USER MOD reduce.3.24.130724 H: found=0, std=0, add=329, rem=0, adj=20 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= 0.025 USER MOD Single : A 423 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0632) USER MOD Single : A 425 SER OG : rot 180:sc= 0.0553 USER MOD Single : A 426 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0546) USER MOD Single : A 427 SER OG : rot -89:sc= 0.911 USER MOD Single : A 432 THR OG1 : rot 180:sc= 0 USER MOD Single : A 433 GLN : amide:sc=-0.000866 X(o=-0.00087,f=0) USER MOD Single : A 434 THR OG1 : rot 180:sc= 0.0463 USER MOD Single : A 435 GLN :FLIP amide:sc= -0.0563 F(o=-1.9!,f=-0.056) USER MOD Single : A 436 THR OG1 : rot -67:sc= 0.152 USER MOD Single : A 441 THR OG1 : rot 180:sc= 0.0872 USER MOD Single : A 442 THR OG1 : rot 180:sc= 0 USER MOD Single : A 445 LYS NZ :NH3+ -143:sc= -1.37 (180deg=-3.37!) USER MOD Single : A 447 LYS NZ :NH3+ -172:sc=-0.00589 (180deg=-0.086) USER MOD Single : A 449 LYS NZ :NH3+ -149:sc= 0.423 (180deg=0.175) USER MOD Single : A 452 LYS NZ :NH3+ -171:sc=-0.00562 (180deg=-0.0788) USER MOD Single : A 455 LYS NZ :NH3+ 177:sc= 0.157 (180deg=0.111) USER MOD Single : A 456 SER OG : rot 180:sc= 0 USER MOD Single : A 460 LYS NZ :NH3+ -171:sc=-0.000244 (180deg=-0.125) USER MOD Single : A 465 THR OG1 : rot 180:sc= 0 USER MOD Single : A 467 LYS NZ :NH3+ -95:sc= 1.22 (180deg=-0.606) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 421 -25.051 -23.388 18.432 1.00 0.00 N ATOM 2 CA GLY A 421 -24.919 -22.488 19.601 1.00 0.00 C ATOM 3 C GLY A 421 -25.928 -21.363 19.552 1.00 0.00 C ATOM 4 O GLY A 421 -26.207 -20.825 18.481 1.00 0.00 O ATOM 0 HA2 GLY A 421 -25.055 -23.060 20.519 1.00 0.00 H new ATOM 0 HA3 GLY A 421 -23.911 -22.073 19.630 1.00 0.00 H new ATOM 10 N THR A 422 -26.512 -21.035 20.695 1.00 0.00 N ATOM 11 CA THR A 422 -27.504 -19.974 20.766 1.00 0.00 C ATOM 12 C THR A 422 -26.840 -18.605 20.962 1.00 0.00 C ATOM 13 O THR A 422 -25.782 -18.343 20.388 1.00 0.00 O ATOM 14 CB THR A 422 -28.510 -20.250 21.899 1.00 0.00 C ATOM 15 OG1 THR A 422 -27.819 -20.720 23.067 1.00 0.00 O ATOM 16 CG2 THR A 422 -29.545 -21.279 21.464 1.00 0.00 C ATOM 0 H THR A 422 -26.315 -21.489 21.587 1.00 0.00 H new ATOM 0 HA THR A 422 -28.041 -19.955 19.818 1.00 0.00 H new ATOM 0 HB THR A 422 -29.024 -19.318 22.134 1.00 0.00 H new ATOM 0 HG1 THR A 422 -28.466 -20.891 23.783 1.00 0.00 H new ATOM 0 HG21 THR A 422 -30.245 -21.458 22.280 1.00 0.00 H new ATOM 0 HG22 THR A 422 -30.088 -20.905 20.596 1.00 0.00 H new ATOM 0 HG23 THR A 422 -29.044 -22.212 21.204 1.00 0.00 H new ATOM 24 N LYS A 423 -27.480 -17.741 21.756 1.00 0.00 N ATOM 25 CA LYS A 423 -26.997 -16.380 22.023 1.00 0.00 C ATOM 26 C LYS A 423 -27.130 -15.493 20.789 1.00 0.00 C ATOM 27 O LYS A 423 -26.891 -15.922 19.661 1.00 0.00 O ATOM 28 CB LYS A 423 -25.545 -16.378 22.518 1.00 0.00 C ATOM 29 CG LYS A 423 -25.335 -17.145 23.812 1.00 0.00 C ATOM 30 CD LYS A 423 -23.899 -17.023 24.294 1.00 0.00 C ATOM 31 CE LYS A 423 -23.648 -17.862 25.535 1.00 0.00 C ATOM 32 NZ LYS A 423 -24.463 -17.415 26.694 1.00 0.00 N ATOM 0 H LYS A 423 -28.352 -17.966 22.235 1.00 0.00 H new ATOM 0 HA LYS A 423 -27.626 -15.972 22.815 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -24.907 -16.807 21.745 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -25.222 -15.347 22.662 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -26.012 -16.765 24.577 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -25.583 -18.196 23.660 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -23.221 -17.336 23.500 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -23.676 -15.978 24.510 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -23.873 -18.906 25.317 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -22.591 -17.812 25.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -24.172 -17.938 27.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -24.319 -16.396 26.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -25.469 -17.598 26.502 1.00 0.00 H new ATOM 46 N ALA A 424 -27.551 -14.258 21.008 1.00 0.00 N ATOM 47 CA ALA A 424 -27.727 -13.305 19.923 1.00 0.00 C ATOM 48 C ALA A 424 -26.378 -12.821 19.400 1.00 0.00 C ATOM 49 O ALA A 424 -26.286 -12.273 18.303 1.00 0.00 O ATOM 50 CB ALA A 424 -28.570 -12.128 20.384 1.00 0.00 C ATOM 0 H ALA A 424 -27.778 -13.890 21.932 1.00 0.00 H new ATOM 0 HA ALA A 424 -28.247 -13.809 19.108 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -28.693 -11.424 19.561 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -29.549 -12.485 20.705 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -28.074 -11.630 21.217 1.00 0.00 H new ATOM 56 N SER A 425 -25.345 -12.978 20.220 1.00 0.00 N ATOM 57 CA SER A 425 -24.002 -12.514 19.889 1.00 0.00 C ATOM 58 C SER A 425 -23.300 -13.426 18.876 1.00 0.00 C ATOM 59 O SER A 425 -22.080 -13.599 18.923 1.00 0.00 O ATOM 60 CB SER A 425 -23.177 -12.420 21.174 1.00 0.00 C ATOM 61 OG SER