LYS A 404 -0.969 -17.942 -10.183 1.00 0.00 H new ATOM 0 HD3 LYS A 404 -2.193 -16.753 -9.783 1.00 0.00 H new ATOM 0 HE2 LYS A 404 -0.643 -15.418 -10.878 1.00 0.00 H new ATOM 0 HE3 LYS A 404 -0.136 -15.204 -9.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 404 1.742 -15.663 -10.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 404 1.544 -16.927 -9.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 404 1.053 -17.134 -11.146 1.00 0.00 H new ATOM 498 N THR A 405 -4.932 -17.972 -6.508 1.00 0.00 N ATOM 499 CA THR A 405 -6.047 -18.613 -7.198 1.00 0.00 C ATOM 500 C THR A 405 -7.384 -18.001 -6.781 1.00 0.00 C ATOM 501 O THR A 405 -8.325 -17.952 -7.572 1.00 0.00 O ATOM 502 CB THR A 405 -6.052 -20.115 -6.914 1.00 0.00 C ATOM 503 OG1 THR A 405 -4.730 -20.610 -6.809 1.00 0.00 O ATOM 504 CG2 THR A 405 -6.762 -20.923 -7.979 1.00 0.00 C ATOM 0 H THR A 405 -5.058 -17.875 -5.501 1.00 0.00 H new ATOM 0 HA THR A 405 -5.916 -18.449 -8.268 1.00 0.00 H new ATOM 0 HB THR A 405 -6.592 -20.229 -5.974 1.00 0.00 H new ATOM 0 HG1 THR A 405 -4.755 -21.572 -6.625 1.00 0.00 H new ATOM 0 HG21 THR A 405 -6.729 -21.980 -7.716 1.00 0.00 H new ATOM 0 HG22 THR A 405 -7.800 -20.599 -8.050 1.00 0.00 H new ATOM 0 HG23 THR A 405 -6.269 -20.772 -8.939 1.00 0.00 H new ATOM 512 N ASP A 406 -7.462 -17.537 -5.538 1.00 0.00 N ATOM 513 CA ASP A 406 -8.686 -16.933 -5.023 1.00 0.00 C ATOM 514 C ASP A 406 -8.739 -15.444 -5.352 1.00 0.00 C ATOM 515 O ASP A 406 -7.719 -14.827 -5.659 1.00 0.00 O ATOM 516 CB ASP A 406 -8.782 -17.137 -3.510 1.00 0.00 C ATOM 517 CG ASP A 406 -10.075 -16.592 -2.933 1.00 0.00 C ATOM 518 OD1 ASP A 406 -10.167 -15.362 -2.742 1.00 0.00 O ATOM 519 OD2 ASP A 406 -10.993 -17.397 -2.674 1.00 0.00 O ATOM 0 H ASP A 406 -6.693 -17.568 -4.869 1.00 0.00 H new ATOM 0 HA ASP A 406 -9.533 -17.423 -5.503 1.00 0.00 H new ATOM 0 HB2 ASP A 406 -8.707 -18.201 -3.284 1.00 0.00 H new ATOM 0 HB3 ASP A 406 -7.937 -16.648 -3.026 1.00 0.00 H new ATOM 524 N LYS A 407 -9.938 -14.871 -5.285 1.00 0.00 N ATOM 525 CA LYS A 407 -10.127 -13.454 -5.573 1.00 0.00 C ATOM 526 C LYS A 407 -9.302 -12.583 -4.631 1.00 0.00 C ATOM 527 O LYS A 407 -9.024 -11.420 -4.930 1.00 0.00 O ATOM 528 CB LYS A 407 -11.608 -13.084 -5.462 1.00 0.00 C ATOM 529 CG LYS A 407 -12.531 -14.038 -6.204 1.00 0.00 C ATOM 530 CD LYS A 407 -13.379 -14.857 -5.245 1.00 0.00 C ATOM 531 CE LYS A 407 -14.635 -15.384 -5.921 1.00 0.00 C ATOM 532 NZ LYS A 407 -15.076 -16.681 -5.340 1.00 0.00 N ATOM 0 H LYS A 407 -10.793 -15.367 -5.034 1.00 0.00 H new ATOM 0 HA LYS A 407 -9.786 -13.272 -6.592 1.00 0.00 H new ATOM 0 HB2 LYS A 407 -11.891 -13.063 -4.410 1.00 0.00 H new ATOM 0 HB3 LYS A 407 -11.752 -12.076 -5.851 1.00 0.00 H new ATOM 0 HG2 LYS A 407 -13.180 -13.471 -6.871 1.00 0.00 H new ATOM 0 HG3 LYS A 407 -11.938 -14.707 -6.828 1.00 0.00 H new ATOM 0 HD2 LYS A 407 -12.793 -15.693 -4.862 1.00 0.00 H new ATOM 0 HD3 LYS A 407 -13.656 -14.243 -4.388 1.00 0.00 H new ATOM 0 HE2 LYS A 407 -15.435 -14.651 -5.822 1.00 0.00 H new ATOM 0 HE3 LYS A 407 -14.448 -15.509 -6.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 407 -15.935 -17.006 -5.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 407 -14.322 -17.388 -5.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 407 -15.279 -16.557 -4.328 1.00 0.00 H new ATOM 546 N ALA A 408 -8.911 -13.149 -3.492 1.00 0.00 N ATOM 547 CA ALA A 408 -8.117 -12.420 -2.509 1.00 0.00 C ATOM 548 C ALA A 408 -6.872 -11.809 -3.145 1.00 0.00 C ATOM 549 O ALA A 408 -6.670 -10.597 -3.093 1.00 0.00 O ATOM 550 CB ALA A 408 -7.727 -13.339 -1.361 1.00 0.00 C ATOM 0 H ALA A 408 -9.131 -14.109 -3.228 1.00 0.00 H new ATOM 0 HA ALA A 408 -8.728 -11.606 -2.120 1.00 0.00 H new ATOM 0 HB1 ALA A 408 -7.135 -12.783 -0.635 1.00 0.00 H new ATOM 0 HB2 ALA A 408 -8.627 -13.721 -0.879 1.00 0.00 H new ATOM 0 HB3 ALA A 408 -7.139 -14.173 -1.746 1.00 0.00 H new ATOM 556 N TYR A 409 -6.042 -12.653 -3.747 1.00 0.00 N ATOM 557 CA TYR A 409 -4.818 -12.189 -4.391 1.00 0.00 C ATOM 558 C TYR A 409 -5.128 -11.161 -5.475 1.00 0.00 C ATOM 559 O TYR A 409 -4.381 -10.199 -5.663 1.00 0.00 O ATOM 560 CB TYR A 409 -4.049 -13.365 -4.988 1.00 0.00 C ATOM 561 CG TYR A 409 -2.573 -13.093 -5.172 1.00 0.00 C ATOM 562 CD1 TYR A 409 -1.785 -12.678 -4.104 1.00 0.00 C ATOM 563 CD2 TYR A 409 -1.967 -13.250 -6.412 1.00 0.00 C ATOM 564 CE1 TYR A 409 -0.437 -12.426 -4.268 1.00 0.00 C ATOM 565 CE2 TYR A 409 -0.619 -13.001 -6.582 1.00 0.00 C ATOM 566 CZ TYR A 409 0.142 -12.589 -5.509 1.00 0.00 C ATOM 567 OH TYR A 409 1.485 -12.341 -5.676 1.00 0.00 O ATOM 0 H TYR A 409 -6.193 -13.660 -3.803 1.00 0.00 H new ATOM 0 HA TYR A 409 -4.198 -11.712 -3.632 1.00 0.00 H new ATOM 0 HB2 TYR A 409 -4.172 -14.234 -4.342 1.00 0.00 H new ATOM 0 HB3 TYR A 409 -4.486 -13.621 -5.953 1.00 0.00 H new ATOM 0 HD1 TYR A 409 -2.235 -12.551 -3.130 1.00 0.00 H new ATOM 0 HD2 TYR A 409 -2.559 -13.572 -7.256 1.00 0.00 H new ATOM 0 HE1 TYR A 409 0.161 -12.103 -3.429 1.00 0.00 H new ATOM 0 HE2 TYR A 409 -0.163 -13.129 -7.553 1.00 0.00 H new ATOM 0 HH TYR A 409 1.734 -12.505 -6.610 1.00 0.00 H new ATOM 577 N TRP A 410 -6.238 -11.362 -6.180 1.00 0.00 N ATOM 578 CA TRP A 410 -6.645 -10.441 -7.235 1.00 0.00 C ATOM 579 C TRP A 410 -6.786 -9.031 -6.676 1.00 0.00 C ATOM 580 O TRP A 410 -6.042 -8.124 -7.049 1.00 0.00 O ATOM 581 CB TRP A 410 -7.974 -10.877 -7.852 1.00 0.00 C ATOM 582 CG TRP A 410 -7.929 -12.226 -8.501 1.00 0.00 C ATOM 583 CD1 TRP A 410 -6.819 -12.965 -8.794 1.00 0.00 C ATOM 584 CD2 TRP A 410 -9.053 -12.995 -8.939 1.00 0.00 C ATOM 585 NE1 TRP A 410 -7.186 -14.149 -9.388 1.00 0.00 N ATOM 586 CE2 TRP A 410 -8.552 -14.191 -9.488 1.00 0.00 C ATOM 587 CE3 TRP A 410 -10.434 -12.787 -8.919 1.00 0.00 C ATOM 588 CZ2 TRP A 410 -9.386 -15.174 -10.013 1.00 0.00 C ATOM 589 CZ3 TRP A 410 -11.262 -13.764 -9.439 1.00 0.00 C ATOM 590 CH2 TRP A 410 -10.736 -14.944 -9.979 1.00 0.00 C ATOM 0 H TRP A 410 -6.869 -12.151 -6.040 1.00 0.00 H new ATOM 0 HA TRP A 410 -5.876 -10.451 -8.008 1.00 0.00 H new ATOM 0 HB2 TRP A 410 -8.739 -10.884 -7.075 1.00 0.00 H new ATOM 0 HB3 TRP A 410 -8.279 -10.138 -8.593 1.00 0.00 H new ATOM 0 HD1 TRP A 410 -5.802 -12.664 -8.589 1.00 0.00 H new ATOM 0 HE1 TRP A 410 -6.546 -14.878 -9.703 1.00 0.00 H new ATOM 0 HE3 TRP A 410 -10.847 -11.879 -8.