USER MOD reduce.3.24.130724 H: found=0, std=0, add=329, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 332 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 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 423 LYS NZ :NH3+ 169:sc=-0.00377 (180deg=-0.159) USER MOD Single : A 425 SER OG : rot 180:sc= -0.437 USER MOD Single : A 426 LYS NZ :NH3+ 163:sc= 0.0926 (180deg=0.0437) USER MOD Single : A 427 SER OG : rot -7:sc= 0.794 USER MOD Single : A 432 THR OG1 : rot 180:sc= 0 USER MOD Single : A 433 GLN : amide:sc= -1.47 K(o=-1.5,f=-2.9) USER MOD Single : A 434 THR OG1 : rot 180:sc= -0.0306 USER MOD Single : A 435 GLN : amide:sc= -0.0844 X(o=-0.084,f=-0.084) USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 441 THR OG1 : rot 180:sc= 0 USER MOD Single : A 442 THR OG1 : rot 180:sc= 0 USER MOD Single : A 445 LYS NZ :NH3+ -162:sc= -0.0847 (180deg=-0.419) USER MOD Single : A 447 LYS NZ :NH3+ -161:sc= -0.0655 (180deg=-0.394) USER MOD Single : A 449 LYS NZ :NH3+ -124:sc= 0.777 (180deg=0) USER MOD Single : A 452 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 455 LYS NZ :NH3+ 175:sc= 0.666 (180deg=0.634) USER MOD Single : A 456 SER OG : rot 180:sc= 0.00181 USER MOD Single : A 460 LYS NZ :NH3+ -123:sc= 0.0256 (180deg=0.00225) USER MOD Single : A 465 THR OG1 : rot -130:sc=-5.05e-05 USER MOD Single : A 467 LYS NZ :NH3+ -171:sc= 1.33 (180deg=1.18) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 421 -34.120 -8.029 -12.456 1.00 0.00 N ATOM 2 CA GLY A 421 -32.984 -8.895 -12.062 1.00 0.00 C ATOM 3 C GLY A 421 -33.209 -10.332 -12.468 1.00 0.00 C ATOM 4 O GLY A 421 -34.334 -10.828 -12.401 1.00 0.00 O ATOM 0 HA2 GLY A 421 -32.068 -8.526 -12.523 1.00 0.00 H new ATOM 0 HA3 GLY A 421 -32.842 -8.840 -10.983 1.00 0.00 H new ATOM 10 N THR A 422 -32.169 -10.972 -12.982 1.00 0.00 N ATOM 11 CA THR A 422 -32.283 -12.329 -13.487 1.00 0.00 C ATOM 12 C THR A 422 -30.903 -12.972 -13.620 1.00 0.00 C ATOM 13 O THR A 422 -29.916 -12.284 -13.900 1.00 0.00 O ATOM 14 CB THR A 422 -33.012 -12.355 -14.853 1.00 0.00 C ATOM 15 OG1 THR A 422 -33.128 -13.699 -15.332 1.00 0.00 O ATOM 16 CG2 THR A 422 -32.285 -11.504 -15.889 1.00 0.00 C ATOM 0 H THR A 422 -31.235 -10.570 -13.060 1.00 0.00 H new ATOM 0 HA THR A 422 -32.872 -12.902 -12.771 1.00 0.00 H new ATOM 0 HB THR A 422 -34.007 -11.937 -14.702 1.00 0.00 H new ATOM 0 HG1 THR A 422 -33.592 -13.700 -16.195 1.00 0.00 H new ATOM 0 HG21 THR A 422 -32.823 -11.545 -16.836 1.00 0.00 H new ATOM 0 HG22 THR A 422 -32.237 -10.472 -15.543 1.00 0.00 H new ATOM 0 HG23 THR A 422 -31.274 -11.887 -16.030 1.00 0.00 H new ATOM 24 N LYS A 423 -30.845 -14.276 -13.329 1.00 0.00 N ATOM 25 CA LYS A 423 -29.608 -15.067 -13.366 1.00 0.00 C ATOM 26 C LYS A 423 -28.690 -14.741 -12.185 1.00 0.00 C ATOM 27 O LYS A 423 -28.274 -15.645 -11.455 1.00 0.00 O ATOM 28 CB LYS A 423 -28.868 -14.873 -14.696 1.00 0.00 C ATOM 29 CG LYS A 423 -27.601 -15.702 -14.818 1.00 0.00 C ATOM 30 CD LYS A 423 -26.949 -15.520 -16.179 1.00 0.00 C ATOM 31 CE LYS A 423 -25.669 -16.336 -16.305 1.00 0.00 C ATOM 32 NZ LYS A 423 -25.922 -17.794 -16.161 1.00 0.00 N ATOM 0 H LYS A 423 -31.665 -14.819 -13.058 1.00 0.00 H new ATOM 0 HA LYS A 423 -29.894 -16.115 -13.282 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -29.539 -15.129 -15.516 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -28.614 -13.819 -14.810 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -26.899 -15.414 -14.035 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -27.837 -16.755 -14.664 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -27.648 -15.818 -16.960 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -26.725 -14.465 -16.337 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -25.209 -16.142 -17.274 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -24.958 -16.015 -15.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -25.070 -18.323 -16.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -26.159 -18.009 -15.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -26.714 -18.071 -16.775 1.00 0.00 H new ATOM 46 N ALA A 424 -28.409 -13.457 -11.982 1.00 0.00 N ATOM 47 CA ALA A 424 -27.571 -13.004 -10.873 1.00 0.00 C ATOM 48 C ALA A 424 -26.199 -13.673 -10.906 1.00 0.00 C ATOM 49 O ALA A 424 -25.824 -14.398 -9.982 1.00 0.00 O ATOM 50 CB ALA A 424 -28.262 -13.250 -9.538 1.00 0.00 C ATOM 0 H ALA A 424 -28.753 -12.704 -12.577 1.00 0.00 H new ATOM 0 HA ALA A 424 -27.420 -11.931 -10.987 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -27.620 -12.905 -8.727 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -29.206 -12.705 -9.511 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -28.455 -14.316 -9.419 1.00 0.00 H new ATOM 56 N SER A 425 -25.473 -13.451 -11.994 1.00 0.00 N ATOM 57 CA SER A 425 -24.149 -14.026 -12.167 1.00 0.00 C ATOM 58 C SER A 425 -23.207 -13.558 -11.060 1.00 0.00 C ATOM 59 O SER A 425 -23.198 -12.381 -10.693 1.00 0.00 O ATOM 60 CB SER A 425 -23.595 -13.635 -13.535 