USER MOD reduce.3.24.130724 H: found=0, std=0, add=329, rem=0, adj=17 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+ -108:sc= -1.12 (180deg=-3.57!) USER MOD Single : A 425 SER OG : rot 180:sc= 0.0243 USER MOD Single : A 426 LYS NZ :NH3+ 161:sc= -0.0441 (180deg=-0.343) USER MOD Single : A 427 SER OG : rot 180:sc= 0 USER MOD Single : A 432 THR OG1 : rot 180:sc= 0 USER MOD Single : A 433 GLN : amide:sc= -0.199 X(o=-0.2,f=-0.2) USER MOD Single : A 434 THR OG1 : rot 50:sc= 0.327 USER MOD Single : A 435 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 436 THR OG1 : rot 52:sc= 0.0764 USER MOD Single : A 441 THR OG1 : rot 180:sc= 0 USER MOD Single : A 442 THR OG1 : rot 180:sc= 0.552 USER MOD Single : A 445 LYS NZ :NH3+ 162:sc= -0.041 (180deg=-0.341) USER MOD Single : A 447 LYS NZ :NH3+ -149:sc= -2.17! (180deg=-4.03!) USER MOD Single : A 449 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 452 LYS NZ :NH3+ 180:sc= 1.29 (180deg=1.29) USER MOD Single : A 455 LYS NZ :NH3+ 171:sc= -0.0158 (180deg=-0.166) USER MOD Single : A 456 SER OG : rot 180:sc= 0.00329 USER MOD Single : A 460 LYS NZ :NH3+ -156:sc= 1.2 (180deg=0.895) USER MOD Single : A 465 THR OG1 : rot 180:sc= 0 USER MOD Single : A 467 LYS NZ :NH3+ -165:sc= -0.0345 (180deg=-0.271) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 421 -29.646 -35.829 -3.285 1.00 0.00 N ATOM 2 CA GLY A 421 -28.951 -34.520 -3.266 1.00 0.00 C ATOM 3 C GLY A 421 -28.834 -33.920 -4.649 1.00 0.00 C ATOM 4 O GLY A 421 -28.564 -34.629 -5.618 1.00 0.00 O ATOM 0 HA2 GLY A 421 -29.492 -33.832 -2.617 1.00 0.00 H new ATOM 0 HA3 GLY A 421 -27.956 -34.644 -2.839 1.00 0.00 H new ATOM 10 N THR A 422 -29.027 -32.614 -4.743 1.00 0.00 N ATOM 11 CA THR A 422 -28.939 -31.915 -6.013 1.00 0.00 C ATOM 12 C THR A 422 -28.592 -30.447 -5.778 1.00 0.00 C ATOM 13 O THR A 422 -29.063 -29.830 -4.817 1.00 0.00 O ATOM 14 CB THR A 422 -30.254 -32.032 -6.822 1.00 0.00 C ATOM 15 OG1 THR A 422 -30.130 -31.353 -8.081 1.00 0.00 O ATOM 16 CG2 THR A 422 -31.435 -31.463 -6.051 1.00 0.00 C ATOM 0 H THR A 422 -29.247 -32.014 -3.948 1.00 0.00 H new ATOM 0 HA THR A 422 -28.148 -32.384 -6.599 1.00 0.00 H new ATOM 0 HB THR A 422 -30.437 -33.092 -6.997 1.00 0.00 H new ATOM 0 HG1 THR A 422 -30.968 -31.437 -8.582 1.00 0.00 H new ATOM 0 HG21 THR A 422 -32.341 -31.562 -6.649 1.00 0.00 H new ATOM 0 HG22 THR A 422 -31.556 -32.009 -5.116 1.00 0.00 H new ATOM 0 HG23 THR A 422 -31.255 -30.410 -5.836 1.00 0.00 H new ATOM 24 N LYS A 423 -27.684 -29.925 -6.589 1.00 0.00 N ATOM 25 CA LYS A 423 -27.217 -28.555 -6.432 1.00 0.00 C ATOM 26 C LYS A 423 -28.286 -27.568 -6.885 1.00 0.00 C ATOM 27 O LYS A 423 -28.817 -27.679 -7.992 1.00 0.00 O ATOM 28 CB LYS A 423 -25.932 -28.337 -7.232 1.00 0.00 C ATOM 29 CG LYS A 423 -25.327 -26.950 -7.062 1.00 0.00 C ATOM 30 CD LYS A 423 -24.097 -26.741 -7.941 1.00 0.00 C ATOM 31 CE LYS A 423 -22.891 -27.545 -7.463 1.00 0.00 C ATOM 32 NZ LYS A 423 -22.985 -28.983 -7.835 1.00 0.00 N ATOM 0 H LYS A 423 -27.255 -30.430 -7.364 1.00 0.00 H new ATOM 0 HA LYS A 423 -27.010 -28.383 -5.376 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -25.197 -29.083 -6.930 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -26.141 -28.505 -8.289 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -26.077 -26.197 -7.306 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -25.053 -26.801 -6.017 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -24.335 -27.025 -8.966 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -23.841 -25.682 -7.955 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -21.982 -27.121 -7.890 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -22.805 -27.457 -6.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -23.178 -29.550 -6.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -23.756 -29.114 -8.