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 410 -8.984 -16.085 -10.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 410 -12.332 -13.615 -9.429 1.00 0.00 H new ATOM 0 HH2 TRP A 410 -11.409 -15.689 -10.377 1.00 0.00 H new ATOM 601 N LEU A 411 -7.743 -8.862 -5.771 1.00 0.00 N ATOM 602 CA LEU A 411 -7.982 -7.569 -5.146 1.00 0.00 C ATOM 603 C LEU A 411 -6.751 -7.123 -4.363 1.00 0.00 C ATOM 604 O LEU A 411 -6.500 -5.929 -4.206 1.00 0.00 O ATOM 605 CB LEU A 411 -9.199 -7.643 -4.223 1.00 0.00 C ATOM 606 CG LEU A 411 -9.145 -8.744 -3.163 1.00 0.00 C ATOM 607 CD1 LEU A 411 -8.456 -8.241 -1.904 1.00 0.00 C ATOM 608 CD2 LEU A 411 -10.547 -9.243 -2.844 1.00 0.00 C ATOM 0 H LEU A 411 -8.366 -9.605 -5.454 1.00 0.00 H new ATOM 0 HA LEU A 411 -8.181 -6.836 -5.928 1.00 0.00 H new ATOM 0 HB2 LEU A 411 -9.313 -6.682 -3.721 1.00 0.00 H new ATOM 0 HB3 LEU A 411 -10.090 -7.792 -4.833 1.00 0.00 H new ATOM 0 HG LEU A 411 -8.565 -9.577 -3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 411 -8.427 -9.039 -1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 411 -7.439 -7.932 -2.145 1.00 0.00 H new ATOM 0 HD13 LEU A 411 -9.008 -7.391 -1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 411 -10.491 -10.026 -2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 411 -11.150 -8.417 -2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 411 -11.005 -9.644 -3.748 1.00 0.00 H new ATOM 620 N LEU A 412 -5.978 -8.096 -3.881 1.00 0.00 N ATOM 621 CA LEU A 412 -4.764 -7.807 -3.125 1.00 0.00 C ATOM 622 C LEU A 412 -3.822 -6.927 -3.944 1.00 0.00 C ATOM 623 O LEU A 412 -3.610 -5.756 -3.625 1.00 0.00 O ATOM 624 CB LEU A 412 -4.054 -9.110 -2.747 1.00 0.00 C ATOM 625 CG LEU A 412 -4.468 -9.724 -1.406 1.00 0.00 C ATOM 626 CD1 LEU A 412 -3.812 -11.084 -1.216 1.00 0.00 C ATOM 627 CD2 LEU A 412 -4.105 -8.791 -0.264 1.00 0.00 C ATOM 0 H LEU A 412 -6.172 -9.090 -4.002 1.00 0.00 H new ATOM 0 HA LEU A 412 -5.044 -7.275 -2.216 1.00 0.00 H new ATOM 0 HB2 LEU A 412 -4.235 -9.843 -3.533 1.00 0.00 H new ATOM 0 HB3 LEU A 412 -2.980 -8.925 -2.725 1.00 0.00 H new ATOM 0 HG LEU A 412 -5.549 -9.864 -1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 412 -4.118 -11.505 -0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 412 -4.120 -11.752 -2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 412 -2.728 -10.971 -1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 412 -4.405 -9.241 0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 412 -3.028 -8.622 -0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 412 -4.621 -7.840 -0.394 1.00 0.00 H new ATOM 639 N GLU A 413 -3.266 -7.504 -5.004 1.00 0.00 N ATOM 640 CA GLU A 413 -2.351 -6.779 -5.877 1.00 0.00 C ATOM 641 C GLU A 413 -3.046 -5.583 -6.517 1.00 0.00 C ATOM 642 O GLU A 413 -2.465 -4.504 -6.638 1.00 0.00 O ATOM 643 CB GLU A 413 -1.805 -7.709 -6.963 1.00 0.00 C ATOM 644 CG GLU A 413 -0.520 -8.416 -6.570 1.00 0.00 C ATOM 645 CD GLU A 413 -0.089 -9.454 -7.588 1.00 0.00 C ATOM 646 OE1 GLU A 413 -0.792 -10.478 -7.726 1.00 0.00 O ATOM 647 OE2 GLU A 413 0.949 -9.244 -8.248 1.00 0.00 O ATOM 0 H GLU A 413 -3.433 -8.472 -5.279 1.00 0.00 H new ATOM 0 HA GLU A 413 -1.522 -6.414 -5.272 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -2.562 -8.456 -7.204 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -1.629 -7.130 -7.870 1.00 0.00 H new ATOM 0 HG2 GLU A 413 0.274 -7.679 -6.451 1.00 0.00 H new ATOM 0 HG3 GLU A 413 -0.656 -8.897 -5.602 1.00 0.00 H new ATOM 654 N GLU A 414 -4.297 -5.780 -6.923 1.00 0.00 N ATOM 655 CA GLU A 414 -5.076 -4.716 -7.548 1.00 0.00 C ATOM 656 C GLU A 414 -5.169 -3.504 -6.626 1.00 0.00 C ATOM 657 O GLU A 414 -4.818 -2.388 -7.010 1.00 0.00 O ATOM 658 CB GLU A 414 -6.477 -5.216 -7.898 1.00 0.00 C ATOM 659 CG GLU A 414 -6.527 -6.044 -9.173 1.00 0.00 C ATOM 660 CD GLU A 414 -7.906 -6.610 -9.447 1.00 0.00 C ATOM 661 OE1 GLU A 414 -8.663 -6.823 -8.477 1.00 0.00 O ATOM 662 OE2 GLU A 414 -8.229 -6.841 -10.631 1.00 0.00 O ATOM 0 H GLU A 414 -4.793 -6.667 -6.830 1.00 0.00 H new ATOM 0 HA GLU A 414 -4.569 -4.417 -8.465 1.00 0.00 H new ATOM 0 HB2 GLU A 414 -6.857 -5.815 -7.071 1.00 0.00 H new ATOM 0 HB3 GLU A 414 -7.143 -4.360 -8.004 1.00 0.00 H new ATOM 0 HG2 GLU A 414 -6.218 -5.426 -10.016 1.00 0.00 H new ATOM 0 HG3 GLU A 414 -5.811 -6.862 -9.099 1.00 0.00 H new ATOM 669 N MET A 415 -5.641 -3.734 -5.403 1.00 0.00 N ATOM 670 CA MET A 415 -5.773 -2.663 -4.425 1.00 0.00 C ATOM 671 C MET A 415 -4.421 -2.010 -4.160 1.00 0.00 C ATOM 672 O MET A 415 -4.324 -0.788 -4.043 1.00 0.00 O ATOM 673 CB MET A 415 -6.361 -3.201 -3.118 1.00 0.00 C ATOM 674 CG MET A 415 -7.037 -2.136 -2.271 1.00 0.00 C ATOM 675 SD MET A 415 -8.564 -1.527 -3.012 1.00 0.00 S ATOM 676 CE MET A 415 -9.766 -2.616 -2.253 1.00 0.00 C ATOM 0 H MET A 415 -5.937 -4.651 -5.068 1.00 0.00 H new ATOM 0 HA MET A 415 -6.450 -1.912 -4.831 1.00 0.00 H new ATOM 0 HB2 MET A 415 -7.085 -3.983 -3.350 1.00 0.00 H new ATOM 0 HB3 MET A 415 -5.565 -3.666 -2.536 1.00 0.00 H new ATOM 0 HG2 MET A 415 -7.254 -2.545 -1.284 1.00 0.00 H new ATOM 0 HG3 MET A 415 -6.350 -1.302 -2.126 1.00 0.00 H new ATOM 0 HE1 MET A 415 -10.764 -2.364 -2.612 1.00 0.00 H new ATOM 0 HE2 MET A 415 -9.537 -3.649 -2.514 1.00 0.00 H new ATOM 0 HE3 MET A 415 -9.730 -2.499 -1.170 1.00 0.00 H new ATOM 686 N LEU A 416 -3.378 -2.832 -4.075 1.00 0.00 N ATOM 687 CA LEU A 416 -2.031 -2.328 -3.834 1.00 0.00 C ATOM 688 C LEU A 416 -1.619 -1.350 -4.930 1.00 0.00 C ATOM 689 O LEU A 416 -1.108 -0.266 -4.650 1.00 0.00 O ATOM 690 CB LEU A 416 -1.030 -3.488 -3.768 1.00 0.00 C ATOM 691 CG LEU A 416 -0.109 -3.502 -2.540 1.00 0.00 C ATOM 692 CD1 LEU A 416 0.297 -2.090 -2.142 1.00 0.00 C ATOM 693 CD2 LEU A 416 -0.782 -4.217 -1.376 1.00 0.00 C ATOM 0 H LEU A 416 -3.440 -3.846 -4.169 1.00 0.00 H new ATOM 0 HA LEU A 416 -2.030 -1.804 -2.878 1.00 0.00 H new ATOM 0 HB2 LEU A 416 -1.586 -4.425 -3.793 1.00 0.00 H new ATOM 0 HB3 LEU A 416 -0.410 -3.460 -4.664 1.00 0.00 