1.00 0.00 C ATOM 61 OG SER A 425 -24.537 -13.924 -14.553 1.00 0.00 O ATOM 0 H SER A 425 -25.783 -12.872 -12.774 1.00 0.00 H new ATOM 0 HA SER A 425 -24.227 -15.112 -12.108 1.00 0.00 H new ATOM 0 HB2 SER A 425 -23.354 -12.572 -13.546 1.00 0.00 H new ATOM 0 HB3 SER A 425 -22.667 -14.175 -13.726 1.00 0.00 H new ATOM 0 HG SER A 425 -24.168 -13.666 -15.423 1.00 0.00 H new ATOM 67 N LYS A 426 -22.410 -14.482 -10.545 1.00 0.00 N ATOM 68 CA LYS A 426 -21.448 -14.181 -9.490 1.00 0.00 C ATOM 69 C LYS A 426 -20.201 -13.525 -10.074 1.00 0.00 C ATOM 70 O LYS A 426 -19.083 -14.021 -9.919 1.00 0.00 O ATOM 71 CB LYS A 426 -21.079 -15.451 -8.716 1.00 0.00 C ATOM 72 CG LYS A 426 -22.054 -15.808 -7.595 1.00 0.00 C ATOM 73 CD LYS A 426 -23.476 -16.037 -8.098 1.00 0.00 C ATOM 74 CE LYS A 426 -23.551 -17.201 -9.073 1.00 0.00 C ATOM 75 NZ LYS A 426 -24.948 -17.477 -9.500 1.00 0.00 N ATOM 0 H LYS A 426 -22.410 -15.457 -10.843 1.00 0.00 H new ATOM 0 HA LYS A 426 -21.910 -13.481 -8.794 1.00 0.00 H new ATOM 0 HB2 LYS A 426 -21.025 -16.286 -9.415 1.00 0.00 H new ATOM 0 HB3 LYS A 426 -20.083 -15.327 -8.290 1.00 0.00 H new ATOM 0 HG2 LYS A 426 -21.704 -16.707 -7.088 1.00 0.00 H new ATOM 0 HG3 LYS A 426 -22.060 -15.007 -6.856 1.00 0.00 H new ATOM 0 HD2 LYS A 426 -24.134 -16.230 -7.251 1.00 0.00 H new ATOM 0 HD3 LYS A 426 -23.839 -15.132 -8.584 1.00 0.00 H new ATOM 0 HE2 LYS A 426 -22.940 -16.981 -9.949 1.00 0.00 H new ATOM 0 HE3 LYS A 426 -23.131 -18.092 -8.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 426 -24.939 -18.063 -10.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 426 -25.450 -17.982 -8.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 426 -25.434 -16.579 -9.699 1.00 0.00 H new ATOM 89 N SER A 427 -20.415 -12.434 -10.789 1.00 0.00 N ATOM 90 CA SER A 427 -19.348 -11.688 -11.431 1.00 0.00 C ATOM 91 C SER A 427 -19.821 -10.265 -11.699 1.00 0.00 C ATOM 92 O SER A 427 -20.993 -10.046 -12.020 1.00 0.00 O ATOM 93 CB SER A 427 -18.925 -12.365 -12.744 1.00 0.00 C ATOM 94 OG SER A 427 -18.454 -13.684 -12.516 1.00 0.00 O ATOM 0 H SER A 427 -21.343 -12.038 -10.941 1.00 0.00 H new ATOM 0 HA SER A 427 -18.482 -11.665 -10.770 1.00 0.00 H new ATOM 0 HB2 SER A 427 -19.771 -12.392 -13.430 1.00 0.00 H new ATOM 0 HB3 SER A 427 -18.144 -11.776 -13.224 1.00 0.00 H new ATOM 0 HG SER A 427 -18.386 -13.845 -11.552 1.00 0.00 H new ATOM 100 N GLY A 428 -18.943 -9.299 -11.486 1.00 0.00 N ATOM 101 CA GLY A 428 -19.317 -7.910 -11.665 1.00 0.00 C ATOM 102 C GLY A 428 -18.109 -7.026 -11.877 1.00 0.00 C ATOM 103 O GLY A 428 -17.975 -5.974 -11.248 1.00 0.00 O ATOM 0 H GLY A 428 -17.978 -9.450 -11.192 1.00 0.00 H new ATOM 0 HA2 GLY A 428 -19.987 -7.821 -12.520 1.00 0.00 H new ATOM 0 HA3 GLY A 428 -19.870 -7.567 -10.790 1.00 0.00 H new ATOM 107 N VAL A 429 -17.209 -7.480 -12.737 1.00 0.00 N ATOM 108 CA VAL A 429 -15.978 -6.755 -13.017 1.00 0.00 C ATOM 109 C VAL A 429 -16.243 -5.462 -13.803 1.00 0.00 C ATOM 110 O VAL A 429 -15.804 -4.385 -13.395 1.00 0.00 O ATOM 111 CB VAL A 429 -14.963 -7.636 -13.780 1.00 0.00 C ATOM 112 CG1 VAL A 429 -13.627 -6.923 -13.923 1.00 0.00 C ATOM 113 CG2 VAL A 429 -14.788 -8.978 -13.085 1.00 0.00 C ATOM 0 H VAL A 429 -17.309 -8.352 -13.256 1.00 0.00 H new ATOM 0 HA VAL A 429 -15.549 -6.486 -12.052 1.00 0.00 H new ATOM 0 HB VAL A 429 -15.356 -7.819 -14.780 1.00 0.00 H new ATOM 0 HG11 VAL A 429 -12.929 -7.563 -14.463 1.00 0.00 H new ATOM 0 HG12 VAL A 429 -13.768 -5.993 -14.474 1.00 0.00 H new ATOM 0 HG13 VAL A 429 -13.225 -6.701 -12.934 1.00 0.00 H new ATOM 0 HG21 VAL A 429 -14.070 -9.583 -13.638 1.00 0.00 H new ATOM 0 HG22 VAL A 429 -14.423 -8.818 -12.071 1.00 0.00 H new ATOM 0 HG23 VAL A 429 -15.746 -9.496 -13.048 1.00 0.00 H new ATOM 123 N PRO A 430 -16.895 -5.563 -14.974 1.00 0.00 N ATOM 124 CA PRO A 430 -17.160 -4.440 -15.855 1.00 0.00 C ATOM 125 C PRO A 430 -18.583 -3.897 -15.702 1.00 0.00 C ATOM 126 O PRO A 430 -19.138 -3.900 -14.601 1.00 0.00 O ATOM 127 CB PRO A 430 -16.962 -5.069 -17.243 1.00 0.00 C ATOM 128 CG PRO A 430 -17.058 -6.560 -17.045 1.00 0.00 C ATOM 129 CD PRO A 430 -17.367 -6.793 -15.588 1.00 0.00 C ATOM 0 HA PRO A 430 -16.519 -3.582 -15.651 1.00 0.00 H new ATOM 0 HB2 PRO A 430 -17.722 -4.719 -17.941 1.00 0.00 H new ATOM 0 HB3 PRO A 430 -15.994 -4.793 -17.661 1.00 0.00 H new ATOM 0 HG2 PRO A 430 -17.839 -6.983 -17.677 1.00 0.00 H new ATOM 0 HG3 PRO A 430 -16.123 -7.047 -17.324 1.00 0.00 H new ATOM 0 HD2 PRO A 430 -18.432 -6.951 -15.418 1.00 0.00 H new ATOM 0 HD3 PRO A 430 -16.849 -7.668 -15.197 1.00 0.00 H new ATOM 137 N VAL A 431 -19.177 -3.483 -16.828 1.00 0.00 N ATOM 138 CA VAL A 431 -20.545 -2.962 -16.859 1.00 0.00 C ATOM 139 C VAL A 431 -20.696 -1.787 -15.894 1.00 0.00 C ATOM 140 O VAL A 431 -21.509 -1.822 -14.965 1.00 0.00 O ATOM 141 CB VAL A 431 -21.593 -4.058 -16.542 1.00 0.00 C ATOM 142 CG1 VAL A 431 -23.006 -3.562 -16.831 1.00 0.00 C ATOM 143 CG2 VAL A 431 -21.306 -5.319 -17.344 1.00 0.00 C ATOM 0 H VAL A 431 -18.722 -3.501 -17.741 1.00 0.00 H new ATOM 0 HA VAL A 431 -20.733 -2.613 -17.874 1.00 0.00 H new ATOM 0 HB VAL A 431 -21.522 -4.293 -15.480 1.00 0.00 H new ATOM 0 HG11 VAL A 431 -23.723 -4.350 -16.600 1.00 0.00 H new ATOM 0 HG12 VAL A 431 -23.218 -2.688 -16.216 1.00 0.00 H new ATOM 0 HG13 VAL A 431 -23.089 -3.293 -17.884 1.00 0.00 H new ATOM 0 HG21 VAL A 431 -22.052 -6.078 -17.108 1.00 0.00 H new ATOM 0 HG22 VAL A 431 -21.345 -5.090 -18.409 1.00 0.00 H new ATOM 0 HG23 VAL A 431 -20.315 -5.694 -17.090 1.00 0.00 H new ATOM 153 N THR A 432 -19.840 -0.781 -16.083 1.00 0.00 N ATOM 154 CA THR A 432 -19.791 0.391 -15.214 1.00 0.00 C ATOM 155 C THR A 432 -19.162 0.034 -13.867 1.00 0.00 C ATOM 156 O THR A 432 -19.476 -0.999 -13.274 1.00 0.00 O ATOM 157 CB THR A 432 -21.193 0.997 -15.005 1.00 0.00 C ATOM 158 OG1 THR A 432 -21.847 1.139 -16.274 1.00 0.00 O ATOM 159 CG2 THR A 432 -21.107 2.354 -14.323 1.00 0.00 C ATOM 0 H THR A 432 -19.162 -0.758 -16.844 1.00 0.00 H new ATOM 0 HA THR A 432 -19.171 1.141 -15.705 1.00 0.00 H new ATOM 0 HB THR A 432 -21.765 0.326 -14.364 1.00 0.00 H new ATOM 0 HG1 THR A 432 -22.739 1.523 -16.141 1.00 0.00 H new ATOM 0 HG21 THR A 432 -22.110 2.758 -14.188 1.00 0.00 H new ATOM 0 HG22 THR A 432 -20.627 2.243 -13.351 1.00 0.00 H new ATOM 0 HG23 THR A 432 -20.522 3.035 -14.941 1.00 0.00 H new ATOM 167 N GLN A 433 -18.194 0.837 -13.447 1.00 0.00 N ATOM 168 CA GLN A 433 -17.425 0.558 -12.237 1.00 0.00 C ATOM 169 C GLN A 433 -18.237 0.826 -10.967 1.00 0.00 C ATOM 170 O GLN A 433 -17.790 1.539 -10.069 1.00 0.00 O ATOM 171 CB GLN A 433 -16.135 1.386 -12.222 1.00 0.00 C ATOM 172 CG GLN A 433 -15.245 1.170 -13.439 1.00 0.00 C ATOM 173 CD GLN A 433 -14.883 -0.288 -13.665 1.00 0.00 C ATOM 174 OE1 GLN A 433 -15.741 -1.118 -13.963 1.00 0.00 O ATOM 175 NE2 GLN A 433 -13.611 -0.614 -13.514 1.00 0.00 N ATOM 0 H GLN A 433 -17.920 1.693 -13.929 1.00 0.00 H new ATOM 0 HA GLN A 433 -17.173 -0.502 -12.250 1.00 0.00 H new ATOM 0 HB2 GLN A 433 -16.395 2.443 -12.158 1.00 0.00 H new ATOM 0 HB3 GLN A 433 -15.569 1.142 -11.323 1.00 0.00 H new ATOM 0 HG2 GLN A 433 -15.752 1.553 -14.324 1.00 0.00 H new ATOM 0 HG3 GLN A 433 -14.330 1.750 -13.320 1.00 0.00 H new ATOM 0 HE21 GLN A 433 -12.927 0.101 -13.266 1.00 0.00 H new ATOM 0 HE22 GLN A 433 -13.313 -1.581 -13.645 1.00 0.00 H new ATOM 184 N THR A 434 -19.398 0.198 -10.865 1.00 0.00 N ATOM 185 CA THR A 434 -20.216 0.302 -9.670 1.00 0.00 C ATOM 186 C THR A 434 -19.700 -0.654 -8.596 1.00 0.00 C ATOM 187 O THR A 434 -19.289 -0.235 -7.515 1.00 0.00 O ATOM 188 CB THR A 434 -21.695 -0.007 -9.979 1.00 0.00 C ATOM 189 OG1 THR A 434 -21.802 -1.267 -10.662 1.00 0.00 O ATOM 190 CG2 THR A 434 -22.313 1.095 -10.829 1.00 0.00 C ATOM 0 H THR A 434 -19.794 -0.390 -11.598 1.00 0.00 H new ATOM 0 HA THR A 434 -20.150 1.327 -9.304 1.00 0.00 H new ATOM 0 HB THR A 434 -22.237 -0.061 -9.035 1.00 0.00 H new ATOM 0 HG1 THR A 434 -22.744 -1.457 -10.853 1.00 0.00 H new ATOM 0 HG21 THR A 434 -23.356 0.855 -11.034 1.00 0.00 H new ATOM 0 HG22 THR A 434 -22.257 2.042 -10.293 1.00 0.00 H new ATOM 0 HG23 THR A 434 -21.768 1.178 -11.770 1.00 0.00 H new ATOM 198 N GLN A 435 -19.607 -1.929 -8.959 1.00 0.00 N ATOM 199 CA GLN A 435 -19.032 -2.937 -8.083 1.00 0.00 C ATOM 200 C GLN A 435 -17.525 -3.007 -8.294 1.00 0.00 C ATOM 201 O GLN A 435 -16.752 -3.026 -7.335 1.00 0.00 O ATOM 202 CB GLN A 435 -19.675 -4.301 -8.346 1.00 0.00 C ATOM 203 CG GLN A 435 -21.143 -4.367 -7.951 1.00 0.00 C ATOM 204 CD GLN A 435 -21.346 -4.254 -6.450 1.00 0.00 C ATOM 205 OE1 GLN A 435 -20.903 -5.112 -5.686 1.00 0.00 O ATOM 206 NE2 GLN A 435 -22.017 -3.198 -6.012 1.00 0.00 N ATOM 0 H GLN A 435 -19.925 -2.288 -9.859 1.00 0.00 H new ATOM 0 HA GLN A 435 -19.229 -2.660 -7.047 1.00 0.00 H new ATOM 0 HB2 GLN A 435 -19.581 -4.540 -9.405 1.00 0.00 H new ATOM 0 HB3 GLN A 435 -19.125 -5.065 -7.797 1.00 0.00 H new ATOM 0 HG2 GLN A 435 -21.687 -3.565 -8.450 1.00 0.00 H new ATOM 0 HG3 GLN A 435 -21.569 -5.307 -8.302 1.00 0.00 H new ATOM 0 HE21 GLN A 435 -22.369 -2.507 -6.674 1.00 0.00 H new ATOM 0 HE22 GLN A 435 -22.181 -3.076 -5.013 1.00 0.00 H new ATOM 215 N THR A 436 -17.120 -2.977 -9.564 1.00 0.00 N ATOM 216 CA THR A 436 -15.710 -2.993 -9.944 1.00 0.00 C ATOM 217 C THR A 436 -15.028 -4.276 -9.458 1.00 0.00 C ATOM 218 O THR A 436 -13.912 -4.238 -8.925 1.00 0.00 O ATOM 219 CB THR A 436 -14.969 -1.761 -9.381 1.00 0.00 C ATOM 220 OG1 THR A 436 -15.823 -0.612 -9.443 1.00 0.00 O ATOM 221 CG2 THR A 436 -13.698 -1.481 -10.169 1.00 0.00 C ATOM 0 H THR A 436 -17.761 -2.941 -10.357 1.00 0.00 H new ATOM 0 HA THR A 436 -15.663 -2.960 -11.033 1.00 0.00 H new ATOM 0 HB THR A 436 -14.700 -1.971 -8.346 1.00 0.00 H new ATOM 0 HG1 THR A 436 -15.350 0.167 -9.083 1.00 0.00 H new ATOM 0 HG21 THR A 436 -13.196 -0.608 -9.751 1.00 0.00 H new ATOM 0 HG22 THR A 436 -13.035 -2.344 -10.109 1.00 0.00 H new ATOM 0 HG23 THR A 436 -13.951 -1.289 -11.212 1.00 0.00 H new ATOM 229 N ALA A 437 -15.734 -5.403 -9.621 1.00 0.00 N ATOM 