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -22.087 -29.291 -8.260 1.00 0.00 H new ATOM 46 N ALA A 424 -28.558 -26.579 -6.046 1.00 0.00 N ATOM 47 CA ALA A 424 -29.492 -25.518 -6.387 1.00 0.00 C ATOM 48 C ALA A 424 -28.788 -24.442 -7.206 1.00 0.00 C ATOM 49 O ALA A 424 -27.556 -24.375 -7.223 1.00 0.00 O ATOM 50 CB ALA A 424 -30.107 -24.924 -5.129 1.00 0.00 C ATOM 0 H ALA A 424 -28.142 -26.490 -5.119 1.00 0.00 H new ATOM 0 HA ALA A 424 -30.296 -25.939 -6.990 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -30.803 -24.132 -5.404 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -30.640 -25.702 -4.582 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -29.319 -24.512 -4.498 1.00 0.00 H new ATOM 56 N SER A 425 -29.564 -23.621 -7.899 1.00 0.00 N ATOM 57 CA SER A 425 -29.018 -22.573 -8.761 1.00 0.00 C ATOM 58 C SER A 425 -28.472 -21.384 -7.959 1.00 0.00 C ATOM 59 O SER A 425 -28.523 -20.243 -8.421 1.00 0.00 O ATOM 60 CB SER A 425 -30.099 -22.106 -9.738 1.00 0.00 C ATOM 61 OG SER A 425 -31.339 -21.911 -9.071 1.00 0.00 O ATOM 0 H SER A 425 -30.583 -23.659 -7.883 1.00 0.00 H new ATOM 0 HA SER A 425 -28.177 -22.995 -9.311 1.00 0.00 H new ATOM 0 HB2 SER A 425 -29.787 -21.176 -10.213 1.00 0.00 H new ATOM 0 HB3 SER A 425 -30.221 -22.844 -10.531 1.00 0.00 H new ATOM 0 HG SER A 425 -32.014 -21.611 -9.716 1.00 0.00 H new ATOM 67 N LYS A 426 -27.869 -21.674 -6.808 1.00 0.00 N ATOM 68 CA LYS A 426 -27.236 -20.657 -5.977 1.00 0.00 C ATOM 69 C LYS A 426 -26.668 -21.300 -4.721 1.00 0.00 C ATOM 70 O LYS A 426 -25.534 -21.027 -4.326 1.00 0.00 O ATOM 71 CB LYS A 426 -28.234 -19.559 -5.578 1.00 0.00 C ATOM 72 CG LYS A 426 -27.575 -18.348 -4.932 1.00 0.00 C ATOM 73 CD LYS A 426 -28.597 -17.329 -4.454 1.00 0.00 C ATOM 74 CE LYS A 426 -29.341 -17.820 -3.222 1.00 0.00 C ATOM 75 NZ LYS A 426 -28.438 -17.980 -2.050 1.00 0.00 N ATOM 0 H LYS A 426 -27.806 -22.618 -6.428 1.00 0.00 H new ATOM 0 HA LYS A 426 -26.435 -20.200 -6.558 1.00 0.00 H new ATOM 0 HB2 LYS A 426 -28.781 -19.236 -6.464 1.00 0.00 H new ATOM 0 HB3 LYS A 426 -28.966 -19.977 -4.887 1.00 0.00 H new ATOM 0 HG2 LYS A 426 -26.966 -18.674 -4.088 1.00 0.00 H new ATOM 0 HG3 LYS A 426 -26.901 -17.877 -5.648 1.00 0.00 H new ATOM 0 HD2 LYS A 426 -28.095 -16.389 -4.226 1.00 0.00 H new ATOM 0 HD3 LYS A 426 -29.310 -17.125 -5.253 1.00 0.00 H new ATOM 0 HE2 LYS A 426 -30.135 -17.116 -2.974 1.00 0.00 H new ATOM 0 HE3 LYS A 426 -29.819 -18.774 -3.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 426 -29.002 -17.998 -1.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 426 -27.909 -18.871 -2.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 426 -27.771 -17.183 -2.015 1.00 0.00 H new ATOM 89 N SER A 427 -27.491 -22.122 -4.079 1.00 0.00 N ATOM 90 CA SER A 427 -27.115 -22.773 -2.833 1.00 0.00 C ATOM 91 C SER A 427 -25.877 -23.647 -3.015 1.00 0.00 C ATOM 92 O SER A 427 -25.685 -24.274 -4.061 1.00 0.00 O ATOM 93 CB SER A 427 -28.287 -23.600 -2.311 1.00 0.00 C ATOM 94 OG SER A 427 -29.452 -22.795 -2.198 1.00 0.00 O ATOM 0 H SER A 427 -28.429 -22.353 -4.405 1.00 0.00 H new ATOM 0 HA SER A 427 -26.867 -22.003 -2.102 1.00 0.00 H new ATOM 0 HB2 SER A 427 -28.479 -24.435 -2.984 1.00 0.00 H new ATOM 0 HB3 SER A 427 -28.036 -24.025 -1.339 1.00 0.00 H new ATOM 0 HG SER A 427 -30.195 -23.340 -1.864 1.00 0.00 H new ATOM 100 N GLY A 428 -24.989 -23.584 -2.040 1.00 0.00 N ATOM 101 CA GLY A 428 -23.716 -24.260 -2.134 1.00 0.00 C ATOM 102 C GLY A 428 -22.586 -23.287 -1.897 1.00 0.00 C ATOM 103 O GLY A 428 -21.823 -23.435 -0.943 1.00 0.00 O ATOM 0 H GLY A 428 -25.131 -23.068 -1.172 1.00 0.00 H new ATOM 0 HA2 GLY A 428 -23.670 -25.066 -1.402 1.00 0.00 H new ATOM 0 HA3 GLY A 428 -23.611 -24.717 -3.118 1.00 0.00 H new ATOM 107 N VAL A 429 -22.605 -22.203 -2.669 1.00 0.00 N ATOM 108 CA VAL A 429 -21.686 -21.079 -2.495 1.00 0.00 C ATOM 109 C VAL A 429 -20.223 -21.514 -2.558 1.00 0.00 C ATOM 110 O VAL A 429 -19.645 -21.961 -1.562 1.00 0.00 O ATOM 111 CB VAL A 429 -21.937 -20.337 -1.161 1.00 0.00 C ATOM 112 CG1 VAL A 429 -21.068 -19.090 -1.063 1.00 0.00 C ATOM 113 CG2 VAL A 429 -23.408 -19.978 -1.009 1.00 0.00 C ATOM 0 H VAL A 429 -23.263 -22.078 -3.438 1.00 0.00 H new ATOM 0 HA VAL A 429 -21.883 -20.401 -3.325 1.00 0.00 H new ATOM 0 HB VAL A 429 -21.664 -21.008 -0.346 1.00 0.00 H new ATOM 0 HG11 VAL A 429 -21.262 -18.585 -0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 429 -20.017 -19.374 -1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 429 -21.302 -18.417 -1.888 1.00 0.00 H new ATOM 0 HG21 VAL A 429 -23.560 -19.457 -0.064 1.00 0.00 H new ATOM 