H new ATOM 0 HG LEU A 416 0.797 -4.048 -2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 416 0.949 -2.131 -1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 416 0.827 -1.617 -2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 416 -0.594 -1.509 -1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 416 -0.115 -4.217 -0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 416 -1.707 -3.702 -1.118 1.00 0.00 H new ATOM 0 HD23 LEU A 416 -1.007 -5.245 -1.661 1.00 0.00 H new ATOM 705 N THR A 417 -1.854 -1.741 -6.179 1.00 0.00 N ATOM 706 CA THR A 417 -1.512 -0.903 -7.321 1.00 0.00 C ATOM 707 C THR A 417 -2.263 0.422 -7.263 1.00 0.00 C ATOM 708 O THR A 417 -1.664 1.492 -7.375 1.00 0.00 O ATOM 709 CB THR A 417 -1.835 -1.628 -8.629 1.00 0.00 C ATOM 710 OG1 THR A 417 -1.398 -2.974 -8.578 1.00 0.00 O ATOM 711 CG2 THR A 417 -1.200 -0.985 -9.843 1.00 0.00 C ATOM 0 H THR A 417 -2.281 -2.634 -6.425 1.00 0.00 H new ATOM 0 HA THR A 417 -0.442 -0.698 -7.283 1.00 0.00 H new ATOM 0 HB THR A 417 -2.919 -1.568 -8.731 1.00 0.00 H new ATOM 0 HG1 THR A 417 -2.039 -3.507 -8.063 1.00 0.00 H new ATOM 0 HG21 THR A 417 -1.469 -1.549 -10.736 1.00 0.00 H new ATOM 0 HG22 THR A 417 -1.557 0.040 -9.940 1.00 0.00 H new ATOM 0 HG23 THR A 417 -0.116 -0.983 -9.728 1.00 0.00 H new ATOM 719 N LYS A 418 -3.578 0.344 -7.084 1.00 0.00 N ATOM 720 CA LYS A 418 -4.410 1.542 -7.007 1.00 0.00 C ATOM 721 C LYS A 418 -3.903 2.484 -5.920 1.00 0.00 C ATOM 722 O LYS A 418 -3.775 3.689 -6.135 1.00 0.00 O ATOM 723 CB LYS A 418 -5.867 1.161 -6.732 1.00 0.00 C ATOM 724 CG LYS A 418 -6.723 1.089 -7.986 1.00 0.00 C ATOM 725 CD LYS A 418 -6.925 -0.346 -8.444 1.00 0.00 C ATOM 726 CE LYS A 418 -7.756 -0.413 -9.715 1.00 0.00 C ATOM 727 NZ LYS A 418 -7.643 -1.739 -10.385 1.00 0.00 N ATOM 0 H LYS A 418 -4.090 -0.533 -6.990 1.00 0.00 H new ATOM 0 HA LYS A 418 -4.353 2.057 -7.966 1.00 0.00 H new ATOM 0 HB2 LYS A 418 -5.892 0.195 -6.229 1.00 0.00 H new ATOM 0 HB3 LYS A 418 -6.301 1.889 -6.047 1.00 0.00 H new ATOM 0 HG2 LYS A 418 -7.692 1.550 -7.793 1.00 0.00 H new ATOM 0 HG3 LYS A 418 -6.250 1.663 -8.783 1.00 0.00 H new ATOM 0 HD2 LYS A 418 -5.956 -0.814 -8.617 1.00 0.00 H new ATOM 0 HD3 LYS A 418 -7.418 -0.915 -7.655 1.00 0.00 H new ATOM 0 HE2 LYS A 418 -8.801 -0.215 -9.476 1.00 0.00 H new ATOM 0 HE3 LYS A 418 -7.432 0.369 -10.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 418 -8.224 -1.743 -11.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 418 -6.650 -1.917 -10.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 418 -7.976 -2.484 -9.740 1.00 0.00 H new ATOM 741 N GLU A 419 -3.608 1.919 -4.752 1.00 0.00 N ATOM 742 CA GLU A 419 -3.107 2.704 -3.631 1.00 0.00 C ATOM 743 C GLU A 419 -1.796 3.390 -3.996 1.00 0.00 C ATOM 744 O GLU A 419 -1.589 4.563 -3.684 1.00 0.00 O ATOM 745 CB GLU A 419 -2.907 1.807 -2.406 1.00 0.00 C ATOM 746 CG GLU A 419 -2.351 2.542 -1.198 1.00 0.00 C ATOM 747 CD GLU A 419 -1.074 1.917 -0.670 1.00 0.00 C ATOM 748 OE1 GLU A 419 -1.000 0.671 -0.620 1.00 0.00 O ATOM 749 OE2 GLU A 419 -0.149 2.673 -0.306 1.00 0.00 O ATOM 0 H GLU A 419 -3.708 0.922 -4.559 1.00 0.00 H new ATOM 0 HA GLU A 419 -3.844 3.472 -3.393 1.00 0.00 H new ATOM 0 HB2 GLU A 419 -3.862 1.354 -2.138 1.00 0.00 H new ATOM 0 HB3 GLU A 419 -2.231 0.993 -2.668 1.00 0.00 H new ATOM 0 HG2 GLU A 419 -2.158 3.581 -1.467 1.00 0.00 H new ATOM 0 HG3 GLU A 419 -3.100 2.551 -0.407 1.00 0.00 H new ATOM 756 N LEU A 420 -0.916 2.652 -4.664 1.00 0.00 N ATOM 757 CA LEU A 420 0.375 3.189 -5.078 1.00 0.00 C ATOM 758 C LEU A 420 0.188 4.390 -5.999 1.00 0.00 C ATOM 759 O LEU A 420 0.854 5.414 -5.845 1.00 0.00 O ATOM 760 CB LEU A 420 1.196 2.110 -5.788 1.00 0.00 C ATOM 761 CG LEU A 420 2.650 2.485 -6.077 1.00 0.00 C ATOM 762 CD1 LEU A 420 3.481 1.239 -6.337 1.00 0.00 C ATOM 763 CD2 LEU A 420 2.729 3.437 -7.261 1.00 0.00 C ATOM 0 H LEU A 420 -1.073 1.680 -4.930 1.00 0.00 H new ATOM 0 HA LEU A 420 0.911 3.514 -4.186 1.00 0.00 H new ATOM 0 HB2 LEU A 420 1.185 1.207 -5.178 1.00 0.00 H new ATOM 0 HB3 LEU A 420 0.706 1.864 -6.730 1.00 0.00 H new ATOM 0 HG LEU A 420 3.056 2.991 -5.201 1.00 0.00 H new ATOM 0 HD11 LEU A 420 4.513 1.526 -6.541 1.00 0.00 H new ATOM 0 HD12 LEU A 420 3.451 0.592 -5.460 1.00 0.00 H new ATOM 0 HD13 LEU A 420 3.076 0.705 -7.197 1.00 0.00 H new ATOM 0 HD21 LEU A 420 3.771 3.694 -7.453 1.00 0.00 H new ATOM 0 HD22 LEU A 420 2.305 2.957 -8.143 1.00 0.00 H new ATOM 0 HD23 LEU A 420 2.167 4.344 -7.037 1.00 0.00 H new ATOM 775 N LEU A 421 -0.725 4.257 -6.955 1.00 0.00 N ATOM 776 CA LEU A 421 -1.005 5.331 -7.900 1.00 0.00 C ATOM 777 C LEU A 421 -1.526 6.568 -7.177 1.00 0.00 C ATOM 778 O LEU A 421 -1.086 7.686 -7.443 1.00 0.00 O ATOM 779 CB LEU A 421 -2.022 4.868 -8.945 1.00 0.00 C ATOM 780 CG LEU A 421 -1.421 4.186 -10.179 1.00 0.00 C ATOM 781 CD1 LEU A 421 -1.960 2.772 -10.328 1.00 0.00 C ATOM 782 CD2 LEU A 421 -1.705 5.002 -11.432 1.00 0.00 C ATOM 0 H LEU A 421 -1.284 3.415 -7.096 1.00 0.00 H new ATOM 0 HA LEU A 421 -0.074 5.592 -8.403 1.00 0.00 H new ATOM 0 HB2 LEU A 421 -2.719 4.177 -8.470 1.00 0.00 H new ATOM 0 HB3 LEU A 421 -2.602 5.731 -9.272 1.00 0.00 H new ATOM 0 HG LEU A 421 -0.341 4.127 -10.045 1.00 0.00 H new ATOM 0 HD11 LEU A 421 -1.521 2.306 -11.210 1.00 0.00 H new ATOM 0 HD12 LEU A 421 -1.702 2.189 -9.444 1.00 0.00 H new ATOM 0 HD13 LEU A 421 -3.044 2.805 -10.437 1.00 0.00 H new ATOM 0 HD21 LEU A 421 -1.271 4.502 -12.298 1.00 0.00 H new ATOM 0 HD22 LEU A 421 -2.782 5.095 -11.569 1.00 0.00 H new ATOM 0 HD23 LEU A 421 -1.266 5.994 -11.327 1.00 0.00 H new ATOM 794 N GLU A 422 -2.467 6.358 -6.260 1.00 0.00 N ATOM 795 CA GLU A 422 -3.049 7.458 -5.497 1.00 0.00 C ATOM 796 C GLU A 422 -1.976 8.196 -4.704 1.00 0.00 C ATOM 797 O GLU A 422 -1.945 9.426 -4.678 1.00 0.00 O ATOM 798 CB GLU A 422 -4.128 6.932 -4.551 1.00 0.00 C ATOM 799 CG GLU A 422 -5.506 6.844 -5.188 1.00 0.00 C ATOM 800 CD GLU A 422 -6.495 6.073 -4.335 1.00 0.00 C ATOM 801 OE1 GLU A 422 -6.619 6.394 -3.135 1.00 0.00 O ATOM 802 OE2 GLU A 422 -7.145 5.150 -4.867 1.00 0.00 O ATOM 0 H GLU A 422 -2.842 5.438 -6.028 1.00 0.00 H new ATOM 0 HA GLU A 422 -3.501 8.158 -6.200 1.00 0.00 H new ATOM 0 HB2 GLU A 422 -3.837 5.943 -4.196 1.00 0.00 H new ATOM 0 HB3 GLU A 422 -4.182 7.582 -3.677 1.00 0.00 H new ATOM 0 HG2 GLU A 422 -5.888 7.850 -5.360 1.00 0.00 H new ATOM 0 HG3 GLU A 422 -5.421 6.364 -6.163 1.00 0.00 H new ATOM 809 N LEU A 423 -1.097 7.437 -4.057 1.00 0.00 N ATOM 810 CA LEU A 423 -0.021 8.017 -3.262 1.00 0.00 C ATOM 811 C LEU A 423 0.926 8.830 -4.138 1.00 0.00 C ATOM 812 O LEU A 423 1.332 9.933 -3.775 1.00 0.00 O ATOM 813 CB LEU A 423 0.753 6.916 -2.534 1.00 0.00 C ATOM 814 CG LEU A 423 1.995 7.385 -1.773 1.00 0.00 C ATOM 815 CD1 LEU A 423 1.602 8.059 -0.468 1.00 0.00 C ATOM 816 CD2 LEU A 423 2.932 6.215 -1.512 1.00 0.00 C ATOM 0 H LEU A 423 -1.109 6.417 -4.068 1.00 0.00 H new ATOM 0 HA LEU A 423 -0.466 8.686 -2.525 1.00 0.00 H new ATOM 0 HB2 LEU A 423 0.080 6.425 -1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 423 1.056 6.164 -3.263 1.00 0.00 H new ATOM 0 HG LEU A 423 2.520 8.116 -2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 423 2.499 8.385 0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 423 0.972 8.923 -0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 423 1.053 7.353 0.155 1.00 0.00 H new ATOM 0 HD21 LEU A 423 3.810 6.566 -0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 423 2.416 5.461 -0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 423 3.242 5.778 -2.461 1.00 0.00 H new ATOM 828 N ASP A 424 1.278 8.274 -5.294 1.00 0.00 N ATOM 829 CA ASP A 424 2.180 8.945 -6.222 1.00 0.00 C ATOM 830 C ASP A 424 1.634 10.308 -6.643 1.00 0.00 C ATOM 831 O ASP A 424 2.382 11.168 -7.107 1.00 0.00 O ATOM 832 CB ASP A 424 2.409 8.073 -7.459 1.00 0.00 C ATOM 833 CG ASP A 424 3.833 8.159 -7.972 1.00 0.00 C ATOM 834 OD1 ASP A 424 4.766 8.102 -7.145 1.00 0.00 O ATOM 835 OD2 ASP A 424 4.016 8.284 -9.202 1.00 0.00 O ATOM 0 H ASP A 424 0.952 7.361 -5.609 1.00 0.00 H new ATOM 0 HA ASP A 424 3.129 9.103 -5.709 1.00 0.00 H new ATOM 0 HB2 ASP A 424 2.175 7.036 -7.218 1.00 0.00 H new ATOM 0 HB3 ASP A 424 1.722 8.379 -8.248 1.00 0.00 H new ATOM 840 N SER A 425 0.328 10.501 -6.481 1.00 0.00 N ATOM 841 CA SER A 425 -0.310 11.760 -6.850 1.00 0.00 C ATOM 842 C SER A 425 -0.412 12.701 -5.652 1.00 0.00 C ATOM 843 O SER A 425 -1.406 13.410 -5.492 1.00 0.00 O ATOM 844 CB SER A 425 -1.703 11.498 -7.427 1.00 0.00 C ATOM 845 OG SER A 425 -2.611 11.110 -6.412 1.00 0.00 O ATOM 0 H SER A 425 -0.308 9.802 -6.097 1.00 0.00 H new ATOM 0 HA SER A 425 0.309 12.240 -7.608 1.00 0.00 H new ATOM 0 HB2 SER A 425 -2.070 12.397 -7.923 1.00 0.00 H new ATOM 0 HB3 SER A 425 -1.645 10.717 -8.185 1.00 0.00 H new ATOM 0 HG SER A 425 -2.265 10.319 -5.948 1.00 0.00 H new ATOM 851 N VAL A 426 0.619 12.708 -4.813 1.00 0.00 N ATOM 852 CA VAL A 426 0.638 13.567 -3.635 1.00 0.00 C ATOM 853 C VAL A 426 1.548 14.774 -3.853 1.00 0.00 C ATOM 854 O VAL A 426 2.621 14.656 -4.444 1.00 0.00 O ATOM 855 CB VAL A 426 1.100 12.795 -2.382 1.00 0.00 C ATOM 856 CG1 VAL A 426 2.541 12.331 -2.529 1.00 0.00 C ATOM 857 CG2 VAL A 426 0.934 13.653 -1.138 1.00 0.00 C ATOM 0 H VAL A 426 1.451 12.129 -4.927 1.00 0.00 H new ATOM 0 HA VAL A 426 -0.383 13.913 -3.475 1.00 0.00 H new ATOM 0 HB VAL A 426 0.473 11.910 -2.276 1.00 0.00 H new ATOM 0 HG11 VAL A 426 2.842 11.789 -1.632 1.00 0.00 H new ATOM 0 HG12 VAL A 426 2.625 11.674 -3.395 1.00 0.00 H new ATOM 0 HG13 VAL A 426 3.190 13.196 -2.665 1.00 0.00 H new ATOM 0 HG21 VAL A 426 1.265 13.093 -0.263 1.00 0.00 H new ATOM 0 HG22 VAL A 426 1.533 14.558 -1.238 1.00 0.00 H new ATOM 0 HG23 VAL A 426 -0.115 13.924 -1.020 1.00 0.00 H new ATOM 867 N GLU A 427 1.109 15.936 -3.374 1.00 0.00 N ATOM 868 CA GLU A 427 1.886 17.163 -3.523 1.00 0.00 C ATOM 869 C GLU A 427 2.679 17.471 -2.257 1.00 0.00 C ATOM 870 O GLU A 427 2.336 18.381 -1.502 1.00 0.00 O ATOM 871 CB GLU A 427 0.961 18.336 -3.858 1.00 0.00 C ATOM 872 CG GLU A 427 1.703 19.597 -4.271 1.00 0.00 C ATOM 873 CD GLU A 427 1.030 20.319 -5.421 1.00 0.00 C ATOM 874 OE1 GLU A 427 1.021 19.769 -6.544 1.00 0.00 O ATOM 875 OE2 GLU A 427 0.511 21.433 -5.202 1.00 0.00 O ATOM 0 H GLU A 427 0.223 16.053 -2.882 1.00 0.00 H new ATOM 0 HA GLU A 427 2.592 17.017 -4.340 1.00 0.00 H new ATOM 0 HB2 GLU A 427 0.289 18.040 -4.663 1.00 0.00 H new ATOM 0 HB3 GLU A 427 0.340 18.558 -2.990 1.00 0.00 H new ATOM 0 HG2 GLU A 427 1.773 20.269 -3.416 1.00 0.00 H new ATOM 0 HG3 GLU A 427 2.722 19.337 -4.557 1.00 0.00 H new ATOM 882 N THR A 428 3.745 16.707 -2.032 1.00 0.00 N ATOM 883 CA THR A 428 4.590 16.897 -0.857 1.00 0.00 C ATOM 884 C THR A 428 5.057 18.346 -0.744 1.00 0.00 C ATOM 885 O THR A 428 5.009 18.943 0.331 1.00 0.00 O ATOM 886 CB THR A 428 5.803 15.965 -0.919 1.00 0.00 C ATOM 887 OG1 THR A 428 6.730 16.280 0.103 1.00 0.00 O ATOM 888 CG2 THR A 428 6.538 16.030 -2.241 1.00 0.00 C ATOM 0 H THR A 428 4.044 15.951 -2.648 1.00 0.00 H new ATOM 0 HA THR A 428 3.996 16.657 0.025 1.00 0.00 H new ATOM 0 HB THR A 428 5.402 14.959 -0.792 1.00 0.00 H new ATOM 0 HG1 THR A 428 7.497 15.673 0.047 1.00 0.00 H new ATOM 0 HG21 THR A 428 7.387 15.346 -2.220 1.00 0.00 H new ATOM 0 HG22 THR A 428 5.862 15.745 -3.047 1.00 0.00 H new ATOM 0 HG23 THR A 428 6.895 17.046 -2.409 1.00 0.00 H new ATOM 896 N GLY A 429 5.508 18.907 -1.861 1.00 0.00 N ATOM 897 CA GLY A 429 5.976 20.280 -1.866 1.00 0.00 C ATOM 898 C GLY A 429 7.132 20.504 -0.911 1.00 0.00 C ATOM 899 O GLY A 429 7.325 21.611 -0.411 1.00 0.00 O ATOM 0 H GLY A 429 5.558 18.435 -2.764 1.00 0.00 H new ATOM 0 HA2 GLY A 429 6.285 20.551 -2.875 1.00 0.00 H new ATOM 0 HA3 GLY A 429 5.153 20.942 -1.596 1.00 0.00 H new ATOM 903 N GLY A 430 7.901 19.450 -0.657 1.00 0.00 N ATOM 904 CA GLY A 430 9.033 19.557 0.243 1.00 0.00 C ATOM 905 C GLY A 430 8.614 19.601 1.701 1.00 0.00 C ATOM 906 O GLY A 430 8.829 20.601 2.385 1.00 0.00 O ATOM 0 H GLY A 430 7.760 18.523 -1.059 1.00 0.00 H new ATOM 0 HA2 GLY A 430 9.700 18.709 0.085 1.00 0.00 H new ATOM 0 HA3 GLY A 430 9.600 20.457 0.004 1.00 0.00 H new ATOM 910 N GLN A 431 8.015 18.513 2.175 1.00 0.00 N ATOM 911 CA GLN A 431 7.564 18.430 3.559 1.00 0.00 C ATOM 912 C GLN A 431 8.199 17.237 4.267 1.00 0.00 C