230 CA ALA A 437 -15.262 -6.727 -9.194 1.00 0.00 C ATOM 231 C ALA A 437 -15.234 -6.873 -7.671 1.00 0.00 C ATOM 232 O ALA A 437 -15.695 -7.877 -7.128 1.00 0.00 O ATOM 233 CB ALA A 437 -13.895 -7.036 -9.787 1.00 0.00 C ATOM 0 H ALA A 437 -16.656 -5.421 -10.056 1.00 0.00 H new ATOM 0 HA ALA A 437 -15.980 -7.454 -9.574 1.00 0.00 H new ATOM 0 HB1 ALA A 437 -13.569 -8.022 -9.455 1.00 0.00 H new ATOM 0 HB2 ALA A 437 -13.959 -7.022 -10.875 1.00 0.00 H new ATOM 0 HB3 ALA A 437 -13.177 -6.286 -9.456 1.00 0.00 H new ATOM 239 N GLY A 438 -14.677 -5.886 -6.989 1.00 0.00 N ATOM 240 CA GLY A 438 -14.584 -5.932 -5.546 1.00 0.00 C ATOM 241 C GLY A 438 -13.148 -5.994 -5.070 1.00 0.00 C ATOM 242 O GLY A 438 -12.365 -6.806 -5.568 1.00 0.00 O ATOM 0 H GLY A 438 -14.284 -5.046 -7.414 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -15.068 -5.051 -5.124 1.00 0.00 H new ATOM 0 HA3 GLY A 438 -15.126 -6.802 -5.176 1.00 0.00 H new ATOM 246 N ALA A 439 -12.814 -5.124 -4.115 1.00 0.00 N ATOM 247 CA ALA A 439 -11.468 -5.029 -3.538 1.00 0.00 C ATOM 248 C ALA A 439 -10.448 -4.491 -4.541 1.00 0.00 C ATOM 249 O ALA A 439 -10.348 -4.970 -5.672 1.00 0.00 O ATOM 250 CB ALA A 439 -11.013 -6.371 -2.977 1.00 0.00 C ATOM 0 H ALA A 439 -13.475 -4.458 -3.715 1.00 0.00 H new ATOM 0 HA ALA A 439 -11.527 -4.314 -2.717 1.00 0.00 H new ATOM 0 HB1 ALA A 439 -10.013 -6.269 -2.556 1.00 0.00 H new ATOM 0 HB2 ALA A 439 -11.703 -6.692 -2.197 1.00 0.00 H new ATOM 0 HB3 ALA A 439 -10.997 -7.113 -3.776 1.00 0.00 H new ATOM 256 N ASP A 440 -9.689 -3.495 -4.114 1.00 0.00 N ATOM 257 CA ASP A 440 -8.644 -2.911 -4.946 1.00 0.00 C ATOM 258 C ASP A 440 -7.394 -3.780 -4.877 1.00 0.00 C ATOM 259 O ASP A 440 -7.071 -4.319 -3.817 1.00 0.00 O ATOM 260 CB ASP A 440 -8.320 -1.488 -4.470 1.00 0.00 C ATOM 261 CG ASP A 440 -7.507 -0.680 -5.473 1.00 0.00 C ATOM 262 OD1 ASP A 440 -6.435 -1.143 -5.907 1.00 0.00 O ATOM 263 OD2 ASP A 440 -7.927 0.448 -5.813 1.00 0.00 O ATOM 0 H ASP A 440 -9.776 -3.070 -3.191 1.00 0.00 H new ATOM 0 HA ASP A 440 -8.994 -2.862 -5.977 1.00 0.00 H new ATOM 0 HB2 ASP A 440 -9.252 -0.962 -4.263 1.00 0.00 H new ATOM 0 HB3 ASP A 440 -7.770 -1.544 -3.531 1.00 0.00 H new ATOM 268 N THR A 441 -6.677 -3.887 -5.989 1.00 0.00 N ATOM 269 CA THR A 441 -5.427 -4.631 -6.028 1.00 0.00 C ATOM 270 C THR A 441 -4.422 -4.042 -5.037 1.00 0.00 C ATOM 271 O THR A 441 -3.712 -4.773 -4.346 1.00 0.00 O ATOM 272 CB THR A 441 -4.813 -4.617 -7.443 1.00 0.00 C ATOM 273 OG1 THR A 441 -5.775 -5.085 -8.400 1.00 0.00 O ATOM 274 CG2 THR A 441 -3.563 -5.488 -7.511 1.00 0.00 C ATOM 0 H THR A 441 -6.943 -3.465 -6.879 1.00 0.00 H new ATOM 0 HA THR A 441 -5.650 -5.662 -5.752 1.00 0.00 H new ATOM 0 HB THR A 441 -4.531 -3.590 -7.676 1.00 0.00 H new ATOM 0 HG1 THR A 441 -5.378 -5.072 -9.296 1.00 0.00 H new ATOM 0 HG21 THR A 441 -3.153 -5.458 -8.521 1.00 0.00 H new ATOM 0 HG22 THR A 441 -2.820 -5.114 -6.806 1.00 0.00 H new ATOM 0 HG23 THR A 441 -3.821 -6.516 -7.255 1.00 0.00 H new ATOM 282 N THR A 442 -4.414 -2.719 -4.928 1.00 0.00 N ATOM 283 CA THR A 442 -3.552 -2.036 -3.979 1.00 0.00 C ATOM 284 C THR A 442 -4.127 -2.138 -2.565 1.00 0.00 C ATOM 285 O THR A 442 -5.192 -1.589 -2.273 1.00 0.00 O ATOM 286 CB THR A 442 -3.388 -0.553 -4.363 1.00 0.00 C ATOM 287 OG1 THR A 442 -3.211 -0.431 -5.783 1.00 0.00 O ATOM 288 CG2 THR A 442 -2.193 0.061 -3.651 1.00 0.00 C ATOM 0 H THR A 442 -4.998 -2.098 -5.488 1.00 0.00 H new ATOM 0 HA THR A 442 -2.575 -2.518 -4.004 1.00 0.00 H new ATOM 0 HB THR A 442 -4.289 -0.021 -4.058 1.00 0.00 H new ATOM 0 HG1 THR A 442 -3.109 0.514 -6.020 1.00 0.00 H new ATOM 0 HG21 THR A 442 -2.097 1.108 -3.938 1.00 0.00 H new ATOM 0 HG22 THR A 442 -2.337 -0.008 -2.573 1.00 0.00 H new ATOM 0 HG23 THR A 442 -1.287 -0.476 -3.931 1.00 0.00 H new ATOM 296 N ALA A 443 -3.424 -2.854 -1.700 1.00 0.00 N ATOM 297 CA ALA A 443 -3.859 -3.053 -0.327 1.00 0.00 C ATOM 298 C ALA A 443 -2.690 -2.951 0.628 1.00 0.00 C ATOM 299 O ALA A 443 -2.879 -2.728 1.825 1.00 0.00 O ATOM 300 CB ALA A 443 -4.507 -4.413 -0.152 1.00 0.00 C ATOM 0 H ALA A 443 -2.541 -3.311 -1.929 1.00 0.00 H new ATOM 0 HA ALA A 443 -4.586 -2.272 -0.104 1.00 0.00 H new ATOM 0 HB1 ALA A 443 -4.823 -4.535 0.884 1.00 0.00 H new ATOM 0 HB2 ALA A 443 -5.375 -4.490 -0.807 1.00 0.00 H new ATOM 0 HB3 ALA A 443 -3.790 -5.193 -0.407 1.00 0.00 H new ATOM 306 N GLU A 444 -1.519 -3.315 0.119 1.00 0.00 N ATOM 307 CA GLU A 444 -0.311 -3.447 0.925 1.00 0.00 C ATOM 308 C GLU A 444 -0.151 -2.327 1.952 1.00 0.00 C ATOM 309 O GLU A 444 -0.373 -1.145 1.676 1.00 0.00 O ATOM 310 CB GLU A 444 0.927 -3.553 0.016 1.00 0.00 C ATOM 311 CG GLU A 444 0.864 -2.697 -1.245 1.00 0.00 C ATOM 312 CD GLU A 444 1.112 -1.230 -0.984 1.00 0.00 C ATOM 313 OE1 GLU A 444 1.779 -0.910 0.014 1.00 0.00 O ATOM 314 OE2 GLU A 444 0.656 -0.395 -1.794 1.00 0.00 O ATOM 0 H GLU A 444 -1.380 -3.528 -0.869 1.00 0.00 H new ATOM 0 HA GLU A 444 -0.409 -4.368 1.500 1.00 0.00 H new ATOM 0 HB2 GLU A 444 1.808 -3.267 0.590 1.00 0.00 H