A 425 -23.397 -13.559 21.997 1.00 0.00 O ATOM 0 H SER A 425 -25.414 -13.430 21.132 1.00 0.00 H new ATOM 0 HA SER A 425 -24.090 -11.533 19.421 1.00 0.00 H new ATOM 0 HB2 SER A 425 -22.118 -12.342 20.927 1.00 0.00 H new ATOM 0 HB3 SER A 425 -23.445 -11.514 21.719 1.00 0.00 H new ATOM 0 HG SER A 425 -22.860 -13.482 22.813 1.00 0.00 H new ATOM 67 N LYS A 426 -24.050 -13.935 17.909 1.00 0.00 N ATOM 68 CA LYS A 426 -23.470 -14.724 16.833 1.00 0.00 C ATOM 69 C LYS A 426 -23.161 -13.831 15.643 1.00 0.00 C ATOM 70 O LYS A 426 -24.011 -13.057 15.199 1.00 0.00 O ATOM 71 CB LYS A 426 -24.419 -15.847 16.415 1.00 0.00 C ATOM 72 CG LYS A 426 -24.602 -16.922 17.473 1.00 0.00 C ATOM 73 CD LYS A 426 -25.641 -17.949 17.052 1.00 0.00 C ATOM 74 CE LYS A 426 -25.235 -18.688 15.787 1.00 0.00 C ATOM 75 NZ LYS A 426 -24.026 -19.525 15.985 1.00 0.00 N ATOM 0 H LYS A 426 -25.061 -13.815 17.848 1.00 0.00 H new ATOM 0 HA LYS A 426 -22.544 -15.173 17.193 1.00 0.00 H new ATOM 0 HB2 LYS A 426 -25.392 -15.417 16.175 1.00 0.00 H new ATOM 0 HB3 LYS A 426 -24.041 -16.309 15.503 1.00 0.00 H new ATOM 0 HG2 LYS A 426 -23.650 -17.420 17.655 1.00 0.00 H new ATOM 0 HG3 LYS A 426 -24.905 -16.461 18.413 1.00 0.00 H new ATOM 0 HD2 LYS A 426 -25.788 -18.667 17.859 1.00 0.00 H new ATOM 0 HD3 LYS A 426 -26.597 -17.451 16.890 1.00 0.00 H new ATOM 0 HE2 LYS A 426 -26.060 -19.319 15.457 1.00 0.00 H new ATOM 0 HE3 LYS A 426 -25.048 -17.966 14.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 426 -23.867 -20.111 15.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 426 -23.201 -18.912 16.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 426 -24.161 -20.140 16.813 1.00 0.00 H new ATOM 89 N SER A 427 -21.944 -13.924 15.142 1.00 0.00 N ATOM 90 CA SER A 427 -21.533 -13.121 14.007 1.00 0.00 C ATOM 91 C SER A 427 -21.833 -13.857 12.708 1.00 0.00 C ATOM 92 O SER A 427 -21.264 -14.922 12.443 1.00 0.00 O ATOM 93 CB SER A 427 -20.037 -12.798 14.101 1.00 0.00 C ATOM 94 OG SER A 427 -19.679 -11.760 13.203 1.00 0.00 O ATOM 0 H SER A 427 -21.223 -14.548 15.503 1.00 0.00 H new ATOM 0 HA SER A 427 -22.093 -12.186 14.017 1.00 0.00 H new ATOM 0 HB2 SER A 427 -19.790 -12.502 15.120 1.00 0.00 H new ATOM 0 HB3 SER A 427 -19.455 -13.692 13.878 1.00 0.00 H new ATOM 0 HG SER A 427 -19.431 -12.147 12.338 1.00 0.00 H new ATOM 100 N GLY A 428 -22.701 -13.283 11.891 1.00 0.00 N ATOM 101 CA GLY A 428 -22.996 -13.870 10.601 1.00 0.00 C ATOM 102 C GLY A 428 -21.891 -13.592 9.610 1.00 0.00 C ATOM 103 O GLY A 428 -21.358 -14.507 8.981 1.00 0.00 O ATOM 0 H GLY A 428 -23.207 -12.422 12.097 1.00 0.00 H new ATOM 0 HA2 GLY A 428 -23.128 -14.946 10.710 1.00 0.00 H new ATOM 0 HA3 GLY A 428 -23.937 -13.470 10.223 1.00 0.00 H new ATOM 107 N VAL A 429 -21.472 -12.338 9.566 1.00 0.00 N ATOM 108 CA VAL A 429 -20.352 -11.929 8.735 1.00 0.00 C ATOM 109 C VAL A 429 -19.035 -12.365 9.374 1.00 0.00 C ATOM 110 O VAL A 429 -18.836 -12.189 10.579 1.00 0.00 O ATOM 111 CB VAL A 429 -20.339 -10.395 8.528 1.00 0.00 C ATOM 112 CG1 VAL A 429 -19.188 -9.969 7.628 1.00 0.00 C ATOM 113 CG2 VAL A 429 -21.663 -9.921 7.953 1.00 0.00 C ATOM 0 H VAL A 429 -21.895 -11.580 10.101 1.00 0.00 H new ATOM 0 HA VAL A 429 -20.465 -12.410 7.764 1.00 0.00 H new ATOM 0 HB VAL A 429 -20.195 -9.930 9.503 1.00 0.00 H new ATOM 0 HG11 VAL A 429 -19.206 -8.886 7.502 1.00 0.00 H new ATOM 0 HG12 VAL A 429 -18.242 -10.266 8.082 1.00 0.00 H new ATOM 0 HG13 VAL A 429 -19.290 -10.449 6.655 1.00 0.00 H new ATOM 0 HG21 VAL A 429 -21.634 -8.840 7.815 1.00 0.00 H new ATOM 0 HG22 VAL A 429 -21.836 -10.405 6.992 1.00 0.00 H new ATOM 0 HG23 VAL A 429 -22.470 -10.177 8.639 1.00 0.00 H new ATOM 123 N PRO A 430 -18.137 -12.983 8.589 1.00 0.00 N ATOM 124 CA PRO A 430 -16.825 -13.432 9.068 1.00 0.00 C ATOM 125 C PRO A 430 -15.882 -12.259 9.331 1.00 0.00 C ATOM 126 O PRO A 430 -14.877 -12.091 8.638 1.00 0.00 O ATOM 127 CB PRO A 430 -16.287 -14.307 7.921 1.00 0.00 C ATOM 128 CG PRO A 430 -17.430 -14.480 6.970 1.00 0.00 C ATOM 129 CD PRO A 430 -18.316 -13.283 7.162 1.00 0.00 C ATOM 0 HA PRO A 430 -16.901 -13.965 10.016 1.00 0.00 H new ATOM 0 HB2 PRO A 430 -15.439 -13.830 7.430 1.00 0.00 H new ATOM 0 HB3 PRO A 430 -15.939 -15.270 8.294 1.00 0.00 H new ATOM 0 HG2 PRO A 430 -17.075 -14.541 5.941 1.00 0.00 H new ATOM 0 HG3 PRO A 430 -17.972 -15.403 7.176 1.00 0.00 H new ATOM 0 HD2 PRO A 430 -18.013 -12.448 6.530 1.00 0.00 H new ATOM 0 HD3 PRO A 430 -19.356 -13.504 6.921 1.00 0.00 H new ATOM 137 N VAL A 431 -16.260 -11.405 10.278 1.00 0.00 N ATOM 138 CA VAL A 431 -15.502 -10.195 10.602 1.00 0.00 C ATOM 139 C VAL A 431 -14.202 -10.511 11.347 1.00 0.00 C ATOM 140 O VAL A 431 -13.865 -9.868 12.346 1.00 0.00 O ATOM 141 CB VAL A 431 -16.342 -9.204 11.439 1.00 0.00 C ATOM 142 CG1 VAL A 431 -17.439 -8.591 10.589 1.00 0.00 C ATOM 143 CG2 VAL A 431 -16.935 -9.889 12.662 1.00 0.00 C ATOM 0 H VAL A 431 -17.100 -11.530 10.844 1.00 0.00 H new ATOM 0 HA VAL A 431 -15.251 -9.732 9.648 