ATOM 913 O GLN A 431 8.158 16.113 3.768 1.00 0.00 O ATOM 914 CB GLN A 431 6.039 18.322 3.615 1.00 0.00 C ATOM 915 CG GLN A 431 5.406 19.202 4.680 1.00 0.00 C ATOM 916 CD GLN A 431 4.992 20.560 4.146 1.00 0.00 C ATOM 917 OE1 GLN A 431 5.878 21.190 3.383 1.00 0.00 O flip ATOM 918 NE2 GLN A 431 3.890 21.036 4.416 1.00 0.00 N flip ATOM 0 H GLN A 431 7.831 17.677 1.621 1.00 0.00 H new ATOM 0 HA GLN A 431 7.874 19.340 4.072 1.00 0.00 H new ATOM 0 HB2 GLN A 431 5.628 18.591 2.642 1.00 0.00 H new ATOM 0 HB3 GLN A 431 5.763 17.284 3.802 1.00 0.00 H new ATOM 0 HG2 GLN A 431 4.533 18.696 5.092 1.00 0.00 H new ATOM 0 HG3 GLN A 431 6.111 19.338 5.500 1.00 0.00 H new ATOM 0 HE21 GLN A 431 3.241 20.516 5.006 1.00 0.00 H new ATOM 0 HE22 GLN A 431 3.626 21.950 4.049 1.00 0.00 H new ATOM 927 N ASP A 432 8.787 17.490 5.432 1.00 0.00 N ATOM 928 CA ASP A 432 9.431 16.438 6.211 1.00 0.00 C ATOM 929 C ASP A 432 8.439 15.333 6.561 1.00 0.00 C ATOM 930 O ASP A 432 8.723 14.149 6.378 1.00 0.00 O ATOM 931 CB ASP A 432 10.038 17.019 7.488 1.00 0.00 C ATOM 932 CG ASP A 432 11.354 16.360 7.854 1.00 0.00 C ATOM 933 OD1 ASP A 432 11.483 15.136 7.649 1.00 0.00 O ATOM 934 OD2 ASP A 432 12.257 17.072 8.344 1.00 0.00 O ATOM 0 H ASP A 432 8.831 18.416 5.858 1.00 0.00 H new ATOM 0 HA ASP A 432 10.226 16.006 5.603 1.00 0.00 H new ATOM 0 HB2 ASP A 432 10.195 18.090 7.358 1.00 0.00 H new ATOM 0 HB3 ASP A 432 9.333 16.898 8.310 1.00 0.00 H new ATOM 939 N SER A 433 7.274 15.730 7.067 1.00 0.00 N ATOM 940 CA SER A 433 6.239 14.772 7.444 1.00 0.00 C ATOM 941 C SER A 433 5.873 13.877 6.264 1.00 0.00 C ATOM 942 O SER A 433 5.937 12.651 6.358 1.00 0.00 O ATOM 943 CB SER A 433 4.997 15.506 7.949 1.00 0.00 C ATOM 944 OG SER A 433 5.057 15.710 9.350 1.00 0.00 O ATOM 0 H SER A 433 7.024 16.706 7.225 1.00 0.00 H new ATOM 0 HA SER A 433 6.631 14.145 8.244 1.00 0.00 H new ATOM 0 HB2 SER A 433 4.908 16.467 7.442 1.00 0.00 H new ATOM 0 HB3 SER A 433 4.105 14.931 7.700 1.00 0.00 H new ATOM 0 HG SER A 433 4.251 16.183 9.647 1.00 0.00 H new ATOM 950 N VAL A 434 5.491 14.498 5.154 1.00 0.00 N ATOM 951 CA VAL A 434 5.117 13.758 3.956 1.00 0.00 C ATOM 952 C VAL A 434 6.323 13.013 3.386 1.00 0.00 C ATOM 953 O VAL A 434 6.174 11.957 2.771 1.00 0.00 O ATOM 954 CB VAL A 434 4.513 14.695 2.885 1.00 0.00 C ATOM 955 CG1 VAL A 434 4.775 14.181 1.474 1.00 0.00 C ATOM 956 CG2 VAL A 434 3.021 14.865 3.122 1.00 0.00 C ATOM 0 H VAL A 434 5.432 15.512 5.059 1.00 0.00 H new ATOM 0 HA VAL A 434 4.356 13.031 4.239 1.00 0.00 H new ATOM 0 HB VAL A 434 5.002 15.665 2.975 1.00 0.00 H new ATOM 0 HG11 VAL A 434 4.335 14.866 0.750 1.00 0.00 H new ATOM 0 HG12 VAL A 434 5.850 14.115 1.305 1.00 0.00 H new ATOM 0 HG13 VAL A 434 4.328 13.194 1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 434 2.605 15.527 2.362 1.00 0.00 H new ATOM 0 HG22 VAL A 434 2.530 13.893 3.065 1.00 0.00 H new ATOM 0 HG23 VAL A 434 2.856 15.297 4.109 1.00 0.00 H new ATOM 966 N ARG A 435 7.514 13.562 3.597 1.00 0.00 N ATOM 967 CA ARG A 435 8.736 12.937 3.109 1.00 0.00 C ATOM 968 C ARG A 435 8.895 11.546 3.713 1.00 0.00 C ATOM 969 O ARG A 435 9.021 10.552 2.994 1.00 0.00 O ATOM 970 CB ARG A 435 9.950 13.804 3.447 1.00 0.00 C ATOM 971 CG ARG A 435 10.509 14.561 2.251 1.00 0.00 C ATOM 972 CD ARG A 435 11.917 14.103 1.899 1.00 0.00 C ATOM 973 NE ARG A 435 11.949 13.345 0.651 1.00 0.00 N ATOM 974 CZ ARG A 435 13.051 13.149 -0.070 1.00 0.00 C ATOM 975 NH1 ARG A 435 14.213 13.650 0.332 1.00 0.00 N ATOM 976 NH2 ARG A 435 12.993 12.448 -1.194 1.00 0.00 N ATOM 0 H ARG A 435 7.658 14.437 4.102 1.00 0.00 H new ATOM 0 HA ARG A 435 8.669 12.842 2.025 1.00 0.00 H new ATOM 0 HB2 ARG A 435 9.671 14.519 4.221 1.00 0.00 H new ATOM 0 HB3 ARG A 435 10.733 13.171 3.864 1.00 0.00 H new ATOM 0 HG2 ARG A 435 9.854 14.417 1.391 1.00 0.00 H new ATOM 0 HG3 ARG A 435 10.518 15.629 2.469 1.00 0.00 H new ATOM 0 HD2 ARG A 435 12.570 14.972 1.813 1.00 0.00 H new ATOM 0 HD3 ARG A 435 12.311 13.487 2.708 1.00 0.00 H new ATOM 0 HE ARG A 435 11.076 12.942 0.312 1.00 0.00 H new ATOM 0 HH11 ARG A 435 14.264 14.188 1.197 1.00 0.00 H new ATOM 0 HH12 ARG A 435 15.054 13.497 -0.224 1.00 0.00 H new ATOM 0 HH21 ARG A 435 12.104 12.059 -1.507 1.00 0.00 H new ATOM 0 HH22 ARG A 435 13.838 12.298 -1.746 1.00 0.00 H new ATOM 990 N GLN A 436 8.873 11.481 5.041 1.00 0.00 N ATOM 991 CA GLN A 436 9.000 10.211 5.744 1.00 0.00 C ATOM 992 C GLN A 436 7.791 9.328 5.460 1.00 0.00 C ATOM 993 O GLN A 436 7.921 8.120 5.262 1.00 0.00 O ATOM 994 CB GLN A 436 9.138 10.443 7.250 1.00 0.00 C ATOM 995 CG GLN A 436 10.566 10.720 7.693 1.00 0.00 C ATOM 996 CD GLN A 436 10.631 11.496 8.994 1.00 0.00 C ATOM 997 OE1 GLN A 436 9.819 12.386 9.241 1.00 0.00 O ATOM 998 NE2 GLN A 436 11.604 11.161 9.834 1.00 0.00 N ATOM 0 H GLN A 436 8.769 12.292 5.650 1.00 0.00 H new ATOM 0 HA GLN A 436 9.898 9.707 5.386 1.00 0.00 H new ATOM 0 HB2 GLN A 436 8.507 11.283 7.539 1.00 0.00 H new ATOM 0 HB3 GLN A 436 8.765 9.567 7.780 1.00 0.00 H new ATOM 0 HG2 GLN A 436 11.096 9.775 7.811 1.00 0.00 H new ATOM 0 HG3 GLN A 436 11.082 11.280 6.914 1.00 0.00 H new ATOM 0 HE21 GLN A 436 12.256 10.416 9.588 1.00 0.00 H new ATOM 0 HE22 GLN A 436 11.699 11.649 10.725 1.00 0.00 H new ATOM 1007 N ALA A 437 6.612 9.945 5.432 1.00 0.00 N ATOM 1008 CA ALA A 437 5.376 9.224 5.161 1.00 0.00 C ATOM 1009 C ALA A 437 5.384 8.658 3.747 1.00 0.00 C ATOM 1010 O ALA A 437 4.817 7.597 3.485 1.00 0.00 O ATOM 1011 CB ALA A 437 4.176 10.139 5.364 1.00 0.00 C ATOM 0 H ALA A 437 6.489 10.944 5.594 1.00 0.00 H new ATOM 0 HA ALA A 437 5.300 8.392 5.861 1.00 0.00 H new ATOM 0 HB1 ALA A 437 3.259 9.587 5.158 1.00 0.00 H new ATOM 0 HB2 ALA A 437 4.161 10.496 6.394 1.00 0.00 H new ATOM 0 HB3 ALA A 437 4.248 10.989 4.686 1.00 0.00 H new ATOM 1017 N ARG A 438 6.038 9.375 2.836 1.00 0.00 N ATOM 1018 CA ARG A 438 6.131 8.948 1.446 1.00 0.00 C ATOM 1019 C ARG A 438 7.054 7.743 1.317 1.00 0.00 C ATOM 1020 O ARG A 438 6.665 6.705 0.781 1.00 0.00 O ATOM 1021 CB ARG A 438 6.642 10.095 0.571 1.00 0.00 C ATOM 1022 CG ARG A 438 6.744 9.735 -0.902 1.00 0.00 C ATOM 1023 CD ARG A 438 5.605 10.339 -1.706 