new ATOM 0 HB3 GLU A 444 1.060 -4.595 -0.274 1.00 0.00 H new ATOM 0 HG2 GLU A 444 1.601 -3.061 -1.960 1.00 0.00 H new ATOM 0 HG3 GLU A 444 -0.116 -2.816 -1.708 1.00 0.00 H new ATOM 321 N LYS A 445 0.170 -2.735 3.168 1.00 0.00 N ATOM 322 CA LYS A 445 0.378 -1.816 4.275 1.00 0.00 C ATOM 323 C LYS A 445 1.761 -1.170 4.162 1.00 0.00 C ATOM 324 O LYS A 445 2.187 -0.396 5.025 1.00 0.00 O ATOM 325 CB LYS A 445 0.237 -2.575 5.599 1.00 0.00 C ATOM 326 CG LYS A 445 0.154 -1.674 6.814 1.00 0.00 C ATOM 327 CD LYS A 445 -0.069 -2.468 8.093 1.00 0.00 C ATOM 328 CE LYS A 445 -1.465 -3.073 8.146 1.00 0.00 C ATOM 329 NZ LYS A 445 -2.525 -2.028 8.122 1.00 0.00 N ATOM 0 H LYS A 445 0.294 -3.716 3.417 1.00 0.00 H new ATOM 0 HA LYS A 445 -0.371 -1.025 4.243 1.00 0.00 H new ATOM 0 HB2 LYS A 445 -0.657 -3.197 5.557 1.00 0.00 H new ATOM 0 HB3 LYS A 445 1.087 -3.247 5.714 1.00 0.00 H new ATOM 0 HG2 LYS A 445 1.074 -1.096 6.901 1.00 0.00 H new ATOM 0 HG3 LYS A 445 -0.660 -0.961 6.683 1.00 0.00 H new ATOM 0 HD2 LYS A 445 0.674 -3.262 8.162 1.00 0.00 H new ATOM 0 HD3 LYS A 445 0.078 -1.818 8.955 1.00 0.00 H new ATOM 0 HE2 LYS A 445 -1.601 -3.747 7.300 1.00 0.00 H new ATOM 0 HE3 LYS A 445 -1.567 -3.672 9.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 445 -3.421 -2.434 8.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 445 -2.248 -1.238 8.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 445 -2.648 -1.680 7.150 1.00 0.00 H new ATOM 343 N CYS A 446 2.419 -1.428 3.042 1.00 0.00 N ATOM 344 CA CYS A 446 3.701 -0.824 2.740 1.00 0.00 C ATOM 345 C CYS A 446 3.521 0.654 2.435 1.00 0.00 C ATOM 346 O CYS A 446 4.376 1.476 2.775 1.00 0.00 O ATOM 347 CB CYS A 446 4.357 -1.538 1.559 1.00 0.00 C ATOM 348 SG CYS A 446 4.885 -3.248 1.918 1.00 0.00 S ATOM 0 H CYS A 446 2.077 -2.062 2.320 1.00 0.00 H new ATOM 0 HA CYS A 446 4.352 -0.924 3.608 1.00 0.00 H new ATOM 0 HB2 CYS A 446 3.657 -1.554 0.724 1.00 0.00 H new ATOM 0 HB3 CYS A 446 5.224 -0.962 1.237 1.00 0.00 H new ATOM 353 N LYS A 447 2.410 0.975 1.778 1.00 0.00 N ATOM 354 CA LYS A 447 2.088 2.346 1.406 1.00 0.00 C ATOM 355 C LYS A 447 2.158 3.267 2.620 1.00 0.00 C ATOM 356 O LYS A 447 1.416 3.095 3.593 1.00 0.00 O ATOM 357 CB LYS A 447 0.688 2.398 0.784 1.00 0.00 C ATOM 358 CG LYS A 447 0.228 3.795 0.395 1.00 0.00 C ATOM 359 CD LYS A 447 1.192 4.453 -0.577 1.00 0.00 C ATOM 360 CE LYS A 447 0.624 5.742 -1.143 1.00 0.00 C ATOM 361 NZ LYS A 447 -0.585 5.495 -1.974 1.00 0.00 N ATOM 0 H LYS A 447 1.710 0.292 1.490 1.00 0.00 H new ATOM 0 HA LYS A 447 2.820 2.690 0.675 1.00 0.00 H new ATOM 0 HB2 LYS A 447 0.673 1.763 -0.102 1.00 0.00 H new ATOM 0 HB3 LYS A 447 -0.027 1.976 1.491 1.00 0.00 H new ATOM 0 HG2 LYS A 447 -0.763 3.740 -0.056 1.00 0.00 H new ATOM 0 HG3 LYS A 447 0.137 4.411 1.290 1.00 0.00 H new ATOM 0 HD2 LYS A 447 2.134 4.662 -0.070 1.00 0.00 H new ATOM 0 HD3 LYS A 447 1.414 3.764 -1.392 1.00 0.00 H new ATOM 0 HE2 LYS A 447 0.372 6.418 -0.326 1.00 0.00 H new ATOM 0 HE3 LYS A 447 1.384 6.240 -1.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 -0.755 6.314 -2.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 -0.438 4.646 -2.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 -1.408 5.351 -1.355 1.00 0.00 H new ATOM 375 N GLY A 448 3.097 4.200 2.578 1.00 0.00 N ATOM 376 CA GLY A 448 3.317 5.089 3.698 1.00 0.00 C ATOM 377 C GLY A 448 4.740 5.004 4.205 1.00 0.00 C ATOM 378 O GLY A 448 5.275 5.969 4.751 1.00 0.00 O ATOM 0 H GLY A 448 3.715 4.357 1.782 1.00 0.00 H new ATOM 0 HA2 GLY A 448 3.097 6.114 3.399 1.00 0.00 H new ATOM 0 HA3 GLY A 448 2.627 4.838 4.504 1.00 0.00 H new ATOM 382 N LYS A 449 5.354 3.841 4.025 1.00 0.00 N ATOM 383 CA LYS A 449 6.722 3.619 4.463 1.00 0.00 C ATOM 384 C LYS A 449 7.726 4.195 3.471 1.00 0.00 C ATOM 385 O LYS A 449 7.572 4.035 2.259 1.00 0.00 O ATOM 386 CB LYS A 449 6.987 2.124 4.651 1.00 0.00 C ATOM 387 CG LYS A 449 6.393 1.551 5.928 1.00 0.00 C ATOM 388 CD LYS A 449 6.842 0.115 6.154 1.00 0.00 C ATOM 389 CE LYS A 449 5.939 -0.885 5.453 1.00 0.00 C ATOM 390 NZ LYS A 449 4.738 -1.204 6.268 1.00 0.00 N ATOM 0 H LYS A 449 4.921 3.034 3.576 1.00 0.00 H new ATOM 0 HA LYS A 449 6.848 4.132 5.416 1.00 0.00 H new ATOM 0 HB2 LYS A 449 6.580 1.582 3.797 1.00 0.00 H new ATOM 0 HB3 LYS A 449 8.063 1.953 4.653 1.00 0.00 H new ATOM 0 HG2 LYS A 449 6.692 2.165 6.777 1.00 0.00 H new ATOM 0 HG3 LYS A 449 5.305 1.589 5.874 1.00 0.00 H new ATOM 0 HD2 LYS A 449 7.864 -0.006 5.794 1.00 0.00 H new ATOM 0 HD3 LYS A 449 6.854 -0.096 7.223 1.00 0.00 H new ATOM 0 HE2 LYS A 449 5.628 -0.482 4.489 1.00 0.00 H new ATOM 0 HE3 LYS A 449 6.496 -1.800 5.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 449 4.685 -2.231 6.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 449 4.803 -0.720 7.