0 HG22 VAL A 429 -23.712 -19.331 -1.832 1.00 0.00 H new ATOM 0 HG23 VAL A 429 -24.008 -20.888 -1.022 1.00 0.00 H new ATOM 123 N PRO A 430 -19.577 -21.324 -3.713 1.00 0.00 N ATOM 124 CA PRO A 430 -18.153 -21.590 -3.862 1.00 0.00 C ATOM 125 C PRO A 430 -17.347 -20.582 -3.057 1.00 0.00 C ATOM 126 O PRO A 430 -17.547 -19.372 -3.192 1.00 0.00 O ATOM 127 CB PRO A 430 -17.892 -21.417 -5.367 1.00 0.00 C ATOM 128 CG PRO A 430 -19.239 -21.273 -5.998 1.00 0.00 C ATOM 129 CD PRO A 430 -20.146 -20.738 -4.931 1.00 0.00 C ATOM 0 HA PRO A 430 -17.866 -22.578 -3.503 1.00 0.00 H new ATOM 0 HB2 PRO A 430 -17.274 -20.540 -5.559 1.00 0.00 H new ATOM 0 HB3 PRO A 430 -17.359 -22.277 -5.773 1.00 0.00 H new ATOM 0 HG2 PRO A 430 -19.199 -20.595 -6.851 1.00 0.00 H new ATOM 0 HG3 PRO A 430 -19.599 -22.232 -6.370 1.00 0.00 H new ATOM 0 HD2 PRO A 430 -20.138 -19.648 -4.900 1.00 0.00 H new ATOM 0 HD3 PRO A 430 -21.180 -21.045 -5.085 1.00 0.00 H new ATOM 137 N VAL A 431 -16.524 -21.071 -2.144 1.00 0.00 N ATOM 138 CA VAL A 431 -15.772 -20.189 -1.267 1.00 0.00 C ATOM 139 C VAL A 431 -14.668 -19.494 -2.047 1.00 0.00 C ATOM 140 O VAL A 431 -13.751 -20.136 -2.555 1.00 0.00 O ATOM 141 CB VAL A 431 -15.161 -20.946 -0.068 1.00 0.00 C ATOM 142 CG1 VAL A 431 -14.555 -19.969 0.929 1.00 0.00 C ATOM 143 CG2 VAL A 431 -16.212 -21.815 0.604 1.00 0.00 C ATOM 0 H VAL A 431 -16.360 -22.066 -1.991 1.00 0.00 H new ATOM 0 HA VAL A 431 -16.470 -19.450 -0.874 1.00 0.00 H new ATOM 0 HB VAL A 431 -14.366 -21.593 -0.438 1.00 0.00 H new ATOM 0 HG11 VAL A 431 -14.129 -20.521 1.767 1.00 0.00 H new ATOM 0 HG12 VAL A 431 -13.771 -19.390 0.441 1.00 0.00 H new ATOM 0 HG13 VAL A 431 -15.330 -19.295 1.295 1.00 0.00 H new ATOM 0 HG21 VAL A 431 -15.764 -22.341 1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 431 -17.029 -21.188 0.961 1.00 0.00 H new ATOM 0 HG23 VAL A 431 -16.597 -22.540 -0.113 1.00 0.00 H new ATOM 153 N THR A 432 -14.821 -18.195 -2.225 1.00 0.00 N ATOM 154 CA THR A 432 -13.897 -17.418 -3.025 1.00 0.00 C ATOM 155 C THR A 432 -12.701 -16.958 -2.195 1.00 0.00 C ATOM 156 O THR A 432 -11.555 -17.063 -2.632 1.00 0.00 O ATOM 157 CB THR A 432 -14.615 -16.202 -3.644 1.00 0.00 C ATOM 158 OG1 THR A 432 -15.797 -16.649 -4.325 1.00 0.00 O ATOM 159 CG2 THR A 432 -13.712 -15.465 -4.624 1.00 0.00 C ATOM 0 H THR A 432 -15.585 -17.653 -1.821 1.00 0.00 H new ATOM 0 HA THR A 432 -13.527 -18.057 -3.827 1.00 0.00 H new ATOM 0 HB THR A 432 -14.878 -15.512 -2.842 1.00 0.00 H new ATOM 0 HG1 THR A 432 -16.258 -15.879 -4.719 1.00 0.00 H new ATOM 0 HG21 THR A 432 -14.248 -14.613 -5.043 1.00 0.00 H new ATOM 0 HG22 THR A 432 -12.821 -15.113 -4.104 1.00 0.00 H new ATOM 0 HG23 THR A 432 -13.420 -16.140 -5.428 1.00 0.00 H new ATOM 167 N GLN A 433 -12.974 -16.451 -0.998 1.00 0.00 N ATOM 168 CA GLN A 433 -11.924 -15.943 -0.123 1.00 0.00 C ATOM 169 C GLN A 433 -11.038 -17.062 0.410 1.00 0.00 C ATOM 170 O GLN A 433 -9.813 -16.978 0.318 1.00 0.00 O ATOM 171 CB GLN A 433 -12.526 -15.165 1.048 1.00 0.00 C ATOM 172 CG GLN A 433 -13.171 -13.850 0.640 1.00 0.00 C ATOM 173 CD GLN A 433 -12.210 -12.943 -0.101 1.00 0.00 C ATOM 174 OE1 GLN A 433 -11.141 -12.597 0.406 1.00 0.00 O ATOM 175 NE2 GLN A 433 -12.587 -12.544 -1.304 1.00 0.00 N ATOM 0 H GLN A 433 -13.915 -16.381 -0.611 1.00 0.00 H new ATOM 0 HA GLN A 433 -11.305 -15.275 -0.722 1.00 0.00 H new ATOM 0 HB2 GLN A 433 -13.272 -15.788 1.541 1.00 0.00 H new ATOM 0 HB3 GLN A 433 -11.744 -14.964 1.780 1.00 0.00 H new ATOM 0 HG2 GLN A 433 -14.036 -14.053 0.008 1.00 0.00 H new ATOM 0 HG3 GLN A 433 -13.539 -13.337 1.529 1.00 0.00 H new ATOM 0 HE21 GLN A 433 -13.480 -12.854 -1.687 1.00 0.00 H new ATOM 0 HE22 GLN A 433 -11.985 -11.927 -1.849 1.00 0.00 H new ATOM 184 N THR A 434 -11.658 -18.086 1.001 1.00 0.00 N ATOM 185 CA THR A 434 -10.926 -19.188 1.641 1.00 0.00 C ATOM 186 C THR A 434 -9.866 -18.646 2.598 1.00 0.00 C ATOM 187 O THR A 434 -8.661 -18.773 2.354 1.00 0.00 O ATOM 188 CB THR A 434 -10.284 -20.167 0.622 1.00 0.00 C ATOM 189 OG1 THR A 434 -9.770 -19.468 -0.521 1.00 0.00 O ATOM 190 CG2 THR A 434 -11.290 -21.213 0.167 1.00 0.00 C ATOM 0 H THR A 434 -12.673 -18.177 1.051 1.00 0.00 H new ATOM 0 HA THR A 434 -11.663 -19.761 2.204 1.00 0.00 H