1.00 0.00 C ATOM 1024 NE ARG A 438 6.044 10.800 -3.020 1.00 0.00 N ATOM 1025 CZ ARG A 438 6.911 11.793 -3.206 1.00 0.00 C ATOM 1026 NH1 ARG A 438 7.432 12.431 -2.167 1.00 0.00 N ATOM 1027 NH2 ARG A 438 7.257 12.148 -4.436 1.00 0.00 N ATOM 0 H ARG A 438 6.511 10.256 3.038 1.00 0.00 H new ATOM 0 HA ARG A 438 5.135 8.662 1.108 1.00 0.00 H new ATOM 0 HB2 ARG A 438 5.976 10.951 0.682 1.00 0.00 H new ATOM 0 HB3 ARG A 438 7.623 10.406 0.930 1.00 0.00 H new ATOM 0 HG2 ARG A 438 7.696 10.087 -1.298 1.00 0.00 H new ATOM 0 HG3 ARG A 438 6.734 8.651 -1.014 1.00 0.00 H new ATOM 0 HD2 ARG A 438 4.815 9.598 -1.828 1.00 0.00 H new ATOM 0 HD3 ARG A 438 5.176 11.175 -1.154 1.00 0.00 H new ATOM 0 HE ARG A 438 5.664 10.334 -3.844 1.00 0.00 H new ATOM 0 HH11 ARG A 438 7.169 12.162 -1.219 1.00 0.00 H new ATOM 0 HH12 ARG A 438 8.096 13.191 -2.316 1.00 0.00 H new ATOM 0 HH21 ARG A 438 6.859 11.660 -5.239 1.00 0.00 H new ATOM 0 HH22 ARG A 438 7.921 12.909 -4.579 1.00 0.00 H new ATOM 1041 N LYS A 439 8.279 7.885 1.818 1.00 0.00 N ATOM 1042 CA LYS A 439 9.253 6.800 1.763 1.00 0.00 C ATOM 1043 C LYS A 439 8.714 5.564 2.472 1.00 0.00 C ATOM 1044 O LYS A 439 8.767 4.455 1.939 1.00 0.00 O ATOM 1045 CB LYS A 439 10.573 7.239 2.405 1.00 0.00 C ATOM 1046 CG LYS A 439 11.512 7.943 1.440 1.00 0.00 C ATOM 1047 CD LYS A 439 12.326 9.019 2.140 1.00 0.00 C ATOM 1048 CE LYS A 439 12.674 10.158 1.196 1.00 0.00 C ATOM 1049 NZ LYS A 439 13.922 10.858 1.605 1.00 0.00 N ATOM 0 H LYS A 439 8.619 8.737 2.264 1.00 0.00 H new ATOM 0 HA LYS A 439 9.434 6.552 0.717 1.00 0.00 H new ATOM 0 HB2 LYS A 439 10.358 7.905 3.241 1.00 0.00 H new ATOM 0 HB3 LYS A 439 11.076 6.364 2.816 1.00 0.00 H new ATOM 0 HG2 LYS A 439 12.184 7.214 0.987 1.00 0.00 H new ATOM 0 HG3 LYS A 439 10.935 8.390 0.631 1.00 0.00 H new ATOM 0 HD2 LYS A 439 11.763 9.408 2.989 1.00 0.00 H new ATOM 0 HD3 LYS A 439 13.242 8.582 2.538 1.00 0.00 H new ATOM 0 HE2 LYS A 439 12.791 9.768 0.185 1.00 0.00 H new ATOM 0 HE3 LYS A 439 11.850 10.871 1.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 439 14.499 11.059 0.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 439 13.680 11.751 2.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 439 14.461 10.254 2.258 1.00 0.00 H new ATOM 1063 N GLU A 440 8.184 5.765 3.674 1.00 0.00 N ATOM 1064 CA GLU A 440 7.623 4.671 4.454 1.00 0.00 C ATOM 1065 C GLU A 440 6.418 4.070 3.735 1.00 0.00 C ATOM 1066 O GLU A 440 6.230 2.853 3.725 1.00 0.00 O ATOM 1067 CB GLU A 440 7.215 5.166 5.844 1.00 0.00 C ATOM 1068 CG GLU A 440 6.541 4.104 6.698 1.00 0.00 C ATOM 1069 CD GLU A 440 6.011 4.659 8.005 1.00 0.00 C ATOM 1070 OE1 GLU A 440 5.497 5.797 8.003 1.00 0.00 O ATOM 1071 OE2 GLU A 440 6.108 3.953 9.033 1.00 0.00 O ATOM 0 H GLU A 440 8.132 6.677 4.128 1.00 0.00 H new ATOM 0 HA GLU A 440 8.384 3.898 4.566 1.00 0.00 H new ATOM 0 HB2 GLU A 440 8.101 5.530 6.365 1.00 0.00 H new ATOM 0 HB3 GLU A 440 6.539 6.014 5.734 1.00 0.00 H new ATOM 0 HG2 GLU A 440 5.720 3.659 6.137 1.00 0.00 H new ATOM 0 HG3 GLU A 440 7.253 3.306 6.908 1.00 0.00 H new ATOM 1078 N ALA A 441 5.611 4.935 3.129 1.00 0.00 N ATOM 1079 CA ALA A 441 4.429 4.496 2.401 1.00 0.00 C ATOM 1080 C ALA A 441 4.814 3.588 1.238 1.00 0.00 C ATOM 1081 O ALA A 441 4.321 2.464 1.124 1.00 0.00 O ATOM 1082 CB ALA A 441 3.640 5.696 1.899 1.00 0.00 C ATOM 0 H ALA A 441 5.755 5.945 3.129 1.00 0.00 H new ATOM 0 HA ALA A 441 3.800 3.926 3.084 1.00 0.00 H new ATOM 0 HB1 ALA A 441 2.759 5.351 1.357 1.00 0.00 H new ATOM 0 HB2 ALA A 441 3.328 6.307 2.746 1.00 0.00 H new ATOM 0 HB3 ALA A 441 4.266 6.291 1.234 1.00 0.00 H new ATOM 1088 N VAL A 442 5.702 4.080 0.377 1.00 0.00 N ATOM 1089 CA VAL A 442 6.150 3.306 -0.772 1.00 0.00 C ATOM 1090 C VAL A 442 6.816 2.010 -0.319 1.00 0.00 C ATOM 1091 O VAL A 442 6.669 0.965 -0.954 1.00 0.00 O ATOM 1092 CB VAL A 442 7.127 4.106 -1.655 1.00 0.00 C ATOM 1093 CG1 VAL A 442 8.386 4.456 -0.885 1.00 0.00 C ATOM 1094 CG2 VAL A 442 7.464 3.327 -2.919 1.00 0.00 C ATOM 0 H VAL A 442 6.122 5.006 0.455 1.00 0.00 H new ATOM 0 HA VAL A 442 5.266 3.073 -1.366 1.00 0.00 H new ATOM 0 HB VAL A 442 6.641 5.037 -1.947 1.00 0.00 H new ATOM 0 HG11 VAL A 442 9.061 5.021 -1.528 1.00 0.00 H new ATOM 0 HG12 VAL A 442 8.125 5.059 -0.015 1.00 0.00 H new ATOM 0 HG13 VAL A 442 8.878 3.540 -0.557 1.00 0.00 H new ATOM 0 HG21 VAL A 442 8.155 3.907 -3.531 1.00 0.00 H new ATOM 0 HG22 VAL A 442 7.927 2.378 -2.649 1.00 0.00 H new ATOM 0 HG23 VAL A 442 6.551 3.137 -3.484 1.00 0.00 H new ATOM 1104 N CYS A 443 7.539 2.081 0.794 1.00 0.00 N ATOM 1105 CA CYS A 443 8.210 0.910 1.338 1.00 0.00 C ATOM 1106 C CYS A 443 7.180 -0.131 1.760 1.00 0.00 C ATOM 1107 O CYS A 443 7.375 -1.330 1.565 1.00 0.00 O ATOM 1108 CB CYS A 443 9.082 1.301 2.534 1.00 0.00 C ATOM 1109 SG CYS A 443 10.201 -0.007 3.089 1.00 0.00 S ATOM 0 H CYS A 443 7.674 2.936 1.334 1.00 0.00 H new ATOM 0 HA CYS A 443 8.850 0.484 0.566 1.00 0.00 H new ATOM 0 HB2 CYS A 443 9.670 2.180 2.270 1.00 0.00 H new ATOM 0 HB3 CYS A 443 8.435 1.588 3.363 1.00 0.00 H new ATOM 0 HG CYS A 443 10.897 0.418 4.101 1.00 0.00 H new ATOM 1115 N LYS A 444 6.078 0.346 2.333 1.00 0.00 N ATOM 1116 CA LYS A 444 5.000 -0.525 2.777 1.00 0.00 C ATOM 1117 C LYS A 444 4.358 -1.238 1.593 1.00 0.00 C ATOM 1118 O LYS A 444 4.280 -2.465 1.567 1.00 0.00 O ATOM 1119 CB LYS A 444 3.944 0.280 3.537 1.00 0.00 C ATOM 1120 CG LYS A 444 3.310 -0.481 4.689 1.00 0.00 C ATOM 1121 CD LYS A 444 3.947 -0.111 6.020 1.00 0.00 C ATOM 1122 CE LYS A 444 4.938 -1.169 6.477 1.00 0.00 C ATOM 1123 NZ LYS A 444 4.350 -2.077 7.501 1.00 0.00 N ATOM 0 H LYS A 444 5.910 1.338 2.500 1.00 0.00 H new ATOM 0 HA LYS A 444 5.423 -1.275 3.445 1.00 0.00 H new ATOM 0 HB2 LYS A 444 4.402 1.191 3.923 1.00 0.00 H new ATOM 0 HB3 LYS A 444 3.163 0.586 2.841 1.00 0.00 H new ATOM 0 HG2 LYS A 444 2.242 -0.267 4.724 1.00 0.00 H new ATOM 0 HG3 LYS A 444 3.415 -1.553 4.520 1.00 0.00 H new ATOM 0 HD2 LYS A 444 4.455 0.849 5.927 1.00 0.00 H new ATOM 0 HD3 LYS A 444 3.170 0.011 6.775 1.00 0.00 H new ATOM 0 HE2 LYS A 444 5.265 -1.755 5.618 1.00 0.00 H new ATOM 0 HE3 LYS A 444 5.823 -0.684 6.