1.00 0.00 H new ATOM 0 HB VAL A 431 -15.683 -8.408 11.785 1.00 0.00 H new ATOM 0 HG11 VAL A 431 -18.022 -7.895 11.193 1.00 0.00 H new ATOM 0 HG12 VAL A 431 -16.993 -8.057 9.749 1.00 0.00 H new ATOM 0 HG13 VAL A 431 -18.091 -9.379 10.213 1.00 0.00 H new ATOM 0 HG21 VAL A 431 -17.521 -9.169 13.234 1.00 0.00 H new ATOM 0 HG22 VAL A 431 -17.578 -10.710 12.343 1.00 0.00 H new ATOM 0 HG23 VAL A 431 -16.131 -10.279 13.286 1.00 0.00 H new ATOM 153 N THR A 432 -13.446 -11.458 10.818 1.00 0.00 N ATOM 154 CA THR A 432 -12.157 -11.807 11.374 1.00 0.00 C ATOM 155 C THR A 432 -11.112 -10.763 10.976 1.00 0.00 C ATOM 156 O THR A 432 -11.109 -10.281 9.835 1.00 0.00 O ATOM 157 CB THR A 432 -11.718 -13.221 10.922 1.00 0.00 C ATOM 158 OG1 THR A 432 -10.467 -13.576 11.523 1.00 0.00 O ATOM 159 CG2 THR A 432 -11.601 -13.308 9.407 1.00 0.00 C ATOM 0 H THR A 432 -13.709 -12.002 9.996 1.00 0.00 H new ATOM 0 HA THR A 432 -12.245 -11.819 12.460 1.00 0.00 H new ATOM 0 HB THR A 432 -12.486 -13.922 11.249 1.00 0.00 H new ATOM 0 HG1 THR A 432 -10.205 -14.473 11.228 1.00 0.00 H new ATOM 0 HG21 THR A 432 -11.291 -14.314 9.123 1.00 0.00 H new ATOM 0 HG22 THR A 432 -12.567 -13.085 8.954 1.00 0.00 H new ATOM 0 HG23 THR A 432 -10.861 -12.588 9.057 1.00 0.00 H new ATOM 167 N GLN A 433 -10.289 -10.364 11.949 1.00 0.00 N ATOM 168 CA GLN A 433 -9.266 -9.329 11.764 1.00 0.00 C ATOM 169 C GLN A 433 -9.898 -7.945 11.615 1.00 0.00 C ATOM 170 O GLN A 433 -10.972 -7.792 11.036 1.00 0.00 O ATOM 171 CB GLN A 433 -8.381 -9.634 10.551 1.00 0.00 C ATOM 172 CG GLN A 433 -7.685 -10.980 10.633 1.00 0.00 C ATOM 173 CD GLN A 433 -6.867 -11.293 9.395 1.00 0.00 C ATOM 174 OE1 GLN A 433 -7.389 -11.317 8.279 1.00 0.00 O ATOM 175 NE2 GLN A 433 -5.582 -11.537 9.586 1.00 0.00 N ATOM 0 H GLN A 433 -10.313 -10.751 12.892 1.00 0.00 H new ATOM 0 HA GLN A 433 -8.642 -9.330 12.657 1.00 0.00 H new ATOM 0 HB2 GLN A 433 -8.992 -9.604 9.649 1.00 0.00 H new ATOM 0 HB3 GLN A 433 -7.629 -8.851 10.453 1.00 0.00 H new ATOM 0 HG2 GLN A 433 -7.034 -10.995 11.507 1.00 0.00 H new ATOM 0 HG3 GLN A 433 -8.431 -11.762 10.778 1.00 0.00 H new ATOM 0 HE21 GLN A 433 -5.192 -11.506 10.528 1.00 0.00 H new ATOM 0 HE22 GLN A 433 -4.981 -11.756 8.792 1.00 0.00 H new ATOM 184 N THR A 434 -9.229 -6.935 12.152 1.00 0.00 N ATOM 185 CA THR A 434 -9.714 -5.560 12.082 1.00 0.00 C ATOM 186 C THR A 434 -9.487 -4.953 10.696 1.00 0.00 C ATOM 187 O THR A 434 -8.872 -3.893 10.565 1.00 0.00 O ATOM 188 CB THR A 434 -9.024 -4.686 13.144 1.00 0.00 C ATOM 189 OG1 THR A 434 -7.639 -5.046 13.240 1.00 0.00 O ATOM 190 CG2 THR A 434 -9.699 -4.847 14.499 1.00 0.00 C ATOM 0 H THR A 434 -8.342 -7.041 12.645 1.00 0.00 H new ATOM 0 HA THR A 434 -10.786 -5.586 12.276 1.00 0.00 H new ATOM 0 HB THR A 434 -9.107 -3.642 12.843 1.00 0.00 H new ATOM 0 HG1 THR A 434 -7.202 -4.487 13.916 1.00 0.00 H new ATOM 0 HG21 THR A 434 -9.194 -4.220 15.234 1.00 0.00 H new ATOM 0 HG22 THR A 434 -10.744 -4.547 14.423 1.00 0.00 H new ATOM 0 HG23 THR A 434 -9.643 -5.890 14.812 1.00 0.00 H new ATOM 198 N GLN A 435 -9.933 -5.660 9.663 1.00 0.00 N ATOM 199 CA GLN A 435 -9.722 -5.232 8.284 1.00 0.00 C ATOM 200 C GLN A 435 -10.652 -5.995 7.343 1.00 0.00 C ATOM 201 O GLN A 435 -10.317 -6.258 6.186 1.00 0.00 O ATOM 202 CB GLN A 435 -8.253 -5.455 7.894 1.00 0.00 C ATOM 203 CG GLN A 435 -7.791 -6.897 8.059 1.00 0.00 C ATOM 204 CD GLN A 435 -6.282 -7.064 7.998 1.00 0.00 C ATOM 205 OE1 GLN A 435 -5.546 -5.961 8.025 1.00 0.00 O flip ATOM 206 NE2 GLN A 435 -5.779 -8.185 7.949 1.00 0.00 N flip ATOM 0 H GLN A 435 -10.446 -6.537 9.755 1.00 0.00 H new ATOM 0 HA GLN A 435 -9.952 -4.170 8.199 1.00 0.00 H new ATOM 0 HB2 GLN A 435 -8.111 -5.153 6.856 1.00 0.00 H new ATOM 0 HB3 GLN A 435 -7.622 -4.808 8.503 1.00 0.00 H new ATOM 0 HG2 GLN A 435 -8.152 -7.278 9.014 1.00 0.00 H new ATOM 0 HG3 GLN A 435 -8.247 -7.507 7.280 1.00 0.00 H new ATOM 0 HE21 GLN A 435 -6.376 -9.012 7.930 1.00 0.00 H new ATOM 0 HE22 GLN A 435 -4.764 -8.288 7.928 1.00 0.00 H new ATOM 215 N THR A 436 -11.839 -6.321 7.842 1.00 0.00 N ATOM 216 CA THR A 436 -12.840 -7.019 7.048 1.00 0.00 C ATOM 217 C THR A 436 -13.595 -6.036 6.158 1.00 0.00 C ATOM 218 O THR A 436 -14.120 -5.031 6.646 1.00 0.00 O ATOM 219 CB THR A 436 -13.848 -7.745 7.957 1.00 0.00 C ATOM 220 OG1 THR A 436 -13.175 -8.253 9.119 1.00 0.00 O ATOM 221 CG2 THR A 436 -14.523 -8.890 7.216 1.00 0.00 C ATOM 0 H THR A 436 -12.131 -6.112 8.797 1.00 0.00 H new ATOM 0 HA THR A 436 -12.322 -7.750 6.428 1.00 0.00 H new ATOM 0 HB THR A 436 -14.614 -7.030 8.259 1.00 0.00 H new ATOM 0 HG1 THR A 436 -12.556 -8.965 8.853 1.00 0.00 H new ATOM 0 HG21 THR A 436 -15.230 -9.387 7.880 1.00 0.00 H new ATOM 0 HG22 THR A 436 -15.054 -8.499 6.348 1.00 0.00 H new ATOM 0 HG23 THR A 436 -13.769 -9.606 6.888 1.00 0.00 H new ATOM 229 N ALA A 437 -13.639 -6.316 4.860 1.00 0.00 N ATOM 230 CA ALA A 437 -14.325 -5.447 3.912 1.00 0.00 C ATOM 231 C ALA A 437 -14.520 -6.140 2.570 1.00 0.00 C