new ATOM 0 HB THR A 434 -9.457 -20.663 1.129 1.00 0.00 H new ATOM 0 HG1 THR A 434 -9.204 -18.725 -0.223 1.00 0.00 H new ATOM 0 HG21 THR A 434 -10.816 -21.887 -0.547 1.00 0.00 H new ATOM 0 HG22 THR A 434 -11.638 -21.783 1.029 1.00 0.00 H new ATOM 0 HG23 THR A 434 -12.138 -20.720 -0.308 1.00 0.00 H new ATOM 198 N GLN A 435 -10.337 -17.939 3.624 1.00 0.00 N ATOM 199 CA GLN A 435 -9.467 -17.264 4.582 1.00 0.00 C ATOM 200 C GLN A 435 -8.661 -16.169 3.886 1.00 0.00 C ATOM 201 O GLN A 435 -9.226 -15.357 3.151 1.00 0.00 O ATOM 202 CB GLN A 435 -8.546 -18.267 5.282 1.00 0.00 C ATOM 203 CG GLN A 435 -9.297 -19.292 6.113 1.00 0.00 C ATOM 204 CD GLN A 435 -8.380 -20.264 6.825 1.00 0.00 C ATOM 205 OE1 GLN A 435 -7.505 -19.862 7.589 1.00 0.00 O ATOM 206 NE2 GLN A 435 -8.586 -21.549 6.596 1.00 0.00 N ATOM 0 H GLN A 435 -11.332 -17.819 3.813 1.00 0.00 H new ATOM 0 HA GLN A 435 -10.089 -16.797 5.346 1.00 0.00 H new ATOM 0 HB2 GLN A 435 -7.948 -18.785 4.532 1.00 0.00 H new ATOM 0 HB3 GLN A 435 -7.852 -17.726 5.925 1.00 0.00 H new ATOM 0 HG2 GLN A 435 -9.911 -18.774 6.850 1.00 0.00 H new ATOM 0 HG3 GLN A 435 -9.976 -19.849 5.467 1.00 0.00 H new ATOM 0 HE21 GLN A 435 -9.323 -21.841 5.954 1.00 0.00 H new ATOM 0 HE22 GLN A 435 -8.008 -22.249 7.061 1.00 0.00 H new ATOM 215 N THR A 436 -7.355 -16.138 4.125 1.00 0.00 N ATOM 216 CA THR A 436 -6.483 -15.139 3.521 1.00 0.00 C ATOM 217 C THR A 436 -6.335 -15.370 2.017 1.00 0.00 C ATOM 218 O THR A 436 -5.533 -16.197 1.580 1.00 0.00 O ATOM 219 CB THR A 436 -5.092 -15.161 4.183 1.00 0.00 C ATOM 220 OG1 THR A 436 -4.683 -16.518 4.403 1.00 0.00 O ATOM 221 CG2 THR A 436 -5.105 -14.406 5.504 1.00 0.00 C ATOM 0 H THR A 436 -6.875 -16.798 4.737 1.00 0.00 H new ATOM 0 HA THR A 436 -6.943 -14.164 3.681 1.00 0.00 H new ATOM 0 HB THR A 436 -4.385 -14.669 3.515 1.00 0.00 H new ATOM 0 HG1 THR A 436 -4.765 -17.024 3.568 1.00 0.00 H new ATOM 0 HG21 THR A 436 -4.111 -14.437 5.950 1.00 0.00 H new ATOM 0 HG22 THR A 436 -5.392 -13.369 5.328 1.00 0.00 H new ATOM 0 HG23 THR A 436 -5.822 -14.870 6.181 1.00 0.00 H new ATOM 229 N ALA A 437 -7.153 -14.681 1.236 1.00 0.00 N ATOM 230 CA ALA A 437 -7.145 -14.836 -0.209 1.00 0.00 C ATOM 231 C ALA A 437 -5.921 -14.172 -0.823 1.00 0.00 C ATOM 232 O ALA A 437 -5.528 -13.076 -0.413 1.00 0.00 O ATOM 233 CB ALA A 437 -8.418 -14.258 -0.807 1.00 0.00 C ATOM 0 H ALA A 437 -7.834 -14.005 1.582 1.00 0.00 H new ATOM 0 HA ALA A 437 -7.101 -15.901 -0.437 1.00 0.00 H new ATOM 0 HB1 ALA A 437 -8.399 -14.380 -1.890 1.00 0.00 H new ATOM 0 HB2 ALA A 437 -9.282 -14.781 -0.397 1.00 0.00 H new ATOM 0 HB3 ALA A 437 -8.486 -13.198 -0.563 1.00 0.00 H new ATOM 239 N GLY A 438 -5.310 -14.850 -1.785 1.00 0.00 N ATOM 240 CA GLY A 438 -4.136 -14.320 -2.444 1.00 0.00 C ATOM 241 C GLY A 438 -2.973 -14.136 -1.494 1.00 0.00 C ATOM 242 O GLY A 438 -2.578 -15.070 -0.791 1.00 0.00 O ATOM 0 H GLY A 438 -5.611 -15.765 -2.122 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -3.840 -14.992 -3.249 1.00 0.00 H new ATOM 0 HA3 GLY A 438 -4.382 -13.362 -2.903 1.00 0.00 H new ATOM 246 N ALA A 439 -2.468 -12.917 -1.434 1.00 0.00 N ATOM 247 CA ALA A 439 -1.374 -12.576 -0.544 1.00 0.00 C ATOM 248 C ALA A 439 -1.386 -11.077 -0.254 1.00 0.00 C ATOM 249 O ALA A 439 -2.451 -10.518 0.006 1.00 0.00 O ATOM 250 CB ALA A 439 -0.052 -13.022 -1.147 1.00 0.00 C ATOM 0 H ALA A 439 -2.804 -12.138 -2.000 1.00 0.00 H new ATOM 0 HA ALA A 439 -1.499 -13.100 0.404 1.00 0.00 H new ATOM 0 HB1 ALA A 439 0.763 -12.761 -0.471 1.00 0.00 H new ATOM 0 HB2 ALA A 439 -0.067 -14.101 -1.298 1.00 0.00 H new ATOM 0 HB3 ALA A 439 0.098 -12.524 -2.105 1.00 0.00 H new ATOM 256 N ASP A 440 -0.200 -10.453 -0.282 1.00 0.00 N ATOM 257 CA ASP A 440 -0.019 -9.013 -0.024 1.00 0.00 C ATOM 258 C ASP A 440 -0.826 -8.518 1.174 1.00 0.00 C ATOM 259 O ASP A 440 -1.209 -7.350 1.237 1.00 0.00 O ATOM 260 CB ASP A 440 -0.321 -8.166 -1.278 1.00 0.00 C ATOM 261 CG ASP A 440 -1.747 -8.283 -1.798 1.00 0.00 C ATOM 262 OD1 ASP A 440 -2.686 -7.800 -1.128 1.00 0.00 O ATOM 263 OD2 ASP A 440 -1.933 -8.843 -2.904 1.00 0.00 O ATOM 0 H ASP A 440 0.673 -10.938 -0.487 1.00 0.00 H new ATOM 0 HA ASP A 440 1.034 -8.884 0.228 1.00 0.00 H new ATOM 0 HB2 ASP A 440 -0.117 -7.120 -1.051 1.00 0.00 H new ATOM 0 HB3 ASP A 440 0.366 -8.460 -2.072 1.00 0.00 H new ATOM 268 N THR A 441 -0.960 -9.363 2.184 1.00 0.00 N ATOM 269 CA THR A 441 -1.624 -8.960 3.406 1.00 0.00 C ATOM 270 C THR A 441 -0.608 -8.389 4.392 1.00 0.00 C ATOM 271 O THR A 441 0.474 -8.951 4.589 1.00 0.00 O ATOM 272 CB THR A 441 -2.418 -10.130 4.041 1.00 0.00 C ATOM 273 OG1 THR A 441 -3.208 -9.657 5.142 1.00 0.00 O ATOM 274 CG2 THR A 441 -1.498 -11.248 4.515 1.00 0.00 C ATOM 0 H THR A 441 -0.619 -10.324 2.179 1.00 0.00 H new ATOM 0 HA THR A 441 -2.346 -8.182 3.156 1.00 0.00 H new ATOM 0 HB THR A 441 -3.072 -10.535 3.268 1.00 0.00 H new ATOM 0 HG1 THR A 441 -3.706 -10.405 5.533 1.00 0.00 H new ATOM 0 HG21 THR A 441 -2.094 -12.048 4.954 1.00 0.00 H new ATOM 0 HG22 THR A 441 -0.933 -11.638 3.668 1.00 0.00 H new ATOM 0 HG23 THR A 441 -0.807 -10.858 5.263 1.00 0.00 H new ATOM 282 N THR A 442 -0.912 -7.211 4.914 1.00 0.00 N ATOM 283 CA THR A 442 -0.013 -6.510 5.811 1.00 0.00 C ATOM 284 C THR A 442 -0.746 -5.316 6.430 1.00 0.00 C ATOM 285 O THR A 442 -1.970 -5.359 6.570 1.00 0.00 O ATOM 286 CB THR A 442 1.276 -6.065 5.065 1.00 0.00 C ATOM 287 OG1 THR A 442 2.183 -5.402 5.957 1.00 0.00 O ATOM 288 CG2 THR A 442 0.955 -5.156 3.882 1.00 0.00 C ATOM 0 H THR A 442 -1.785 -6.718 4.728 1.00 0.00 H new ATOM 0 HA THR A 442 0.297 -7.182 6.611 1.00 0.00 H new ATOM 0 HB THR A 442 1.753 -6.968 4.683 1.00 0.00 H new ATOM 0 HG1 THR A 442 2.987 -5.133 5.466 1.00 0.00 H new ATOM 0 HG21 THR A 442 1.880 -4.865 3.385 1.00 0.00 H new ATOM 0 HG22 THR A 442 0.316 -5.688 3.177 1.00 0.00 H new ATOM 0 HG23 THR A 442 0.439 -4.264 4.238 1.00 0.00 H new ATOM 296 N ALA A 443 -0.021 -4.266 6.794 1.00 0.00 N ATOM 297 CA ALA A 443 -0.632 -3.092 7.398 1.00 0.00 C ATOM 298 C ALA A 443 -1.517 -2.370 6.393 1.00 0.00 C ATOM 299 O ALA A 443 -2.708 -2.165 6.635 1.00 0.00 O ATOM 300 CB ALA A 443 0.434 -2.154 7.945 1.00 0.00 C ATOM 0 H ALA A 443 0.991 -4.205 6.681 1.00 0.00 H new ATOM 0 HA ALA A 443 -1.257 -3.421 8.228 1.00 0.00 H new ATOM 0 HB1 ALA A 443 -0.043 -1.282 8.392 1.00 0.00 H new ATOM 0 HB2 ALA A 443 1.023 -2.674 8.701 1.00 0.00 H new ATOM 0 HB3 ALA A 443 1.087 -1.833 7.134 1.00 0.00 H new ATOM 306 N GLU A 444 -0.944 -2.038 5.239 1.00 0.00 N ATOM 307 CA GLU A 444 -1.694 -1.372 4.180 1.00 0.00 C ATOM 308 C GLU A 444 -0.923 -1.353 2.859 1.00 0.00 C ATOM 309 O GLU A 444 -0.823 -0.320 2.197 1.00 0.00 O ATOM 310 CB GLU A 444 -2.084 0.047 4.604 1.00 0.00 C ATOM 311 CG GLU A 444 -0.927 0.909 5.075 1.00 0.00 C ATOM 312 CD GLU A 444 -1.399 2.196 5.718 1.00 0.00 C ATOM 313 OE1 GLU A 444 -2.066 2.127 6.771 1.00 0.00 O ATOM 314 OE2 GLU A 444 -1.130 3.279 5.166 1.00 0.00 O ATOM 0 H GLU A 444 0.034 -2.219 5.015 1.00 0.00 H new ATOM 0 HA GLU A 444 -2.605 -1.947 4.014 1.00 0.00 H new ATOM 0 HB2 GLU A 444 -2.569 0.542 3.763 1.00 0.00 H new ATOM 0 HB3 GLU A 444 -2.821 -0.017 5.405 1.00 0.00 H new ATOM 0 HG2 GLU A 444 -0.325 0.347 5.789 1.00 0.00 H new ATOM 0 HG3 GLU A 444 -0.282 1.143 4.228 1.00 0.00 H new ATOM 321 N LYS A 445 -0.383 -2.515 2.484 1.00 0.00 N ATOM 322 CA LYS A 445 0.344 -2.689 1.230 1.00 0.00 C ATOM 323 C LYS A 445 1.626 -1.887 1.241 1.00 0.00 C ATOM 324 O LYS A 445 2.112 -1.449 0.196 1.00 0.00 O ATOM 325 CB LYS A 445 -0.525 -2.318 0.025 1.00 0.00 C ATOM 326 CG LYS A 445 -1.139 -3.521 -0.676 1.00 0.00 C ATOM 327 CD LYS A 445 -2.064 -4.306 0.238 1.00 0.00 C ATOM 328 CE LYS A 445 -3.366 -3.565 0.494 1.00 0.00 C ATOM 329 NZ LYS A 445 -4.179 -3.423 -0.745 1.00 0.00 N ATOM 0 H LYS A 445 -0.440 -3.364 3.046 1.00 0.00 H new ATOM 0 HA LYS A 445 0.602 -3.744 1.136 1.00 0.00 H new ATOM 0 HB2 LYS A 445 -1.324 -1.653 0.354 1.00 0.00 H new ATOM 0 HB3 LYS A 445 0.079 -1.760 -0.690 1.00 0.00 H new ATOM 0 HG2 LYS A 445 -1.695 -3.185 -1.551 1.00 0.00 H new ATOM 0 HG3 LYS A 445 -0.344 -4.175 -1.035 1.00 0.00 H new ATOM 0 HD2 LYS A 445 -2.280 -5.276 -0.209 1.00 0.00 H new ATOM 0 HD3 LYS A 445 -1.562 -4.497 1.186 1.00 0.00 H new ATOM 0 HE2 LYS A 445 -3.945 -4.098 1.248 1.00 0.00 H new ATOM 0 HE3 LYS A 445 -3.147 -2.577 0.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 445 -5.162 -3.199 -0.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 445 -3.789 -2.657 -1.