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 444 5.111 -2.599 7.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 444 3.822 -1.516 8.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 444 3.706 -2.750 7.039 1.00 0.00 H new ATOM 1137 N ILE A 445 3.901 -0.464 0.608 1.00 0.00 N ATOM 1138 CA ILE A 445 3.273 -1.039 -0.579 1.00 0.00 C ATOM 1139 C ILE A 445 4.187 -2.077 -1.219 1.00 0.00 C ATOM 1140 O ILE A 445 3.751 -3.171 -1.577 1.00 0.00 O ATOM 1141 CB ILE A 445 2.917 0.039 -1.623 1.00 0.00 C ATOM 1142 CG1 ILE A 445 4.144 0.885 -1.960 1.00 0.00 C ATOM 1143 CG2 ILE A 445 1.786 0.917 -1.109 1.00 0.00 C ATOM 1144 CD1 ILE A 445 3.869 1.990 -2.957 1.00 0.00 C ATOM 0 H ILE A 445 3.954 0.555 0.609 1.00 0.00 H new ATOM 0 HA ILE A 445 2.349 -1.515 -0.250 1.00 0.00 H new ATOM 0 HB ILE A 445 2.584 -0.457 -2.535 1.00 0.00 H new ATOM 0 HG12 ILE A 445 4.533 1.325 -1.042 1.00 0.00 H new ATOM 0 HG13 ILE A 445 4.924 0.235 -2.358 1.00 0.00 H new ATOM 0 HG21 ILE A 445 1.545 1.674 -1.856 1.00 0.00 H new ATOM 0 HG22 ILE A 445 0.906 0.302 -0.918 1.00 0.00 H new ATOM 0 HG23 ILE A 445 2.095 1.405 -0.185 1.00 0.00 H new ATOM 0 HD11 ILE A 445 4.787 2.547 -3.146 1.00 0.00 H new ATOM 0 HD12 ILE A 445 3.509 1.557 -3.890 1.00 0.00 H new ATOM 0 HD13 ILE A 445 3.113 2.664 -2.554 1.00 0.00 H new ATOM 1156 N GLN A 446 5.466 -1.734 -1.341 1.00 0.00 N ATOM 1157 CA GLN A 446 6.445 -2.645 -1.916 1.00 0.00 C ATOM 1158 C GLN A 446 6.718 -3.788 -0.945 1.00 0.00 C ATOM 1159 O GLN A 446 7.014 -4.910 -1.354 1.00 0.00 O ATOM 1160 CB GLN A 446 7.744 -1.904 -2.235 1.00 0.00 C ATOM 1161 CG GLN A 446 7.613 -0.911 -3.379 1.00 0.00 C ATOM 1162 CD GLN A 446 8.316 -1.376 -4.639 1.00 0.00 C ATOM 1163 OE1 GLN A 446 7.706 -1.993 -5.514 1.00 0.00 O ATOM 1164 NE2 GLN A 446 9.607 -1.082 -4.741 1.00 0.00 N ATOM 0 H GLN A 446 5.846 -0.833 -1.050 1.00 0.00 H new ATOM 0 HA GLN A 446 6.044 -3.052 -2.844 1.00 0.00 H new ATOM 0 HB2 GLN A 446 8.080 -1.375 -1.343 1.00 0.00 H new ATOM 0 HB3 GLN A 446 8.516 -2.632 -2.483 1.00 0.00 H new ATOM 0 HG2 GLN A 446 6.557 -0.749 -3.595 1.00 0.00 H new ATOM 0 HG3 GLN A 446 8.026 0.049 -3.070 1.00 0.00 H new ATOM 0 HE21 GLN A 446 10.074 -0.569 -3.993 1.00 0.00 H new ATOM 0 HE22 GLN A 446 10.132 -1.369 -5.567 1.00 0.00 H new ATOM 1173 N ALA A 447 6.606 -3.488 0.345 1.00 0.00 N ATOM 1174 CA ALA A 447 6.827 -4.477 1.388 1.00 0.00 C ATOM 1175 C ALA A 447 5.715 -5.520 1.388 1.00 0.00 C ATOM 1176 O ALA A 447 5.975 -6.724 1.399 1.00 0.00 O ATOM 1177 CB ALA A 447 6.913 -3.793 2.747 1.00 0.00 C ATOM 0 H ALA A 447 6.362 -2.561 0.692 1.00 0.00 H new ATOM 0 HA ALA A 447 7.770 -4.986 1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 447 7.079 -4.542 3.521 1.00 0.00 H new ATOM 0 HB2 ALA A 447 7.740 -3.083 2.746 1.00 0.00 H new ATOM 0 HB3 ALA A 447 5.982 -3.264 2.947 1.00 0.00 H new ATOM 1183 N ILE A 448 4.473 -5.046 1.372 1.00 0.00 N ATOM 1184 CA ILE A 448 3.315 -5.932 1.364 1.00 0.00 C ATOM 1185 C ILE A 448 3.266 -6.756 0.082 1.00 0.00 C ATOM 1186 O ILE A 448 3.062 -7.969 0.121 1.00 0.00 O ATOM 1187 CB ILE A 448 1.999 -5.140 1.517 1.00 0.00 C ATOM 1188 CG1 ILE A 448 0.799 -6.087 1.542 1.00 0.00 C ATOM 1189 CG2 ILE A 448 1.851 -4.124 0.393 1.00 0.00 C ATOM 1190 CD1 ILE A 448 -0.482 -5.425 1.998 1.00 0.00 C ATOM 0 H ILE A 448 4.243 -4.052 1.364 1.00 0.00 H new ATOM 0 HA ILE A 448 3.420 -6.604 2.216 1.00 0.00 H new ATOM 0 HB ILE A 448 2.033 -4.603 2.465 1.00 0.00 H new ATOM 0 HG12 ILE A 448 0.650 -6.499 0.544 1.00 0.00 H new ATOM 0 HG13 ILE A 448 1.021 -6.925 2.203 1.00 0.00 H new ATOM 0 HG21 ILE A 448 0.917 -3.576 0.519 1.00 0.00 H new ATOM 0 HG22 ILE A 448 2.688 -3.426 0.421 1.00 0.00 H new ATOM 0 HG23 ILE A 448 1.842 -4.641 -0.566 1.00 0.00 H new ATOM 0 HD11 ILE A 448 -1.291 -6.155 1.991 1.00 0.00 H new ATOM 0 HD12 ILE A 448 -0.351 -5.037 3.008 1.00 0.00 H new ATOM 0 HD13 ILE A 448 -0.728 -4.605 1.323 1.00 0.00 H new ATOM 1202 N LEU A 449 3.460 -6.092 -1.055 1.00 0.00 N ATOM 1203 CA LEU A 449 3.439 -6.775 -2.342 1.00 0.00 C ATOM 1204 C LEU A 449 4.567 -7.797 -2.423 1.00 0.00 C ATOM 1205 O LEU A 449 4.376 -8.910 -2.914 1.00 0.00 O ATOM 1206 CB LEU A 449 3.553 -5.765 -3.486 1.00 0.00 C ATOM 1207 CG LEU A 449 2.574 -5.984 -4.641 1.00 0.00 C ATOM 1208 CD1 LEU A 449 1.143 -6.074 -4.126 1.00 0.00 C ATOM 1209 CD2 LEU A 449 2.706 -4.870 -5.669 1.00 0.00 C ATOM 0 H LEU A 449 3.632 -5.088 -1.110 1.00 0.00 H new ATOM 0 HA LEU A 449 2.489 -7.300 -2.437 1.00 0.00 H new ATOM 0 HB2 LEU A 449 3.399 -4.764 -3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 449 4.569 -5.797 -3.879 1.00 0.00 H new ATOM 0 HG LEU A 449 2.820 -6.929 -5.124 1.00 0.00 H new ATOM 0 HD11 LEU A 449 0.464 -6.230 -4.964 1.00 0.00 H new ATOM 0 HD12 LEU A 449 1.058 -6.909 -3.430 1.00 0.00 H new ATOM 0 HD13 LEU A 449 0.881 -5.148 -3.614 1.00 0.00 H new ATOM 0 HD21 LEU A 449 2.002 -5.041 -6.484 1.00 0.00 H new ATOM 0 HD22 LEU A 449 2.488 -3.912 -5.197 1.00 0.00 H new ATOM 0 HD23 LEU A 449 3.722 -4.858 -6.064 1.00 0.00 H new ATOM 1221 N GLU A 450 5.742 -7.416 -1.931 1.00 0.00 N ATOM 1222 CA GLU A 450 6.896 -8.307 -1.941 1.00 0.00 C ATOM 1223 C GLU A 450 6.595 -9.572 -1.144 1.00 0.00 C ATOM 1224 O GLU A 450 6.805 -10.686 -1.622 1.00 0.00 O ATOM 1225 CB GLU A 450 8.122 -7.601 -1.359 1.00 0.00 C ATOM 1226 CG GLU A 450 8.965 -6.887 -2.403 1.00 0.00 C ATOM 1227 CD GLU A 450 10.440 -7.215 -2.289 1.00 0.00 C ATOM 1228 OE1 GLU A 450 11.008 -7.021 -1.193 1.00 0.00 O ATOM 1229 OE2 GLU A 450 11.027 -7.668 -3.295 1.00 0.00 O ATOM 0 H GLU A 450 5.919 -6.499 -1.522 1.00 0.00 H new ATOM 0 HA GLU A 450 7.109 -8.583 -2.974 1.00 0.00 H new ATOM 0 HB2 GLU A 450 7.794 -6.878 -0.612 1.00 0.00 H new ATOM 0 HB3 GLU A 450 8.742 -8.334 -0.843 1.00 0.00 H new ATOM 0 HG2 GLU A 450 8.612 -7.160 -3.397 1.00 0.00 H new ATOM 0 HG3 GLU A 450 8.828 -5.811 -2.301 1.00 0.00 H new ATOM 1236 N LYS A 451 6.092 -9.386 0.074 1.00 0.00 N ATOM 1237 CA LYS A 451 5.749 -10.511 0.936 1.00 0.00 C ATOM 1238 C LYS A 451 4.698 -11.390 0.269 1.00 0.00 C ATOM 1239 O LYS A 451 4.749 -12.617 0.361 1.00 0.00 O ATOM 1240 CB LYS A 451 5.238 -10.010 2.288 1.00 0.00 C ATOM 1241 CG LYS A 451 5.856 -10.726 3.476 1.00 0.00 C ATOM 1242 CD LYS A 451 5.321 -12.141 3.616 1.00 0.00 C ATOM 1243 CE LYS A 451 4.262 -12.232 4.704 1.00 0.00 C ATOM 1244 NZ LYS A 451 4.852 -12.579 6.026 1.00 0.00 N ATOM 0 H LYS A 451 5.914 -8.469 0.484 1.00 0.00 H new ATOM 0 HA LYS A 451 6.647 -11.106 1.101 1.00 0.00 H new ATOM 0 HB2 LYS A 451 5.443 -8.943 2.371 1.00 0.00 H new ATOM 0 HB3 LYS A 451 4.155 -10.131 2.325 1.00 0.00 H new ATOM 0 HG2 LYS A 451 6.939 -10.756 3.360 1.00 0.00 H new ATOM 0 HG3 LYS A 451 5.648 -10.166 4.388 1.00 0.00 H new ATOM 0 HD2 LYS A 451 4.897 -12.466 2.666 1.00 0.00 H new ATOM 0 HD3 LYS A 451 6.142 -12.820 3.848 1.00 0.00 H new ATOM 0 HE2 LYS A 451 3.737 -11.280 4.780 1.00 0.00 H new ATOM 0 HE3 LYS A 451 3.522 -12.983 4.