ATOM 232 O ALA A 437 -15.537 -5.941 1.902 1.00 0.00 O ATOM 233 CB ALA A 437 -13.549 -4.150 3.719 1.00 0.00 C ATOM 0 H ALA A 437 -13.207 -7.139 4.440 1.00 0.00 H new ATOM 0 HA ALA A 437 -15.307 -5.216 4.324 1.00 0.00 H new ATOM 0 HB1 ALA A 437 -14.076 -3.513 3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 437 -13.462 -3.633 4.674 1.00 0.00 H new ATOM 0 HB3 ALA A 437 -12.554 -4.375 3.336 1.00 0.00 H new ATOM 239 N GLY A 438 -13.513 -6.892 2.146 1.00 0.00 N ATOM 240 CA GLY A 438 -13.556 -7.524 0.844 1.00 0.00 C ATOM 241 C GLY A 438 -13.475 -6.500 -0.266 1.00 0.00 C ATOM 242 O GLY A 438 -14.269 -6.525 -1.211 1.00 0.00 O ATOM 0 H GLY A 438 -12.665 -7.075 2.683 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -12.730 -8.229 0.752 1.00 0.00 H new ATOM 0 HA3 GLY A 438 -14.478 -8.098 0.746 1.00 0.00 H new ATOM 246 N ALA A 439 -12.562 -5.551 -0.110 1.00 0.00 N ATOM 247 CA ALA A 439 -12.423 -4.462 -1.062 1.00 0.00 C ATOM 248 C ALA A 439 -10.985 -3.970 -1.119 1.00 0.00 C ATOM 249 O ALA A 439 -10.428 -3.775 -2.198 1.00 0.00 O ATOM 250 CB ALA A 439 -13.353 -3.317 -0.692 1.00 0.00 C ATOM 0 H ALA A 439 -11.906 -5.515 0.670 1.00 0.00 H new ATOM 0 HA ALA A 439 -12.696 -4.837 -2.049 1.00 0.00 H new ATOM 0 HB1 ALA A 439 -13.239 -2.508 -1.413 1.00 0.00 H new ATOM 0 HB2 ALA A 439 -14.385 -3.669 -0.702 1.00 0.00 H new ATOM 0 HB3 ALA A 439 -13.103 -2.953 0.304 1.00 0.00 H new ATOM 256 N ASP A 440 -10.379 -3.782 0.045 1.00 0.00 N ATOM 257 CA ASP A 440 -9.002 -3.318 0.105 1.00 0.00 C ATOM 258 C ASP A 440 -8.042 -4.435 -0.258 1.00 0.00 C ATOM 259 O ASP A 440 -7.965 -5.453 0.437 1.00 0.00 O ATOM 260 CB ASP A 440 -8.660 -2.769 1.494 1.00 0.00 C ATOM 261 CG ASP A 440 -9.351 -1.456 1.787 1.00 0.00 C ATOM 262 OD1 ASP A 440 -9.219 -0.515 0.979 1.00 0.00 O ATOM 263 OD2 ASP A 440 -10.016 -1.351 2.839 1.00 0.00 O ATOM 0 H ASP A 440 -10.815 -3.942 0.953 1.00 0.00 H new ATOM 0 HA ASP A 440 -8.897 -2.511 -0.620 1.00 0.00 H new ATOM 0 HB2 ASP A 440 -8.944 -3.501 2.250 1.00 0.00 H new ATOM 0 HB3 ASP A 440 -7.581 -2.633 1.571 1.00 0.00 H new ATOM 268 N THR A 441 -7.281 -4.218 -1.323 1.00 0.00 N ATOM 269 CA THR A 441 -6.282 -5.176 -1.763 1.00 0.00 C ATOM 270 C THR A 441 -5.143 -5.277 -0.751 1.00 0.00 C ATOM 271 O THR A 441 -4.602 -6.361 -0.510 1.00 0.00 O ATOM 272 CB THR A 441 -5.730 -4.789 -3.146 1.00 0.00 C ATOM 273 OG1 THR A 441 -5.794 -3.365 -3.316 1.00 0.00 O ATOM 274 CG2 THR A 441 -6.519 -5.470 -4.252 1.00 0.00 C ATOM 0 H THR A 441 -7.340 -3.379 -1.900 1.00 0.00 H new ATOM 0 HA THR A 441 -6.763 -6.151 -1.840 1.00 0.00 H new ATOM 0 HB THR A 441 -4.692 -5.118 -3.205 1.00 0.00 H new ATOM 0 HG1 THR A 441 -5.440 -3.125 -4.197 1.00 0.00 H new ATOM 0 HG21 THR A 441 -6.111 -5.182 -5.221 1.00 0.00 H new ATOM 0 HG22 THR A 441 -6.449 -6.552 -4.136 1.00 0.00 H new ATOM 0 HG23 THR A 441 -7.564 -5.166 -4.194 1.00 0.00 H new ATOM 282 N THR A 442 -4.848 -4.160 -0.101 1.00 0.00 N ATOM 283 CA THR A 442 -3.831 -4.122 0.930 1.00 0.00 C ATOM 284 C THR A 442 -4.198 -3.102 2.005 1.00 0.00 C ATOM 285 O THR A 442 -4.600 -1.977 1.702 1.00 0.00 O ATOM 286 CB THR A 442 -2.442 -3.785 0.339 1.00 0.00 C ATOM 287 OG1 THR A 442 -1.482 -3.604 1.390 1.00 0.00 O ATOM 288 CG2 THR A 442 -2.498 -2.533 -0.523 1.00 0.00 C ATOM 0 H THR A 442 -5.304 -3.264 -0.274 1.00 0.00 H new ATOM 0 HA THR A 442 -3.780 -5.114 1.379 1.00 0.00 H new ATOM 0 HB THR A 442 -2.138 -4.623 -0.288 1.00 0.00 H new ATOM 0 HG1 THR A 442 -0.607 -3.393 1.001 1.00 0.00 H new ATOM 0 HG21 THR A 442 -1.506 -2.323 -0.924 1.00 0.00 H new ATOM 0 HG22 THR A 442 -3.196 -2.688 -1.345 1.00 0.00 H new ATOM 0 HG23 THR A 442 -2.831 -1.690 0.082 1.00 0.00 H new ATOM 296 N ALA A 443 -4.121 -3.524 3.259 1.00 0.00 N ATOM 297 CA ALA A 443 -4.470 -2.670 4.384 1.00 0.00 C ATOM 298 C ALA A 443 -3.304 -1.759 4.767 1.00 0.00 C ATOM 299 O ALA A 443 -2.958 -1.640 5.946 1.00 0.00 O ATOM 300 CB ALA A 443 -4.901 -3.518 5.574 1.00 0.00 C ATOM 0 H ALA A 443 -3.817 -4.461 3.524 1.00 0.00 H new ATOM 0 HA ALA A 443 -5.304 -2.035 4.085 1.00 0.00 H new ATOM 0 HB1 ALA A 443 -5.160 -2.868 6.410 1.00 0.00 H new ATOM 0 HB2 ALA A 443 -5.769 -4.117 5.298 1.00 0.00 H new ATOM 0 HB3 ALA A 443 -4.083 -4.177 5.867 1.00 0.00 H new ATOM 306 N GLU A 444 -2.705 -1.124 3.758 1.00 0.00 N ATOM 307 CA GLU A 444 -1.590 -0.210 3.949 1.00 0.00 C ATOM 308 C GLU A 444 -0.441 -0.893 4.695 1.00 0.00 C ATOM 309 O GLU A 444 0.155 -0.333 5.613 1.00 0.00 O ATOM 310 CB GLU A 444 -2.064 1.045 4.677 1.00 0.00 C ATOM 311 CG GLU A 444 -1.047 2.166 4.698 1.00 0.00 C ATOM 312 CD GLU A 444 -1.480 3.339 5.550 1.00 0.00 C ATOM 313 OE1 GLU A 444 -1.723 3.141 6.761 1.00 0.00 O ATOM 314 OE2 GLU A 444 -1.577 4.465 5.020 1.00 0.00 O ATOM 0 H GLU A 444 -2.985 -1.233 2.783 1.00 0.00 H new ATOM 0 HA GLU A 444 -1.207 0.086 2.972 1.00 0.00 H new ATOM 0 HB2 GLU A 444 -2.977 1.405 4.202 1.00 0.00 H new ATOM 0 HB3 GLU A 444 -2.321 0.782 5.703 1.00 0.00 H new ATOM 0 HG2 GLU A 444 -0.098 1.782 5.073 