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 445 -4.155 -4.314 -1.280 1.00 0.00 H new ATOM 343 N CYS A 446 2.172 -1.732 2.444 1.00 0.00 N ATOM 344 CA CYS A 446 3.448 -1.074 2.663 1.00 0.00 C ATOM 345 C CYS A 446 3.394 0.382 2.253 1.00 0.00 C ATOM 346 O CYS A 446 4.410 1.013 1.974 1.00 0.00 O ATOM 347 CB CYS A 446 4.526 -1.793 1.882 1.00 0.00 C ATOM 348 SG CYS A 446 4.734 -3.542 2.335 1.00 0.00 S ATOM 0 H CYS A 446 1.732 -2.065 3.302 1.00 0.00 H new ATOM 0 HA CYS A 446 3.677 -1.112 3.728 1.00 0.00 H new ATOM 0 HB2 CYS A 446 4.292 -1.730 0.819 1.00 0.00 H new ATOM 0 HB3 CYS A 446 5.474 -1.275 2.031 1.00 0.00 H new ATOM 353 N LYS A 447 2.191 0.893 2.201 1.00 0.00 N ATOM 354 CA LYS A 447 1.957 2.248 1.772 1.00 0.00 C ATOM 355 C LYS A 447 2.272 3.231 2.890 1.00 0.00 C ATOM 356 O LYS A 447 1.906 3.013 4.048 1.00 0.00 O ATOM 357 CB LYS A 447 0.507 2.390 1.324 1.00 0.00 C ATOM 358 CG LYS A 447 0.281 3.499 0.319 1.00 0.00 C ATOM 359 CD LYS A 447 0.953 3.217 -1.026 1.00 0.00 C ATOM 360 CE LYS A 447 0.177 2.203 -1.866 1.00 0.00 C ATOM 361 NZ LYS A 447 0.171 0.840 -1.266 1.00 0.00 N ATOM 0 H LYS A 447 1.346 0.382 2.455 1.00 0.00 H new ATOM 0 HA LYS A 447 2.616 2.476 0.935 1.00 0.00 H new ATOM 0 HB2 LYS A 447 0.177 1.446 0.889 1.00 0.00 H new ATOM 0 HB3 LYS A 447 -0.117 2.573 2.199 1.00 0.00 H new ATOM 0 HG2 LYS A 447 -0.790 3.633 0.165 1.00 0.00 H new ATOM 0 HG3 LYS A 447 0.665 4.435 0.724 1.00 0.00 H new ATOM 0 HD2 LYS A 447 1.048 4.149 -1.583 1.00 0.00 H new ATOM 0 HD3 LYS A 447 1.963 2.844 -0.853 1.00 0.00 H new ATOM 0 HE2 LYS A 447 -0.850 2.547 -1.985 1.00 0.00 H new ATOM 0 HE3 LYS A 447 0.614 2.154 -2.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 0.130 0.128 -2.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 1.038 0.703 -0.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 -0.659 0.736 -0.648 1.00 0.00 H new ATOM 375 N GLY A 448 2.979 4.292 2.540 1.00 0.00 N ATOM 376 CA GLY A 448 3.360 5.296 3.508 1.00 0.00 C ATOM 377 C GLY A 448 4.558 4.880 4.333 1.00 0.00 C ATOM 378 O GLY A 448 4.697 5.287 5.486 1.00 0.00 O ATOM 0 H GLY A 448 3.299 4.477 1.590 1.00 0.00 H new ATOM 0 HA2 GLY A 448 3.586 6.228 2.990 1.00 0.00 H new ATOM 0 HA3 GLY A 448 2.518 5.495 4.171 1.00 0.00 H new ATOM 382 N LYS A 449 5.462 4.123 3.726 1.00 0.00 N ATOM 383 CA LYS A 449 6.688 3.733 4.394 1.00 0.00 C ATOM 384 C LYS A 449 7.880 4.375 3.717 1.00 0.00 C ATOM 385 O LYS A 449 7.904 4.518 2.496 1.00 0.00 O ATOM 386 CB LYS A 449 6.838 2.217 4.408 1.00 0.00 C ATOM 387 CG LYS A 449 5.825 1.540 5.305 1.00 0.00 C ATOM 388 CD LYS A 449 6.026 0.040 5.367 1.00 0.00 C ATOM 389 CE LYS A 449 7.373 -0.324 5.960 1.00 0.00 C ATOM 390 NZ LYS A 449 7.506 -1.786 6.179 1.00 0.00 N ATOM 0 H LYS A 449 5.366 3.769 2.774 1.00 0.00 H new ATOM 0 HA LYS A 449 6.642 4.080 5.426 1.00 0.00 H new ATOM 0 HB2 LYS A 449 6.731 1.836 3.393 1.00 0.00 H new ATOM 0 HB3 LYS A 449 7.843 1.958 4.741 1.00 0.00 H new ATOM 0 HG2 LYS A 449 5.897 1.956 6.310 1.00 0.00 H new ATOM 0 HG3 LYS A 449 4.820 1.755 4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 449 5.233 -0.409 5.965 1.00 0.00 H new ATOM 0 HD3 LYS A 449 5.945 -0.379 4.364 1.00 0.00 H new ATOM 0 HE2 LYS A 449 8.166 0.017 5.295 1.00 0.00 H new ATOM 0 HE3 LYS A 449 7.505 0.198 6.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 449 8.441 -1.993 6.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 449 6.765 -2.108 6.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 449 7.406 -2.284 5.271 1.00 0.00 H new ATOM 404 N GLY A 450 8.855 4.760 4.520 1.00 0.00 N ATOM 405 CA GLY A 450 10.063 5.365 3.994 1.00 0.00 C ATOM 406 C GLY A 450 10.914 4.357 3.254 1.00 0.00 C ATOM 407 O GLY A 450 10.701 3.154 3.390 1.00 0.00 O ATOM 0 H GLY A 450 8.834 4.665 5.535 1.00 0.00 H new ATOM 0 HA2 GLY A 450 9.799 6.182 3.322 1.00 0.00 H new ATOM 0 HA3 GLY A 450 10.639 5.798 4.811 1.00 0.00 H new ATOM 411 N GLU A 451 11.858 4.841 2.456 1.00 0.00 N ATOM 412 CA GLU A 451 12.738 3.973 1.676 1.00 0.00 C ATOM 413 C GLU A 451 13.446 2.959 2.571 1.00 0.00 C ATOM 414 O GLU A 451 13.608 1.798 2.200 1.00 0.00 O ATOM 415 CB GLU A 451 13.772 4.815 0.925 1.00 0.00 C ATOM 416 CG GLU A 451 14.722 4.002 0.059 1.00 0.00 C ATOM 417 CD GLU A 