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 449 3.884 -0.884 5.768 1.00 0.00 H new ATOM 404 N GLY A 450 8.769 4.830 3.995 1.00 0.00 N ATOM 405 CA GLY A 450 9.827 5.358 3.156 1.00 0.00 C ATOM 406 C GLY A 450 10.756 4.264 2.667 1.00 0.00 C ATOM 407 O GLY A 450 10.467 3.083 2.840 1.00 0.00 O ATOM 0 H GLY A 450 8.900 4.989 4.994 1.00 0.00 H new ATOM 0 HA2 GLY A 450 9.390 5.873 2.301 1.00 0.00 H new ATOM 0 HA3 GLY A 450 10.399 6.098 3.715 1.00 0.00 H new ATOM 411 N GLU A 451 11.875 4.649 2.067 1.00 0.00 N ATOM 412 CA GLU A 451 12.833 3.685 1.527 1.00 0.00 C ATOM 413 C GLU A 451 13.421 2.802 2.627 1.00 0.00 C ATOM 414 O GLU A 451 13.525 1.584 2.468 1.00 0.00 O ATOM 415 CB GLU A 451 13.958 4.410 0.784 1.00 0.00 C ATOM 416 CG GLU A 451 15.022 3.472 0.231 1.00 0.00 C ATOM 417 CD GLU A 451 16.155 4.206 -0.452 1.00 0.00 C ATOM 418 OE1 GLU A 451 16.772 5.083 0.184 1.00 0.00 O ATOM 419 OE2 GLU A 451 16.455 3.889 -1.621 1.00 0.00 O ATOM 0 H GLU A 451 12.145 5.625 1.940 1.00 0.00 H new ATOM 0 HA GLU A 451 12.296 3.043 0.829 1.00 0.00 H new ATOM 0 HB2 GLU A 451 13.529 4.985 -0.037 1.00 0.00 H new ATOM 0 HB3 GLU A 451 14.429 5.123 1.460 1.00 0.00 H new ATOM 0 HG2 GLU A 451 15.425 2.868 1.044 1.00 0.00 H new ATOM 0 HG3 GLU A 451 14.561 2.785 -0.478 1.00 0.00 H new ATOM 426 N LYS A 452 13.825 3.423 3.729 1.00 0.00 N ATOM 427 CA LYS A 452 14.428 2.697 4.843 1.00 0.00 C ATOM 428 C LYS A 452 13.428 1.726 5.471 1.00 0.00 C ATOM 429 O LYS A 452 13.798 0.644 5.926 1.00 0.00 O ATOM 430 CB LYS A 452 14.965 3.673 5.899 1.00 0.00 C ATOM 431 CG LYS A 452 13.912 4.606 6.475 1.00 0.00 C ATOM 432 CD LYS A 452 14.495 5.529 7.534 1.00 0.00 C ATOM 433 CE LYS A 452 15.029 4.748 8.722 1.00 0.00 C ATOM 434 NZ LYS A 452 15.533 5.645 9.793 1.00 0.00 N ATOM 0 H LYS A 452 13.746 4.429 3.876 1.00 0.00 H new ATOM 0 HA LYS A 452 15.264 2.117 4.452 1.00 0.00 H new ATOM 0 HB2 LYS A 452 15.412 3.101 6.712 1.00 0.00 H new ATOM 0 HB3 LYS A 452 15.761 4.271 5.454 1.00 0.00 H new ATOM 0 HG2 LYS A 452 13.476 5.202 5.673 1.00 0.00 H new ATOM 0 HG3 LYS A 452 13.104 4.018 6.910 1.00 0.00 H new ATOM 0 HD2 LYS A 452 15.298 6.123 7.098 1.00 0.00 H new ATOM 0 HD3 LYS A 452 13.729 6.227 7.871 1.00 0.00 H new ATOM 0 HE2 LYS A 452 14.240 4.112 9.123 1.00 0.00 H new ATOM 0 HE3 LYS A 452 15.832 4.089 8.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 452 15.889 5.073 10.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 452 16.303 6.234 9.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 452 14.760 6.256 10.126 1.00 0.00 H new ATOM 448 N ASP A 453 12.160 2.114 5.485 1.00 0.00 N ATOM 449 CA ASP A 453 11.112 1.267 6.041 1.00 0.00 C ATOM 450 C ASP A 453 10.693 0.195 5.042 1.00 0.00 C ATOM 451 O ASP A 453 10.431 -0.947 5.417 1.00 0.00 O ATOM 452 CB ASP A 453 9.894 2.103 6.447 1.00 0.00 C ATOM 453 CG ASP A 453 10.054 2.774 7.795 1.00 0.00 C ATOM 454 OD1 ASP A 453 10.964 3.617 7.944 1.00 0.00 O ATOM 455 OD2 ASP A 453 9.261 2.470 8.712 1.00 0.00 O ATOM 0 H ASP A 453 11.832 3.008 5.119 1.00 0.00 H new ATOM 0 HA ASP A 453 11.516 0.780 6.929 1.00 0.00 H new ATOM 0 HB2 ASP A 453 9.715 2.865 5.688 1.00 0.00 H new ATOM 0 HB3 ASP A 453 9.013 1.462 6.470 1.00 0.00 H new ATOM 460 N CYS A 454 10.601 0.583 3.775 1.00 0.00 N ATOM 461 CA CYS A 454 10.166 -0.317 2.716 1.00 0.00 C ATOM 462 C CYS A 454 11.077 -1.536 2.628 1.00 0.00 C ATOM 463 O CYS A 454 12.244 -1.426 2.253 1.00 0.00 O ATOM 464 CB CYS A 454 10.165 0.415 1.369 1.00 0.00 C ATOM 465 SG CYS A 454 9.288 -0.467 0.038 1.00 0.00 S ATOM 0 H CYS A 454 10.825 1.525 3.455 1.00 0.00 H new ATOM 0 HA CYS A 454 9.156 -0.651 2.952 1.00 0.00 H new ATOM 0 HB2 CYS A 454 9.708 1.396 1.502 1.00 0.00 H new ATOM 0 HB3 CYS A 454 11.196 0.583 1.059 1.00 0.00 H new ATOM 470 N LYS A 455 10.528 -2.698 2.933 1.00 0.00 N ATOM 471 CA LYS A 455 11.268 -3.941 2.828 1.00 0.00 C ATOM 472 C LYS A 455 11.137 -4.491 1.420 1.00 0.00 C ATOM 473 O LYS A 455 10.027 -4.639 0.914 1.00 0.00 O ATOM 474 CB LYS A 455 10.745 -4.956 3.845 1.00 0.00 C ATOM 475 CG LYS A 455 10.853 -4.494 5.293 1.00 0.00 C ATOM 476 CD LYS A 455 12.259 -4.674 5.857 1.00 0.00 C ATOM 477 CE LYS A 455 13.257 -3.674 5.289 1.00 0.00 C ATOM 478 NZ LYS A 455 12.951 -2.278 5.698 1.00 0.00 N ATOM 0 H LYS A 455 9.567 -2.806 3.257 1.00 0.00 H new ATOM 0 HA LYS A 455 12.320 -3.751 3.041 1.00 0.00 H new ATOM 0 HB2 LYS A 455 9.701 -5.174 3.621 1.00 0.00 H new ATOM 0 HB3 LYS A 455 11.298 -5.888 3.730 1.00 0.00 H new ATOM 0 HG2 LYS A 455 10.570 -3.443 5.359 1.00 0.00 H new ATOM 0 HG3 LYS A 455 10.145 -5.054 5.904 1.00 0.00 H new ATOM 0 HD2 LYS A 455 12.226 -4.571 6.942 1.00 0.00 H new ATOM 0 HD3 LYS A 455 12.604 -5.686 5.643 1.00 0.00 H new ATOM 0 HE2 LYS A 455 14.261 -3.936 5.623 1.00 0.00 H new ATOM 0 HE3 LYS A 455 13.255 -3.740 4.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 13.703 -1.644 5.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 12.041 -1.987 5.