1.00 0.00 H new ATOM 0 HG3 GLU A 444 -0.871 2.509 3.679 1.00 0.00 H new ATOM 321 N LYS A 445 -0.109 -2.097 4.263 1.00 0.00 N ATOM 322 CA LYS A 445 1.009 -2.820 4.831 1.00 0.00 C ATOM 323 C LYS A 445 2.307 -2.256 4.267 1.00 0.00 C ATOM 324 O LYS A 445 3.327 -2.195 4.949 1.00 0.00 O ATOM 325 CB LYS A 445 0.880 -4.313 4.521 1.00 0.00 C ATOM 326 CG LYS A 445 1.992 -5.161 5.110 1.00 0.00 C ATOM 327 CD LYS A 445 1.963 -5.175 6.637 1.00 0.00 C ATOM 328 CE LYS A 445 0.907 -6.127 7.190 1.00 0.00 C ATOM 329 NZ LYS A 445 -0.481 -5.630 6.993 1.00 0.00 N ATOM 0 H LYS A 445 -0.600 -2.593 3.519 1.00 0.00 H new ATOM 0 HA LYS A 445 1.014 -2.701 5.914 1.00 0.00 H new ATOM 0 HB2 LYS A 445 -0.077 -4.672 4.900 1.00 0.00 H new ATOM 0 HB3 LYS A 445 0.866 -4.450 3.440 1.00 0.00 H new ATOM 0 HG2 LYS A 445 1.904 -6.182 4.738 1.00 0.00 H new ATOM 0 HG3 LYS A 445 2.955 -4.780 4.771 1.00 0.00 H new ATOM 0 HD2 LYS A 445 2.944 -5.466 7.014 1.00 0.00 H new ATOM 0 HD3 LYS A 445 1.767 -4.167 7.003 1.00 0.00 H new ATOM 0 HE2 LYS A 445 1.012 -7.098 6.706 1.00 0.00 H new ATOM 0 HE3 LYS A 445 1.085 -6.280 8.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 445 -1.060 -5.880 7.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 445 -0.467 -4.596 6.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 445 -0.888 -6.066 6.141 1.00 0.00 H new ATOM 343 N CYS A 446 2.241 -1.835 3.014 1.00 0.00 N ATOM 344 CA CYS A 446 3.383 -1.262 2.326 1.00 0.00 C ATOM 345 C CYS A 446 3.182 0.228 2.079 1.00 0.00 C ATOM 346 O CYS A 446 4.147 0.968 1.891 1.00 0.00 O ATOM 347 CB CYS A 446 3.595 -1.974 0.992 1.00 0.00 C ATOM 348 SG CYS A 446 3.868 -3.765 1.146 1.00 0.00 S ATOM 0 H CYS A 446 1.394 -1.882 2.447 1.00 0.00 H new ATOM 0 HA CYS A 446 4.261 -1.393 2.958 1.00 0.00 H new ATOM 0 HB2 CYS A 446 2.725 -1.802 0.358 1.00 0.00 H new ATOM 0 HB3 CYS A 446 4.451 -1.528 0.486 1.00 0.00 H new ATOM 353 N LYS A 447 1.923 0.633 1.957 1.00 0.00 N ATOM 354 CA LYS A 447 1.591 1.995 1.579 1.00 0.00 C ATOM 355 C LYS A 447 2.114 3.000 2.606 1.00 0.00 C ATOM 356 O LYS A 447 1.873 2.871 3.805 1.00 0.00 O ATOM 357 CB LYS A 447 0.068 2.116 1.404 1.00 0.00 C ATOM 358 CG LYS A 447 -0.408 3.428 0.791 1.00 0.00 C ATOM 359 CD LYS A 447 -0.597 4.512 1.840 1.00 0.00 C ATOM 360 CE LYS A 447 -1.149 5.791 1.236 1.00 0.00 C ATOM 361 NZ LYS A 447 -0.208 6.401 0.261 1.00 0.00 N ATOM 0 H LYS A 447 1.114 0.032 2.116 1.00 0.00 H new ATOM 0 HA LYS A 447 2.077 2.229 0.632 1.00 0.00 H new ATOM 0 HB2 LYS A 447 -0.277 1.293 0.778 1.00 0.00 H new ATOM 0 HB3 LYS A 447 -0.405 1.995 2.378 1.00 0.00 H new ATOM 0 HG2 LYS A 447 0.315 3.765 0.048 1.00 0.00 H new ATOM 0 HG3 LYS A 447 -1.349 3.263 0.267 1.00 0.00 H new ATOM 0 HD2 LYS A 447 -1.275 4.154 2.615 1.00 0.00 H new ATOM 0 HD3 LYS A 447 0.358 4.721 2.323 1.00 0.00 H new ATOM 0 HE2 LYS A 447 -2.096 5.578 0.740 1.00 0.00 H new ATOM 0 HE3 LYS A 447 -1.359 6.506 2.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 -0.562 7.337 -0.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 0.729 6.504 0.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 -0.132 5.790 -0.577 1.00 0.00 H new ATOM 375 N GLY A 448 2.791 4.026 2.108 1.00 0.00 N ATOM 376 CA GLY A 448 3.257 5.109 2.951 1.00 0.00 C ATOM 377 C GLY A 448 4.455 4.758 3.820 1.00 0.00 C ATOM 378 O GLY A 448 4.808 5.528 4.714 1.00 0.00 O ATOM 0 H GLY A 448 3.028 4.127 1.121 1.00 0.00 H new ATOM 0 HA2 GLY A 448 3.518 5.958 2.320 1.00 0.00 H new ATOM 0 HA3 GLY A 448 2.438 5.430 3.595 1.00 0.00 H new ATOM 382 N LYS A 449 5.163 3.678 3.500 1.00 0.00 N ATOM 383 CA LYS A 449 6.393 3.369 4.212 1.00 0.00 C ATOM 384 C LYS A 449 7.589 3.957 3.480 1.00 0.00 C ATOM 385 O LYS A 449 7.664 3.895 2.251 1.00 0.00 O ATOM 386 CB LYS A 449 6.579 1.862 4.394 1.00 0.00 C ATOM 387 CG LYS A 449 5.571 1.239 5.343 1.00 0.00 C ATOM 388 CD LYS A 449 6.026 -0.126 5.842 1.00 0.00 C ATOM 389 CE LYS A 449 6.142 -1.144 4.716 1.00 0.00 C ATOM 390 NZ LYS A 449 6.394 -2.518 5.230 1.00 0.00 N ATOM 0 H LYS A 449 4.911 3.016 2.767 1.00 0.00 H new ATOM 0 HA LYS A 449 6.320 3.818 5.203 1.00 0.00 H new ATOM 0 HB2 LYS A 449 6.501 1.374 3.422 1.00 0.00 H new ATOM 0 HB3 LYS A 449 7.585 1.670 4.768 1.00 0.00 H new ATOM 0 HG2 LYS A 449 5.415 1.903 6.194 1.00 0.00 H new ATOM 0 HG3 LYS A 449 4.611 1.139 4.837 1.00 0.00 H new ATOM 0 HD2 LYS A 449 6.991 -0.026 6.339 1.00 0.00 H new ATOM 0 HD3 LYS A 449 5.320 -0.491 6.588 1.00 0.00 H new ATOM 0 HE2 LYS A 449 5.225 -1.140 4.128 1.00 0.00 H new ATOM 0 HE3 LYS A 449 6.951 -0.853 4.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 449 6.962 -3.048 4.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 449 6.909 -2.462 6.