451 15.969 4.772 -0.329 1.00 0.00 C ATOM 418 OE1 GLU A 451 16.229 5.839 0.265 1.00 0.00 O ATOM 419 OE2 GLU A 451 16.712 4.301 -1.215 1.00 0.00 O ATOM 0 H GLU A 451 12.036 5.837 2.330 1.00 0.00 H new ATOM 0 HA GLU A 451 12.126 3.426 0.959 1.00 0.00 H new ATOM 0 HB2 GLU A 451 13.250 5.536 0.296 1.00 0.00 H new ATOM 0 HB3 GLU A 451 14.355 5.386 1.648 1.00 0.00 H new ATOM 0 HG2 GLU A 451 15.011 3.098 0.595 1.00 0.00 H new ATOM 0 HG3 GLU A 451 14.201 3.684 -0.844 1.00 0.00 H new ATOM 426 N LYS A 452 13.877 3.407 3.742 1.00 0.00 N ATOM 427 CA LYS A 452 14.587 2.542 4.676 1.00 0.00 C ATOM 428 C LYS A 452 13.630 1.568 5.356 1.00 0.00 C ATOM 429 O LYS A 452 13.987 0.420 5.625 1.00 0.00 O ATOM 430 CB LYS A 452 15.342 3.371 5.723 1.00 0.00 C ATOM 431 CG LYS A 452 16.631 3.993 5.203 1.00 0.00 C ATOM 432 CD LYS A 452 16.367 5.063 4.153 1.00 0.00 C ATOM 433 CE LYS A 452 17.652 5.550 3.510 1.00 0.00 C ATOM 434 NZ LYS A 452 17.403 6.650 2.543 1.00 0.00 N ATOM 0 H LYS A 452 13.748 4.365 4.069 1.00 0.00 H new ATOM 0 HA LYS A 452 15.314 1.963 4.106 1.00 0.00 H new ATOM 0 HB2 LYS A 452 14.688 4.164 6.086 1.00 0.00 H new ATOM 0 HB3 LYS A 452 15.575 2.735 6.577 1.00 0.00 H new ATOM 0 HG2 LYS A 452 17.183 4.430 6.035 1.00 0.00 H new ATOM 0 HG3 LYS A 452 17.262 3.214 4.776 1.00 0.00 H new ATOM 0 HD2 LYS A 452 15.705 4.663 3.385 1.00 0.00 H new ATOM 0 HD3 LYS A 452 15.849 5.904 4.614 1.00 0.00 H new ATOM 0 HE2 LYS A 452 18.338 5.895 4.284 1.00 0.00 H new ATOM 0 HE3 LYS A 452 18.140 4.720 2.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 452 18.305 6.955 2.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 452 16.769 6.314 1.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 452 16.961 7.452 3.036 1.00 0.00 H new ATOM 448 N ASP A 453 12.409 2.021 5.609 1.00 0.00 N ATOM 449 CA ASP A 453 11.386 1.174 6.213 1.00 0.00 C ATOM 450 C ASP A 453 10.910 0.132 5.207 1.00 0.00 C ATOM 451 O ASP A 453 10.802 -1.054 5.526 1.00 0.00 O ATOM 452 CB ASP A 453 10.199 2.013 6.690 1.00 0.00 C ATOM 453 CG ASP A 453 10.594 3.027 7.744 1.00 0.00 C ATOM 454 OD1 ASP A 453 11.029 2.620 8.841 1.00 0.00 O ATOM 455 OD2 ASP A 453 10.478 4.238 7.476 1.00 0.00 O ATOM 0 H ASP A 453 12.101 2.972 5.405 1.00 0.00 H new ATOM 0 HA ASP A 453 11.824 0.670 7.075 1.00 0.00 H new ATOM 0 HB2 ASP A 453 9.759 2.531 5.838 1.00 0.00 H new ATOM 0 HB3 ASP A 453 9.431 1.354 7.094 1.00 0.00 H new ATOM 460 N CYS A 454 10.657 0.590 3.985 1.00 0.00 N ATOM 461 CA CYS A 454 10.259 -0.279 2.883 1.00 0.00 C ATOM 462 C CYS A 454 11.352 -1.315 2.606 1.00 0.00 C ATOM 463 O CYS A 454 12.529 -0.969 2.490 1.00 0.00 O ATOM 464 CB CYS A 454 10.022 0.551 1.618 1.00 0.00 C ATOM 465 SG CYS A 454 9.412 -0.410 0.191 1.00 0.00 S ATOM 0 H CYS A 454 10.722 1.576 3.731 1.00 0.00 H new ATOM 0 HA CYS A 454 9.337 -0.790 3.162 1.00 0.00 H new ATOM 0 HB2 CYS A 454 9.304 1.339 1.844 1.00 0.00 H new ATOM 0 HB3 CYS A 454 10.955 1.041 1.339 1.00 0.00 H new ATOM 470 N LYS A 455 10.965 -2.574 2.462 1.00 0.00 N ATOM 471 CA LYS A 455 11.915 -3.637 2.156 1.00 0.00 C ATOM 472 C LYS A 455 11.432 -4.439 0.959 1.00 0.00 C ATOM 473 O LYS A 455 10.248 -4.725 0.855 1.00 0.00 O ATOM 474 CB LYS A 455 12.108 -4.551 3.366 1.00 0.00 C ATOM 475 CG LYS A 455 12.827 -3.871 4.519 1.00 0.00 C ATOM 476 CD LYS A 455 14.246 -3.484 4.133 1.00 0.00 C ATOM 477 CE LYS A 455 14.899 -2.622 5.200 1.00 0.00 C ATOM 478 NZ LYS A 455 14.845 -3.255 6.544 1.00 0.00 N ATOM 0 H LYS A 455 9.998 -2.886 2.552 1.00 0.00 H new ATOM 0 HA LYS A 455 12.876 -3.185 1.912 1.00 0.00 H new ATOM 0 HB2 LYS A 455 11.134 -4.900 3.709 1.00 0.00 H new ATOM 0 HB3 LYS A 455 12.674 -5.432 3.062 1.00 0.00 H new ATOM 0 HG2 LYS A 455 12.274 -2.981 4.821 1.00 0.00 H new ATOM 0 HG3 LYS A 455 12.851 -4.539 5.380 1.00 0.00 H new ATOM 0 HD2 LYS A 455 14.840 -4.385 3.978 1.00 0.00 H new ATOM 0 HD3 LYS A 455 14.232 -2.944 3.186 1.00 0.00 H new ATOM 0 HE2 LYS A 455 15.938 -2.437 4.929 1.00 0.00 H new ATOM 0 HE3 LYS A 455 14.401 -1.653 5.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 15.431 -2.710 7.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 13.861 -3.270 6.