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 12.895 -2.225 6.735 1.00 0.00 H new ATOM 492 N SER A 456 12.266 -4.749 0.780 1.00 0.00 N ATOM 493 CA SER A 456 12.280 -5.220 -0.599 1.00 0.00 C ATOM 494 C SER A 456 11.551 -6.564 -0.767 1.00 0.00 C ATOM 495 O SER A 456 10.722 -6.697 -1.665 1.00 0.00 O ATOM 496 CB SER A 456 13.723 -5.320 -1.100 1.00 0.00 C ATOM 497 OG SER A 456 14.461 -4.155 -0.761 1.00 0.00 O ATOM 0 H SER A 456 13.191 -4.640 1.195 1.00 0.00 H new ATOM 0 HA SER A 456 11.737 -4.492 -1.202 1.00 0.00 H new ATOM 0 HB2 SER A 456 14.202 -6.198 -0.666 1.00 0.00 H new ATOM 0 HB3 SER A 456 13.728 -5.456 -2.181 1.00 0.00 H new ATOM 0 HG SER A 456 15.380 -4.243 -1.090 1.00 0.00 H new ATOM 503 N PRO A 457 11.836 -7.588 0.070 1.00 0.00 N ATOM 504 CA PRO A 457 11.167 -8.892 -0.038 1.00 0.00 C ATOM 505 C PRO A 457 9.655 -8.778 0.142 1.00 0.00 C ATOM 506 O PRO A 457 8.892 -9.622 -0.332 1.00 0.00 O ATOM 507 CB PRO A 457 11.776 -9.716 1.102 1.00 0.00 C ATOM 508 CG PRO A 457 12.364 -8.716 2.034 1.00 0.00 C ATOM 509 CD PRO A 457 12.815 -7.579 1.170 1.00 0.00 C ATOM 0 HA PRO A 457 11.312 -9.338 -1.022 1.00 0.00 H new ATOM 0 HB2 PRO A 457 11.018 -10.320 1.600 1.00 0.00 H new ATOM 0 HB3 PRO A 457 12.537 -10.402 0.729 1.00 0.00 H new ATOM 0 HG2 PRO A 457 11.629 -8.384 2.767 1.00 0.00 H new ATOM 0 HG3 PRO A 457 13.199 -9.142 2.590 1.00 0.00 H new ATOM 0 HD2 PRO A 457 12.805 -6.633 1.711 1.00 0.00 H new ATOM 0 HD3 PRO A 457 13.832 -7.728 0.806 1.00 0.00 H new ATOM 517 N ASP A 458 9.237 -7.756 0.874 1.00 0.00 N ATOM 518 CA ASP A 458 7.824 -7.543 1.155 1.00 0.00 C ATOM 519 C ASP A 458 7.168 -6.710 0.054 1.00 0.00 C ATOM 520 O ASP A 458 6.073 -7.032 -0.412 1.00 0.00 O ATOM 521 CB ASP A 458 7.650 -6.852 2.513 1.00 0.00 C ATOM 522 CG ASP A 458 6.213 -6.860 3.004 1.00 0.00 C ATOM 523 OD1 ASP A 458 5.359 -7.509 2.366 1.00 0.00 O ATOM 524 OD2 ASP A 458 5.935 -6.231 4.049 1.00 0.00 O ATOM 0 H ASP A 458 9.858 -7.059 1.285 1.00 0.00 H new ATOM 0 HA ASP A 458 7.334 -8.516 1.187 1.00 0.00 H new ATOM 0 HB2 ASP A 458 8.282 -7.347 3.250 1.00 0.00 H new ATOM 0 HB3 ASP A 458 7.996 -5.821 2.437 1.00 0.00 H new ATOM 529 N CYS A 459 7.835 -5.636 -0.354 1.00 0.00 N ATOM 530 CA CYS A 459 7.276 -4.724 -1.342 1.00 0.00 C ATOM 531 C CYS A 459 8.361 -4.129 -2.236 1.00 0.00 C ATOM 532 O CYS A 459 9.512 -3.971 -1.826 1.00 0.00 O ATOM 533 CB CYS A 459 6.499 -3.604 -0.644 1.00 0.00 C ATOM 534 SG CYS A 459 4.919 -4.140 0.096 1.00 0.00 S ATOM 0 H CYS A 459 8.762 -5.377 -0.016 1.00 0.00 H new ATOM 0 HA CYS A 459 6.598 -5.295 -1.976 1.00 0.00 H new ATOM 0 HB2 CYS A 459 7.126 -3.174 0.137 1.00 0.00 H new ATOM 0 HB3 CYS A 459 6.299 -2.811 -1.365 1.00 0.00 H new ATOM 539 N LYS A 460 7.972 -3.773 -3.448 1.00 0.00 N ATOM 540 CA LYS A 460 8.875 -3.159 -4.406 1.00 0.00 C ATOM 541 C LYS A 460 8.865 -1.645 -4.246 1.00 0.00 C ATOM 542 O LYS A 460 7.803 -1.022 -4.254 1.00 0.00 O ATOM 543 CB LYS A 460 8.450 -3.530 -5.830 1.00 0.00 C ATOM 544 CG LYS A 460 9.365 -2.990 -6.916 1.00 0.00 C ATOM 545 CD LYS A 460 10.708 -3.700 -6.917 1.00 0.00 C ATOM 546 CE LYS A 460 11.610 -3.189 -8.026 1.00 0.00 C ATOM 547 NZ LYS A 460 12.045 -1.785 -7.795 1.00 0.00 N ATOM 0 H LYS A 460 7.022 -3.901 -3.796 1.00 0.00 H new ATOM 0 HA LYS A 460 9.885 -3.526 -4.222 1.00 0.00 H new ATOM 0 HB2 LYS A 460 8.408 -4.616 -5.913 1.00 0.00 H new ATOM 0 HB3 LYS A 460 7.440 -3.158 -6.004 1.00 0.00 H new ATOM 0 HG2 LYS A 460 8.888 -3.111 -7.888 1.00 0.00 H new ATOM 0 HG3 LYS A 460 9.518 -1.921 -6.766 1.00 0.00 H new ATOM 0 HD2 LYS A 460 11.197 -3.555 -5.954 1.00 0.00 H new ATOM 0 HD3 LYS A 460 10.553 -4.772 -7.038 1.00 0.00 H new ATOM 0 HE2 LYS A 460 12.487 -3.831 -8.103 1.00 0.00 H new ATOM 0 HE3 LYS A 460 11.084 -3.252 -8.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 460 11.767 -1.197 -8.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 460 11.594 -1.419 -6.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 460 13.079 -1.756 -7.684 1.00 0.00 H new ATOM 561 N TRP A 461 10.039 -1.041 -4.185 1.00 0.00 N ATOM 562 CA TRP A 461 10.121 0.404 -4.152 1.00 0.00 C ATOM 563 C TRP A 461 9.927 0.952 -5.561 1.00 0.00 C ATOM 564 O TRP A 461 10.722 0.667 -6.460 1.00 0.00 O ATOM 565 CB TRP A 461 11.463 0.870 -3.591 1.00 0.00 C ATOM 566 CG TRP A 461 11.504 2.344 -3.345 1.00 0.00 C ATOM 567 CD1 TRP A 461 12.194 3.278 -4.061 1.00 0.00 C ATOM 568 CD2 TRP A 461 10.826 3.054 -2.306 1.00 0.00 C ATOM 569 NE1 TRP A 461 11.985 4.526 -3.527 1.00 0.00 N ATOM 570 CE2 TRP A 461 11.152 4.413 -2.445 1.00 0.00 C ATOM 571 CE3 TRP A 461 9.979 2.668 -1.265 1.00 0.00 C ATOM 572 CZ2 TRP A 461 10.652 5.389 -1.587 1.00 0.00 C ATOM 573 CZ3 TRP A 461 9.486 3.634 -0.416 1.00 0.00 C ATOM 574 CH2 TRP A 461 9.824 4.981 -0.578 1.00 0.00 C ATOM 0 H TRP A 461 10.937 -1.524 -4.158 1.00 0.00 H new ATOM 0 HA TRP A 461 9.336 0.781 -3.497 1.00 0.00 H new ATOM 0 HB2 TRP A 461 11.665 0.344 -2.658 1.00 0.00 H new ATOM 0 HB3 TRP A 461 12.257 0.600 -4.287 1.00 0.00 H new ATOM 0 HD1 TRP A 461 12.813 3.067 -4.921 1.00 0.00 H new ATOM 0 HE1 TRP A 461 12.385 5.396 -3.879 1.00 0.00 H new ATOM 0 HE3 TRP A 461 9.715 1.630 -1.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 461 10.909 6.430 -1.