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 451 4.098 -12.631 6.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 451 5.332 -13.499 5.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 451 5.540 -11.849 6.302 1.00 0.00 H new ATOM 1258 N LEU A 452 3.748 -10.753 -0.409 1.00 0.00 N ATOM 1259 CA LEU A 452 2.686 -11.475 -1.100 1.00 0.00 C ATOM 1260 C LEU A 452 3.273 -12.417 -2.147 1.00 0.00 C ATOM 1261 O LEU A 452 2.963 -13.609 -2.168 1.00 0.00 O ATOM 1262 CB LEU A 452 1.717 -10.492 -1.763 1.00 0.00 C ATOM 1263 CG LEU A 452 0.326 -10.423 -1.128 1.00 0.00 C ATOM 1264 CD1 LEU A 452 -0.592 -9.529 -1.952 1.00 0.00 C ATOM 1265 CD2 LEU A 452 -0.270 -11.816 -0.983 1.00 0.00 C ATOM 0 H LEU A 452 3.692 -9.738 -0.494 1.00 0.00 H new ATOM 0 HA LEU A 452 2.139 -12.067 -0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 452 2.160 -9.497 -1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 452 1.607 -10.766 -2.812 1.00 0.00 H new ATOM 0 HG LEU A 452 0.425 -9.991 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 452 -1.577 -9.491 -1.486 1.00 0.00 H new ATOM 0 HD12 LEU A 452 -0.174 -8.523 -1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 452 -0.683 -9.932 -2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 452 -1.259 -11.743 -0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 452 -0.355 -12.280 -1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 452 0.376 -12.424 -0.350 1.00 0.00 H new ATOM 1277 N GLU A 453 4.124 -11.873 -3.013 1.00 0.00 N ATOM 1278 CA GLU A 453 4.756 -12.666 -4.061 1.00 0.00 C ATOM 1279 C GLU A 453 5.561 -13.812 -3.458 1.00 0.00 C ATOM 1280 O GLU A 453 5.504 -14.943 -3.938 1.00 0.00 O ATOM 1281 CB GLU A 453 5.666 -11.783 -4.918 1.00 0.00 C ATOM 1282 CG GLU A 453 5.723 -12.205 -6.377 1.00 0.00 C ATOM 1283 CD GLU A 453 7.126 -12.140 -6.949 1.00 0.00 C ATOM 1284 OE1 GLU A 453 7.780 -11.087 -6.794 1.00 0.00 O ATOM 1285 OE2 GLU A 453 7.570 -13.140 -7.550 1.00 0.00 O ATOM 0 H GLU A 453 4.391 -10.888 -3.009 1.00 0.00 H new ATOM 0 HA GLU A 453 3.972 -13.086 -4.691 1.00 0.00 H new ATOM 0 HB2 GLU A 453 5.318 -10.752 -4.860 1.00 0.00 H new ATOM 0 HB3 GLU A 453 6.674 -11.803 -4.503 1.00 0.00 H new ATOM 0 HG2 GLU A 453 5.343 -13.222 -6.472 1.00 0.00 H new ATOM 0 HG3 GLU A 453 5.066 -11.563 -6.963 1.00 0.00 H new ATOM 1292 N LYS A 454 6.307 -13.512 -2.400 1.00 0.00 N ATOM 1293 CA LYS A 454 7.119 -14.518 -1.729 1.00 0.00 C ATOM 1294 C LYS A 454 6.239 -15.623 -1.151 1.00 0.00 C ATOM 1295 O LYS A 454 6.626 -16.791 -1.131 1.00 0.00 O ATOM 1296 CB LYS A 454 7.950 -13.877 -0.616 1.00 0.00 C ATOM 1297 CG LYS A 454 9.064 -12.979 -1.129 1.00 0.00 C ATOM 1298 CD LYS A 454 9.442 -11.920 -0.106 1.00 0.00 C ATOM 1299 CE LYS A 454 10.252 -12.513 1.036 1.00 0.00 C ATOM 1300 NZ LYS A 454 11.715 -12.300 0.850 1.00 0.00 N ATOM 0 H LYS A 454 6.365 -12.580 -1.989 1.00 0.00 H new ATOM 0 HA LYS A 454 7.792 -14.958 -2.465 1.00 0.00 H new ATOM 0 HB2 LYS A 454 7.292 -13.294 0.028 1.00 0.00 H new ATOM 0 HB3 LYS A 454 8.384 -14.664 0.001 1.00 0.00 H new ATOM 0 HG2 LYS A 454 9.939 -13.584 -1.369 1.00 0.00 H new ATOM 0 HG3 LYS A 454 8.747 -12.496 -2.054 1.00 0.00 H new ATOM 0 HD2 LYS A 454 10.018 -11.133 -0.592 1.00 0.00 H new ATOM 0 HD3 LYS A 454 8.539 -11.456 0.290 1.00 0.00 H new ATOM 0 HE2 LYS A 454 9.936 -12.062 1.977 1.00 0.00 H new ATOM 0 HE3 LYS A 454 10.047 -13.581 1.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 454 12.231 -12.719 1.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 454 12.022 -12.752 -0.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 454 11.914 -11.280 0.805 1.00 0.00 H new ATOM 1314 N LYS A 455 5.054 -15.243 -0.685 1.00 0.00 N ATOM 1315 CA LYS A 455 4.116 -16.200 -0.109 1.00 0.00 C ATOM 1316 C LYS A 455 3.020 -16.559 -1.109 1.00 0.00 C ATOM 1317 O LYS A 455 1.920 -16.955 -0.723 1.00 0.00 O ATOM 1318 CB LYS A 455 3.492 -15.628 1.167 1.00 0.00 C ATOM 1319 CG LYS A 455 4.118 -16.164 2.444 1.00 0.00 C ATOM 1320 CD LYS A 455 3.138 -16.117 3.606 1.00 0.00 C ATOM 1321 CE LYS A 455 3.837 -16.358 4.934 1.00 0.00 C ATOM 1322 NZ LYS A 455 3.240 -15.549 6.031 1.00 0.00 N ATOM 0 H LYS A 455 4.720 -14.279 -0.695 1.00 0.00 H new ATOM 0 HA LYS A 455 4.667 -17.107 0.138 1.00 0.00 H new ATOM 0 HB2 LYS A 455 3.588 -14.542 1.153 1.00 0.00 H new ATOM 0 HB3 LYS A 455 2.426 -15.854 1.173 1.00 0.00 H new ATOM 0 HG2 LYS A 455 4.448 -17.191 2.286 1.00 0.00 H new ATOM 0 HG3 LYS A 455 5.004 -15.579 2.690 1.00 0.00 H new ATOM 0 HD2 LYS A 455 2.642 -15.147 3.626 1.00 0.00 H new ATOM 0 HD3 LYS A 455 2.363 -16.869 3.460 1.00 0.00 H new ATOM 0 HE2 LYS A 455 3.777 -17.416 5.189 1.00 0.00 H new ATOM 0 HE3 LYS A 455 4.895 -16.113 4.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 3.979 -15.298 6.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 2.825 -14.681 5.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 2.498 -16.102 6.506 1.00 0.00 H new ATOM 1336 N GLY A 456 3.327 -16.419 -2.396 1.00 0.00 N ATOM 1337 CA GLY A 456 2.355 -16.732 -3.428 1.00 0.00 C ATOM 1338 C GLY A 456 2.972 -16.768 -4.812 1.00 0.00 C ATOM 1339 O GLY A 456 3.735 -17.716 -5.098 1.00 0.00 O ATOM 1340 OXT GLY A 456 2.693 -15.850 -5.611 1.00 0.00 O ATOM 0 H GLY A 456 4.230 -16.095 -2.742 1.00 0.00 H new ATOM 0 HA2 GLY A 456 1.898 -17.698 -3.212 1.00 0.00 H new ATOM 0 HA3 GLY A 456 1.557 -15.990 -3.408 1.00 0.00 H new