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 449 5.487 -3.005 5.379 1.00 0.00 H new ATOM 404 N GLY A 450 8.513 4.529 4.237 1.00 0.00 N ATOM 405 CA GLY A 450 9.713 5.098 3.651 1.00 0.00 C ATOM 406 C GLY A 450 10.646 4.027 3.125 1.00 0.00 C ATOM 407 O GLY A 450 10.453 2.854 3.414 1.00 0.00 O ATOM 0 H GLY A 450 8.454 4.610 5.252 1.00 0.00 H new ATOM 0 HA2 GLY A 450 9.437 5.770 2.839 1.00 0.00 H new ATOM 0 HA3 GLY A 450 10.233 5.698 4.398 1.00 0.00 H new ATOM 411 N GLU A 451 11.627 4.421 2.326 1.00 0.00 N ATOM 412 CA GLU A 451 12.554 3.471 1.709 1.00 0.00 C ATOM 413 C GLU A 451 13.308 2.657 2.759 1.00 0.00 C ATOM 414 O GLU A 451 13.610 1.481 2.554 1.00 0.00 O ATOM 415 CB GLU A 451 13.531 4.208 0.793 1.00 0.00 C ATOM 416 CG GLU A 451 14.511 3.299 0.074 1.00 0.00 C ATOM 417 CD GLU A 451 15.395 4.057 -0.890 1.00 0.00 C ATOM 418 OE1 GLU A 451 14.861 4.691 -1.821 1.00 0.00 O ATOM 419 OE2 GLU A 451 16.631 4.021 -0.730 1.00 0.00 O ATOM 0 H GLU A 451 11.806 5.396 2.086 1.00 0.00 H new ATOM 0 HA GLU A 451 11.969 2.771 1.112 1.00 0.00 H new ATOM 0 HB2 GLU A 451 12.964 4.771 0.052 1.00 0.00 H new ATOM 0 HB3 GLU A 451 14.091 4.933 1.384 1.00 0.00 H new ATOM 0 HG2 GLU A 451 15.133 2.786 0.808 1.00 0.00 H new ATOM 0 HG3 GLU A 451 13.960 2.531 -0.469 1.00 0.00 H new ATOM 426 N LYS A 452 13.615 3.279 3.885 1.00 0.00 N ATOM 427 CA LYS A 452 14.312 2.589 4.961 1.00 0.00 C ATOM 428 C LYS A 452 13.397 1.550 5.608 1.00 0.00 C ATOM 429 O LYS A 452 13.810 0.416 5.863 1.00 0.00 O ATOM 430 CB LYS A 452 14.804 3.589 6.009 1.00 0.00 C ATOM 431 CG LYS A 452 15.760 4.634 5.453 1.00 0.00 C ATOM 432 CD LYS A 452 16.173 5.638 6.517 1.00 0.00 C ATOM 433 CE LYS A 452 14.974 6.392 7.080 1.00 0.00 C ATOM 434 NZ LYS A 452 14.286 7.210 6.047 1.00 0.00 N ATOM 0 H LYS A 452 13.395 4.256 4.079 1.00 0.00 H new ATOM 0 HA LYS A 452 15.177 2.077 4.539 1.00 0.00 H new ATOM 0 HB2 LYS A 452 13.944 4.093 6.449 1.00 0.00 H new ATOM 0 HB3 LYS A 452 15.301 3.045 6.813 1.00 0.00 H new ATOM 0 HG2 LYS A 452 16.646 4.141 5.054 1.00 0.00 H new ATOM 0 HG3 LYS A 452 15.285 5.157 4.623 1.00 0.00 H new ATOM 0 HD2 LYS A 452 16.688 5.119 7.325 1.00 0.00 H new ATOM 0 HD3 LYS A 452 16.882 6.348 6.091 1.00 0.00 H new ATOM 0 HE2 LYS A 452 14.267 5.680 7.506 1.00 0.00 H new ATOM 0 HE3 LYS A 452 15.304 7.039 7.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 452 13.577 7.819 6.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 452 14.983 7.801 5.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 452 13.816 6.583 5.364 1.00 0.00 H new ATOM 448 N ASP A 453 12.153 1.942 5.860 1.00 0.00 N ATOM 449 CA ASP A 453 11.176 1.058 6.496 1.00 0.00 C ATOM 450 C ASP A 453 10.651 0.008 5.522 1.00 0.00 C ATOM 451 O ASP A 453 10.503 -1.160 5.878 1.00 0.00 O ATOM 452 CB ASP A 453 10.003 1.859 7.066 1.00 0.00 C ATOM 453 CG ASP A 453 10.380 2.664 8.293 1.00 0.00 C ATOM 454 OD1 ASP A 453 11.189 3.607 8.169 1.00 0.00 O ATOM 455 OD2 ASP A 453 9.862 2.361 9.390 1.00 0.00 O ATOM 0 H ASP A 453 11.794 2.869 5.633 1.00 0.00 H new ATOM 0 HA ASP A 453 11.690 0.548 7.310 1.00 0.00 H new ATOM 0 HB2 ASP A 453 9.623 2.533 6.298 1.00 0.00 H new ATOM 0 HB3 ASP A 453 9.193 1.176 7.321 1.00 0.00 H new ATOM 460 N CYS A 454 10.331 0.437 4.310 1.00 0.00 N ATOM 461 CA CYS A 454 9.805 -0.457 3.291 1.00 0.00 C ATOM 462 C CYS A 454 10.945 -1.231 2.639 1.00 0.00 C ATOM 463 O CYS A 454 11.805 -0.646 1.984 1.00 0.00 O ATOM 464 CB CYS A 454 9.031 0.339 2.235 1.00 0.00 C ATOM 465 SG CYS A 454 7.470 -0.455 1.724 1.00 0.00 S ATOM 0 H CYS A 454 10.428 1.406 4.008 1.00 0.00 H new ATOM 0 HA CYS A 454 9.122 -1.165 3.761 1.00 0.00 H new ATOM 0 HB2 CYS A 454 8.813 1.332 2.628 1.00 0.00 H new ATOM 0 HB3 CYS A 454 9.664 0.475 1.358 1.00 0.00 H new ATOM 470 N LYS A 455 10.943 -2.546 2.810 1.00 0.00 N ATOM 471 CA LYS A 455 11.967 -3.394 2.212 1.00 0.00 C ATOM 472 C LYS A 455 11.548 -3.804 0.815 1.00 0.00 C ATOM 473 O LYS A 455 10.361 -3.956 0.551 1.00 0.00 O ATOM 474 CB LYS A 455 12.231 -4.644 3.065 1.00 0.00 C ATOM 475 CG LYS A 455 13.122 -4.403 4.276 1.00 0.00 C ATOM 476 CD LYS A 455 12.422 -3.588 5.348 1.00 0.00 C ATOM 477 CE LYS A 455 13.347 -3.296 6.518 1.00 0.00 C ATOM 478 NZ LYS A 455 14.527 -2.491 6.104 1.00 0.00 N ATOM 0 H LYS A 455 10.245 -3.049 3.357 1.00 0.00 H new ATOM 0 HA LYS A 455 12.891 -2.818 2.162 1.00 0.00 H new ATOM 0 HB2 LYS A 455 11.276 -5.045 3.406 1.00 0.00 H new ATOM 0 HB3 LYS A 455 12.691 -5.407 2.437 1.00 0.00 H new ATOM 0 HG2 LYS A 455 13.431 -5.361 4.694 1.00 0.00 H new ATOM 0 HG3 LYS A 455 14.028 -3.885 3.961 1.00 0.00 H new ATOM 0 HD2 LYS A 455 12.067 -2.650 4.920 1.00 0.00 H new ATOM 0 HD3 LYS A 455 11.544 -4.129 5.703 1.00 0.00 H new ATOM 0 HE2 LYS A 455 12.796 -2.761 7.292 1.00 0.00 H new ATOM 0 HE3 LYS A 455 13.684 -4.235 6.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 15.107 -2.270 6.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 15.095 -3.033 5.