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 461 8.827 3.346 0.389 1.00 0.00 H new ATOM 0 HH2 TRP A 461 9.423 5.714 0.107 1.00 0.00 H new ATOM 585 N GLU A 462 8.829 1.662 -5.770 1.00 0.00 N ATOM 586 CA GLU A 462 8.508 2.183 -7.092 1.00 0.00 C ATOM 587 C GLU A 462 9.396 3.373 -7.434 1.00 0.00 C ATOM 588 O GLU A 462 9.951 3.456 -8.530 1.00 0.00 O ATOM 589 CB GLU A 462 7.038 2.594 -7.156 1.00 0.00 C ATOM 590 CG GLU A 462 6.571 2.968 -8.554 1.00 0.00 C ATOM 591 CD GLU A 462 5.200 3.615 -8.560 1.00 0.00 C ATOM 592 OE1 GLU A 462 4.690 3.952 -7.470 1.00 0.00 O ATOM 593 OE2 GLU A 462 4.634 3.802 -9.655 1.00 0.00 O ATOM 0 H GLU A 462 8.148 1.890 -5.046 1.00 0.00 H new ATOM 0 HA GLU A 462 8.689 1.394 -7.822 1.00 0.00 H new ATOM 0 HB2 GLU A 462 6.424 1.774 -6.784 1.00 0.00 H new ATOM 0 HB3 GLU A 462 6.877 3.441 -6.489 1.00 0.00 H new ATOM 0 HG2 GLU A 462 7.292 3.651 -9.003 1.00 0.00 H new ATOM 0 HG3 GLU A 462 6.549 2.074 -9.176 1.00 0.00 H new ATOM 600 N GLY A 463 9.509 4.290 -6.489 1.00 0.00 N ATOM 601 CA GLY A 463 10.309 5.478 -6.688 1.00 0.00 C ATOM 602 C GLY A 463 10.121 6.459 -5.557 1.00 0.00 C ATOM 603 O GLY A 463 11.090 6.948 -4.980 1.00 0.00 O ATOM 0 H GLY A 463 9.055 4.231 -5.577 1.00 0.00 H new ATOM 0 HA2 GLY A 463 11.361 5.203 -6.763 1.00 0.00 H new ATOM 0 HA3 GLY A 463 10.035 5.950 -7.632 1.00 0.00 H new ATOM 607 N GLY A 464 8.870 6.687 -5.192 1.00 0.00 N ATOM 608 CA GLY A 464 8.567 7.562 -4.081 1.00 0.00 C ATOM 609 C GLY A 464 7.434 7.016 -3.244 1.00 0.00 C ATOM 610 O GLY A 464 6.688 7.771 -2.622 1.00 0.00 O ATOM 0 H GLY A 464 8.054 6.279 -5.649 1.00 0.00 H new ATOM 0 HA2 GLY A 464 9.454 7.685 -3.460 1.00 0.00 H new ATOM 0 HA3 GLY A 464 8.301 8.550 -4.456 1.00 0.00 H new ATOM 614 N THR A 465 7.345 5.693 -3.190 1.00 0.00 N ATOM 615 CA THR A 465 6.334 5.018 -2.396 1.00 0.00 C ATOM 616 C THR A 465 6.614 3.517 -2.349 1.00 0.00 C ATOM 617 O THR A 465 7.115 2.931 -3.317 1.00 0.00 O ATOM 618 CB THR A 465 4.902 5.268 -2.944 1.00 0.00 C ATOM 619 OG1 THR A 465 3.926 4.853 -1.981 1.00 0.00 O ATOM 620 CG2 THR A 465 4.663 4.523 -4.250 1.00 0.00 C ATOM 0 H THR A 465 7.970 5.063 -3.694 1.00 0.00 H new ATOM 0 HA THR A 465 6.383 5.432 -1.389 1.00 0.00 H new ATOM 0 HB THR A 465 4.807 6.337 -3.134 1.00 0.00 H new ATOM 0 HG1 THR A 465 3.263 4.276 -2.415 1.00 0.00 H new ATOM 0 HG21 THR A 465 3.651 4.722 -4.603 1.00 0.00 H new ATOM 0 HG22 THR A 465 5.381 4.860 -4.998 1.00 0.00 H new ATOM 0 HG23 THR A 465 4.786 3.452 -4.086 1.00 0.00 H new ATOM 628 N CYS A 466 6.305 2.908 -1.217 1.00 0.00 N ATOM 629 CA CYS A 466 6.464 1.475 -1.050 1.00 0.00 C ATOM 630 C CYS A 466 5.190 0.793 -1.527 1.00 0.00 C ATOM 631 O CYS A 466 4.096 1.305 -1.283 1.00 0.00 O ATOM 632 CB CYS A 466 6.746 1.142 0.415 1.00 0.00 C ATOM 633 SG CYS A 466 7.372 -0.547 0.697 1.00 0.00 S ATOM 0 H CYS A 466 5.940 3.389 -0.395 1.00 0.00 H new ATOM 0 HA CYS A 466 7.310 1.119 -1.638 1.00 0.00 H new ATOM 0 HB2 CYS A 466 7.473 1.855 0.804 1.00 0.00 H new ATOM 0 HB3 CYS A 466 5.829 1.277 0.989 1.00 0.00 H new ATOM 638 N LYS A 467 5.324 -0.245 -2.346 1.00 0.00 N ATOM 639 CA LYS A 467 4.158 -0.844 -2.986 1.00 0.00 C ATOM 640 C LYS A 467 4.428 -2.276 -3.429 1.00 0.00 C ATOM 641 O LYS A 467 5.565 -2.653 -3.678 1.00 0.00 O ATOM 642 CB LYS A 467 3.723 0.020 -4.179 1.00 0.00 C ATOM 643 CG LYS A 467 4.852 0.390 -5.137 1.00 0.00 C ATOM 644 CD LYS A 467 5.076 -0.681 -6.190 1.00 0.00 C ATOM 645 CE LYS A 467 3.873 -0.805 -7.107 1.00 0.00 C ATOM 646 NZ LYS A 467 3.945 -2.017 -7.961 1.00 0.00 N ATOM 0 H LYS A 467 6.214 -0.684 -2.580 1.00 0.00 H new ATOM 0 HA LYS A 467 3.351 -0.882 -2.254 1.00 0.00 H new ATOM 0 HB2 LYS A 467 2.952 -0.513 -4.735 1.00 0.00 H new ATOM 0 HB3 LYS A 467 3.269 0.936 -3.802 1.00 0.00 H new ATOM 0 HG2 LYS A 467 4.618 1.336 -5.626 1.00 0.00 H new ATOM 0 HG3 LYS A 467 5.772 0.542 -4.572 1.00 0.00 H new ATOM 0 HD2 LYS A 467 5.962 -0.438 -6.777 1.00 0.00 H new ATOM 0 HD3 LYS A 467 5.268 -1.638 -5.705 1.00 0.00 H new ATOM 0 HE2 LYS A 467 2.963 -0.838 -6.508 1.00 0.00 H new ATOM 0 HE3 LYS A 467 3.807 0.080 -7.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 467 3.188 -1.985 -8.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 467 4.869 -2.051 -8.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 467 3.828 -2.865 -7.371 1.00 0.00 H new ATOM 660 N ASP A 468 3.375 -3.075 -3.501 1.00 0.00 N ATOM 661 CA ASP A 468 3.495 -4.466 -3.923 1.00 0.00 C ATOM 662 C ASP A 468 3.820 -4.557 -5.412 1.00 0.00 C ATOM 663 O ASP A 468 3.098 -3.933 -6.220 1.00 0.00 O ATOM 664 CB ASP A 468 2.199 -5.221 -3.630 1.00 0.00 C ATOM 665 CG ASP A 468 2.232 -6.647 -4.143 1.00 0.00 C ATOM 666 OD1 ASP A 468 3.042 -7.453 -3.634 1.00 0.00 O ATOM 667 OD2 ASP A 468 1.449 -6.969 -5.061 1.00 0.00 O ATOM 668 OXT ASP A 468 4.797 -5.245 -5.771 1.00 0.00 O ATOM 0 H ASP A 468 2.424 -2.785 -3.272 1.00 0.00 H new ATOM 0 HA ASP A 468 4.311 -4.921 -3.361 1.00 0.00 H new ATOM 0 HB2 ASP A 468 2.021 -5.229 -2.555 1.00 0.00 H new ATOM 0 HB3 ASP A 468 1.363 -4.693 -4.087 1.00 0.00 H new TER 673 ASP A 468