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 14.206 -1.606 5.662 1.00 0.00 H new ATOM 492 N SER A 456 12.517 -3.980 -0.067 1.00 0.00 N ATOM 493 CA SER A 456 12.245 -4.372 -1.447 1.00 0.00 C ATOM 494 C SER A 456 11.581 -5.760 -1.522 1.00 0.00 C ATOM 495 O SER A 456 10.525 -5.900 -2.140 1.00 0.00 O ATOM 496 CB SER A 456 13.533 -4.329 -2.280 1.00 0.00 C ATOM 497 OG SER A 456 13.268 -4.543 -3.658 1.00 0.00 O ATOM 0 H SER A 456 13.507 -3.858 0.146 1.00 0.00 H new ATOM 0 HA SER A 456 11.540 -3.655 -1.866 1.00 0.00 H new ATOM 0 HB2 SER A 456 14.021 -3.363 -2.148 1.00 0.00 H new ATOM 0 HB3 SER A 456 14.226 -5.089 -1.919 1.00 0.00 H new ATOM 0 HG SER A 456 14.108 -4.508 -4.162 1.00 0.00 H new ATOM 503 N PRO A 457 12.152 -6.808 -0.877 1.00 0.00 N ATOM 504 CA PRO A 457 11.521 -8.135 -0.855 1.00 0.00 C ATOM 505 C PRO A 457 10.157 -8.094 -0.168 1.00 0.00 C ATOM 506 O PRO A 457 9.244 -8.844 -0.517 1.00 0.00 O ATOM 507 CB PRO A 457 12.500 -8.997 -0.052 1.00 0.00 C ATOM 508 CG PRO A 457 13.304 -8.031 0.745 1.00 0.00 C ATOM 509 CD PRO A 457 13.399 -6.785 -0.085 1.00 0.00 C ATOM 0 HA PRO A 457 11.337 -8.519 -1.858 1.00 0.00 H new ATOM 0 HB2 PRO A 457 11.970 -9.697 0.594 1.00 0.00 H new ATOM 0 HB3 PRO A 457 13.135 -9.590 -0.710 1.00 0.00 H new ATOM 0 HG2 PRO A 457 12.828 -7.825 1.704 1.00 0.00 H new ATOM 0 HG3 PRO A 457 14.294 -8.432 0.960 1.00 0.00 H new ATOM 0 HD2 PRO A 457 13.464 -5.892 0.536 1.00 0.00 H new ATOM 0 HD3 PRO A 457 14.282 -6.794 -0.724 1.00 0.00 H new ATOM 517 N ASP A 458 10.032 -7.189 0.796 1.00 0.00 N ATOM 518 CA ASP A 458 8.787 -6.994 1.528 1.00 0.00 C ATOM 519 C ASP A 458 7.736 -6.327 0.650 1.00 0.00 C ATOM 520 O ASP A 458 6.572 -6.729 0.636 1.00 0.00 O ATOM 521 CB ASP A 458 9.037 -6.115 2.759 1.00 0.00 C ATOM 522 CG ASP A 458 7.808 -5.948 3.632 1.00 0.00 C ATOM 523 OD1 ASP A 458 6.932 -6.837 3.621 1.00 0.00 O ATOM 524 OD2 ASP A 458 7.734 -4.942 4.378 1.00 0.00 O ATOM 0 H ASP A 458 10.789 -6.572 1.091 1.00 0.00 H new ATOM 0 HA ASP A 458 8.421 -7.974 1.836 1.00 0.00 H new ATOM 0 HB2 ASP A 458 9.840 -6.552 3.353 1.00 0.00 H new ATOM 0 HB3 ASP A 458 9.380 -5.133 2.433 1.00 0.00 H new ATOM 529 N CYS A 459 8.138 -5.259 -0.021 1.00 0.00 N ATOM 530 CA CYS A 459 7.217 -4.439 -0.790 1.00 0.00 C ATOM 531 C CYS A 459 7.930 -3.837 -1.994 1.00 0.00 C ATOM 532 O CYS A 459 9.107 -3.491 -1.915 1.00 0.00 O ATOM 533 CB CYS A 459 6.670 -3.317 0.096 1.00 0.00 C ATOM 534 SG CYS A 459 5.834 -3.881 1.617 1.00 0.00 S ATOM 0 H CYS A 459 9.106 -4.938 -0.048 1.00 0.00 H new ATOM 0 HA CYS A 459 6.394 -5.062 -1.141 1.00 0.00 H new ATOM 0 HB2 CYS A 459 7.493 -2.658 0.374 1.00 0.00 H new ATOM 0 HB3 CYS A 459 5.968 -2.721 -0.488 1.00 0.00 H new ATOM 539 N LYS A 460 7.230 -3.736 -3.112 1.00 0.00 N ATOM 540 CA LYS A 460 7.824 -3.211 -4.327 1.00 0.00 C ATOM 541 C LYS A 460 8.089 -1.715 -4.197 1.00 0.00 C ATOM 542 O LYS A 460 7.175 -0.929 -3.932 1.00 0.00 O ATOM 543 CB LYS A 460 6.914 -3.486 -5.525 1.00 0.00 C ATOM 544 CG LYS A 460 7.575 -3.212 -6.866 1.00 0.00 C ATOM 545 CD LYS A 460 6.666 -3.585 -8.026 1.00 0.00 C ATOM 546 CE LYS A 460 6.288 -5.061 -7.996 1.00 0.00 C ATOM 547 NZ LYS A 460 7.479 -5.946 -8.087 1.00 0.00 N ATOM 0 H LYS A 460 6.252 -4.010 -3.202 1.00 0.00 H new ATOM 0 HA LYS A 460 8.777 -3.715 -4.487 1.00 0.00 H new ATOM 0 HB2 LYS A 460 6.591 -4.527 -5.494 1.00 0.00 H new ATOM 0 HB3 LYS A 460 6.018 -2.872 -5.439 1.00 0.00 H new ATOM 0 HG2 LYS A 460 7.837 -2.156 -6.934 1.00 0.00 H new ATOM 0 HG3 LYS A 460 8.505 -3.777 -6.936 1.00 0.00 H new ATOM 0 HD2 LYS A 460 5.762 -2.977 -7.989 1.00 0.00 H new ATOM 0 HD3 LYS A 460 7.166 -3.357 -8.967 1.00 0.00 H new ATOM 0 HE2 LYS A 460 5.746 -5.277 -7.075 1.00 0.00 H new ATOM 0 HE3 LYS A 460 5.612 -5.278 -8.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 460 7.171 -6.931 -8.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 460 8.065 -5.657 -8.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 460 8.036 -5.870 -7.212 1.00 0.00 H new ATOM 561 N TRP A 461 9.334 -1.327 -4.413 1.00 0.00 N ATOM 562 CA TRP A 461 9.717 0.072 -4.357 1.00 0.00 C ATOM 563 C TRP A 461 9.978 0.589 -5.765 1.00 0.00 C ATOM 564 O TRP A 461 10.743 -0.011 -6.522 1.00 0.00 O ATOM 565 CB TRP A 461 10.972 0.247 -3.497 1.00 0.00 C ATOM 566 CG TRP A 461 11.260 1.672 -3.151 1.00 0.00 C ATOM 567 CD1 TRP A 461 12.171 2.494 -3.742 1.00 0.00 C ATOM 568 CD2 TRP A 461 10.647 2.437 -2.112 1.00 0.00 C ATOM 569 NE1 TRP A 461 12.149 3.729 -3.143 1.00 0.00 N ATOM 570 CE2 TRP A 461 11.223 3.717 -2.137 1.00 0.00 C ATOM 571 CE3 TRP A 461 9.663 2.165 -1.166 1.00 0.00 C ATOM 572 CZ2 TRP A 461 10.842 4.721 -1.248 1.00 0.00 C ATOM 573 CZ3 TRP A 461 9.287 3.159 -0.289 1.00 0.00 C ATOM 574 CH2 TRP A 461 9.872 4.422 -0.333 1.00 0.00 C ATOM 0 H TRP A 461 10.100 -1.965 -4.630 1.00 0.00 H new ATOM 0 HA TRP A 461 8.904 0.642 -3.908 1.00 0.00 H new ATOM 0 HB2 TRP A 461 10.856 -0.326 -2.577 1.00 0.00 H new ATOM 0 HB3 TRP A 461 11.828 -0.171 -4.027 1.00 0.00 H new ATOM 0 HD1 TRP A 461 12.816 2.215 -4.562 1.00 0.00 H new ATOM 0 HE1 TRP A 461 12.729 4.526 -3.406 1.00 0.00 H new ATOM 0 HE3 TRP A 461 9.201 1.190 -1.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 461 11.297 5.700 -1.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 461 8.524 2.955 0.447 1.00 0.00 H new ATOM 0 HH2 TRP A 461 9.553 5.179 0.369 1.00 0.00 H new ATOM 585 N GLU A 462 9.322 1.678 -6.128 1.00 0.00 N ATOM 586 CA GLU A 462 9.487 2.243 -7.459 1.00 0.00 C ATOM 587 C GLU A 462 10.616 3.267 -7.458 1.00 0.00 C ATOM 588 O GLU A 462 11.628 3.094 -8.135 1.00 0.00 O ATOM 589 CB GLU A 462 8.173 2.877 -7.911 1.00 0.00 C ATOM 590 CG GLU A 462 8.139 3.271 -9.377 1.00 0.00 C ATOM 591 CD GLU A 462 6.724 3.485 -9.870 1.00 0.00 C ATOM 592 OE1 GLU A 462 5.959 2.500 -9.939 1.00 0.00 O ATOM 593 OE2 GLU A 462 6.355 4.643 -10.149 1.00 0.00 O ATOM 0 H GLU A 462 8.674 2.186 -5.526 1.00 0.00 H new ATOM 0 HA GLU A 462 9.751 1.452 -8.160 1.00 0.00 H new ATOM 0 HB2 GLU A 462 7.360 2.177 -7.716 1.00 0.00 H new ATOM 0 HB3 GLU A 462 7.983 3.763 -7.305 1.00 0.00 H new ATOM 0 HG2 GLU A 462 8.716 4.184 -9.521 1.00 0.00 H new ATOM 0 HG3 GLU A 462 8.618 2.494 -9.973 1.00 0.00 H new ATOM 600 N GLY A 463 10.451 4.304 -6.652 1.00 0.00 N ATOM 601 CA GLY A 463 11.465 5.331 -6.528 1.00 0.00 C ATOM 602 C GLY A 463 11.002 6.441 -5.615 1.00 0.00 C ATOM 603 O GLY A 463 11.165 7.623 -5.917 1.00 0.00 O ATOM 0 H GLY A 463 9.623 4.454 -6.075 1.00 0.00 H new ATOM 0 HA2 GLY A 463 12.384 4.894 -6.138 1.00 0.00 H new ATOM 0 HA3 GLY A 463 11.698 5.738 -7.512 1.00 0.00 H new ATOM 607 N GLY A 464 10.348 6.051 -4.532 1.00 0.00 N ATOM 608 CA GLY A 464 9.776 7.007 -3.610 1.00 0.00 C ATOM 609 C GLY A 464 8.514 6.462 -2.982 1.00 0.00 C ATOM 610 O GLY A 464 8.290 6.599 -1.779 1.00 0.00 O ATOM 0 H GLY A 464 10.202 5.075 -4.274 1.00 0.00 H new ATOM 0 HA2 GLY A 464 10.501 7.246 -2.831 1.00 0.00 H new ATOM 0 HA3 GLY A 464 9.554 7.936 -4.135 1.00 0.00 H new ATOM 614 N THR A 465 7.703 5.818 -3.803 1.00 0.00 N ATOM 615 CA THR A 465 6.461 5.220 -3.351 1.00 0.00 C ATOM 616 C THR A 465 6.581 3.699 -3.250 1.00 0.00 C ATOM 617 O THR A 465 7.115 3.045 -4.154 1.00 0.00 O ATOM 618 CB THR A 465 5.319 5.579 -4.311 1.00 0.00 C ATOM 619 OG1 THR A 465 5.223 7.005 -4.443 1.00 0.00 O ATOM 620 CG2 THR A 465 3.989 5.010 -3.840 1.00 0.00 C ATOM 0 H THR A 465 7.887 5.696 -4.799 1.00 0.00 H new ATOM 0 HA THR A 465 6.244 5.617 -2.359 1.00 0.00 H new ATOM 0 HB THR A 465 5.545 5.136 -5.281 1.00 0.00 H new ATOM 0 HG1 THR A 465 4.494 7.228 -5.058 1.00 0.00 H new ATOM 0 HG21 THR A 465 3.205 5.285 -4.546 1.00 0.00 H new ATOM 0 HG22 THR A 465 4.059 3.924 -3.781 1.00 0.00 H new ATOM 0 HG23 THR A 465 3.749 5.413 -2.856 1.00 0.00 H new ATOM 628 N CYS A 466 6.098 3.148 -2.145 1.00 0.00 N ATOM 629 CA CYS A 466 6.117 1.710 -1.923 1.00 0.00 C ATOM 630 C CYS A 466 4.739 1.121 -2.206 1.00 0.00 C ATOM 631 O CYS A 466 3.719 1.776 -1.961 1.00 0.00 O ATOM 632 CB CYS A 466 6.523 1.402 -0.484 1.00 0.00 C ATOM 633 SG CYS A 466 7.389 -0.186 -0.285 1.00 0.00 S ATOM 0 H CYS A 466 5.684 3.683 -1.381 1.00 0.00 H new ATOM 0 HA CYS A 466 6.845 1.262 -2.599 1.00 0.00 H new ATOM 0 HB2 CYS A 466 7.166 2.203 -0.119 1.00 0.00 H new ATOM 0 HB3 CYS A 466 5.631 1.399 0.142 1.00 0.00 H new ATOM 638 N LYS A 467 4.700 -0.092 -2.741 1.00 0.00 N ATOM 639 CA LYS A 467 3.436 -0.737 -3.064 1.00 0.00 C ATOM 640 C LYS A 467 3.525 -2.250 -2.910 1.00 0.00 C ATOM 641 O LYS A 467 4.540 -2.863 -3.234 1.00 0.00 O ATOM 642 CB LYS A 467 2.968 -0.375 -4.481 1.00 0.00 C ATOM 643 CG LYS A 467 4.020 -0.535 -5.572 1.00 0.00 C ATOM 644 CD LYS A 467 4.895 0.705 -5.683 1.00 0.00 C ATOM 645 CE LYS A 467 5.864 0.613 -6.846 1.00 0.00 C ATOM 646 NZ LYS A 467 5.173 0.617 -8.163 1.00 0.00 N ATOM 0 H LYS A 467 5.527 -0.647 -2.960 1.00 0.00 H new ATOM 0 HA LYS A 467 2.698 -0.365 -2.353 1.00 0.00 H new ATOM 0 HB2 LYS A 467 2.109 -0.997 -4.733 1.00 0.00 H new ATOM 0 HB3 LYS A 467 2.623 0.659 -4.480 1.00 0.00 H new ATOM 0 HG2 LYS A 467 4.642 -1.403 -5.356 1.00 0.00 H new ATOM 0 HG3 LYS A 467 3.530 -0.724 -6.527 1.00 0.00 H new ATOM 0 HD2 LYS A 467 4.263 1.585 -5.806 1.00 0.00 H new ATOM 0 HD3 LYS A 467 5.453 0.840 -4.756 1.00 0.00 H new ATOM 0 HE2 LYS A 467 6.560 1.450 -6.802 1.00 0.00 H new ATOM 0 HE3 LYS A 467 6.455 -0.298 -6.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 467 5.028 -0.362 -8.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 467 4.252 1.091 -8.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 467 5.755 1.125 -8.859 1.00 0.00 H new ATOM 660 N ASP A 468 2.458 -2.826 -2.376 1.00 0.00 N ATOM 661 CA ASP A 468 2.366 -4.264 -2.161 1.00 0.00 C ATOM 662 C ASP A 468 2.271 -4.999 -3.495 1.00 0.00 C ATOM 663 O ASP A 468 1.709 -4.425 -4.454 1.00 0.00 O ATOM 664 CB ASP A 468 1.151 -4.566 -1.273 1.00 0.00 C ATOM 665 CG ASP A 468 0.872 -6.045 -1.089 1.00 0.00 C ATOM 666 OD1 ASP A 468 0.303 -6.669 -2.010 1.00 0.00 O ATOM 667 OD2 ASP A 468 1.200 -6.584 -0.008 1.00 0.00 O ATOM 668 OXT ASP A 468 2.791 -6.131 -3.593 1.00 0.00 O ATOM 0 H ASP A 468 1.630 -2.309 -2.079 1.00 0.00 H new ATOM 0 HA ASP A 468 3.266 -4.615 -1.656 1.00 0.00 H new ATOM 0 HB2 ASP A 468 1.308 -4.112 -0.294 1.00 0.00 H new ATOM 0 HB3 ASP A 468 0.270 -4.092 -1.707 1.00 0.00 H new TER 673 ASP A 468