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 15.205 -4.229 6.484 1.00 0.00 H new ATOM 492 N SER A 456 12.340 -4.710 0.028 1.00 0.00 N ATOM 493 CA SER A 456 12.005 -5.357 -1.244 1.00 0.00 C ATOM 494 C SER A 456 11.257 -6.688 -1.077 1.00 0.00 C ATOM 495 O SER A 456 10.215 -6.882 -1.709 1.00 0.00 O ATOM 496 CB SER A 456 13.277 -5.561 -2.066 1.00 0.00 C ATOM 497 OG SER A 456 14.044 -4.368 -2.103 1.00 0.00 O ATOM 0 H SER A 456 13.331 -4.489 0.130 1.00 0.00 H new ATOM 0 HA SER A 456 11.320 -4.690 -1.767 1.00 0.00 H new ATOM 0 HB2 SER A 456 13.870 -6.368 -1.635 1.00 0.00 H new ATOM 0 HB3 SER A 456 13.017 -5.864 -3.080 1.00 0.00 H new ATOM 0 HG SER A 456 14.855 -4.517 -2.632 1.00 0.00 H new ATOM 503 N PRO A 457 11.758 -7.634 -0.245 1.00 0.00 N ATOM 504 CA PRO A 457 11.080 -8.920 -0.037 1.00 0.00 C ATOM 505 C PRO A 457 9.669 -8.720 0.503 1.00 0.00 C ATOM 506 O PRO A 457 8.777 -9.536 0.275 1.00 0.00 O ATOM 507 CB PRO A 457 11.948 -9.638 0.999 1.00 0.00 C ATOM 508 CG PRO A 457 13.277 -8.974 0.912 1.00 0.00 C ATOM 509 CD PRO A 457 12.997 -7.544 0.553 1.00 0.00 C ATOM 0 HA PRO A 457 10.973 -9.481 -0.965 1.00 0.00 H new ATOM 0 HB2 PRO A 457 11.526 -9.547 2.000 1.00 0.00 H new ATOM 0 HB3 PRO A 457 12.024 -10.703 0.781 1.00 0.00 H new ATOM 0 HG2 PRO A 457 13.811 -9.042 1.860 1.00 0.00 H new ATOM 0 HG3 PRO A 457 13.904 -9.451 0.158 1.00 0.00 H new ATOM 0 HD2 PRO A 457 12.861 -6.925 1.440 1.00 0.00 H new ATOM 0 HD3 PRO A 457 13.814 -7.105 -0.020 1.00 0.00 H new ATOM 517 N ASP A 458 9.488 -7.620 1.218 1.00 0.00 N ATOM 518 CA ASP A 458 8.194 -7.262 1.773 1.00 0.00 C ATOM 519 C ASP A 458 7.321 -6.594 0.711 1.00 0.00 C ATOM 520 O ASP A 458 6.224 -7.065 0.415 1.00 0.00 O ATOM 521 CB ASP A 458 8.387 -6.313 2.960 1.00 0.00 C ATOM 522 CG ASP A 458 7.110 -6.048 3.728 1.00 0.00 C ATOM 523 OD1 ASP A 458 6.129 -6.797 3.553 1.00 0.00 O ATOM 524 OD2 ASP A 458 7.097 -5.106 4.549 1.00 0.00 O ATOM 0 H ASP A 458 10.231 -6.954 1.429 1.00 0.00 H new ATOM 0 HA ASP A 458 7.695 -8.170 2.111 1.00 0.00 H new ATOM 0 HB2 ASP A 458 9.129 -6.736 3.637 1.00 0.00 H new ATOM 0 HB3 ASP A 458 8.788 -5.366 2.598 1.00 0.00 H new ATOM 529 N CYS A 459 7.851 -5.534 0.099 1.00 0.00 N ATOM 530 CA CYS A 459 7.144 -4.779 -0.931 1.00 0.00 C ATOM 531 C CYS A 459 8.146 -4.057 -1.835 1.00 0.00 C ATOM 532 O CYS A 459 9.301 -3.853 -1.463 1.00 0.00 O ATOM 533 CB CYS A 459 6.191 -3.759 -0.297 1.00 0.00 C ATOM 534 SG CYS A 459 4.741 -4.479 0.540 1.00 0.00 S ATOM 0 H CYS A 459 8.784 -5.176 0.305 1.00 0.00 H new ATOM 0 HA CYS A 459 6.560 -5.479 -1.528 1.00 0.00 H new ATOM 0 HB2 CYS A 459 6.749 -3.162 0.424 1.00 0.00 H new ATOM 0 HB3 CYS A 459 5.843 -3.078 -1.073 1.00 0.00 H new ATOM 539 N LYS A 460 7.718 -3.698 -3.033 1.00 0.00 N ATOM 540 CA LYS A 460 8.605 -3.055 -3.993 1.00 0.00 C ATOM 541 C LYS A 460 8.589 -1.536 -3.838 1.00 0.00 C ATOM 542 O LYS A 460 7.526 -0.921 -3.731 1.00 0.00 O ATOM 543 CB LYS A 460 8.207 -3.433 -5.420 1.00 0.00 C ATOM 544 CG LYS A 460 9.291 -3.134 -6.442 1.00 0.00 C ATOM 545 CD LYS A 460 8.822 -3.412 -7.856 1.00 0.00 C ATOM 546 CE LYS A 460 9.982 -3.393 -8.838 1.00 0.00 C ATOM 547 NZ LYS A 460 10.757 -2.126 -8.767 1.00 0.00 N ATOM 0 H LYS A 460 6.764 -3.839 -3.366 1.00 0.00 H new ATOM 0 HA LYS A 460 9.617 -3.407 -3.794 1.00 0.00 H new ATOM 0 HB2 LYS A 460 7.967 -4.496 -5.454 1.00 0.00 H new ATOM 0 HB3 LYS A 460 7.300 -2.893 -5.693 1.00 0.00 H new ATOM 0 HG2 LYS A 460 9.592 -2.090 -6.357 1.00 0.00 H new ATOM 0 HG3 LYS A 460 10.172 -3.739 -6.225 1.00 0.00 H new ATOM 0 HD2 LYS A 460 8.328 -4.383 -7.893 1.00 0.00 H new ATOM 0 HD3 LYS A 460 8.083 -2.667 -8.149 1.00 0.00 H new ATOM 0 HE2 LYS A 460 10.644 -4.234 -8.632 1.00 0.00 H new ATOM 0 HE3 LYS A 460 9.601 -3.528 -9.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 460 11.248 -1.969 -9.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 460 10.110 -1.333 -8.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 460 11.456 -2.189 -7.999 1.00 0.00 H new ATOM 561 N TRP A 461 9.770 -0.931 -3.912 1.00 0.00 N ATOM 562 CA TRP A 461 9.893 0.519 -3.895 1.00 0.00 C ATOM 563 C TRP A 461 9.815 1.057 -5.319 1.00 0.00 C ATOM 564 O TRP A 461 10.670 0.743 -6.148 1.00 0.00 O ATOM 565 CB TRP A 461 11.230 0.927 -3.267 1.00 0.00 C ATOM 566 CG TRP A 461 11.340 2.389 -2.976 1.00 0.00 C ATOM 567 CD1 TRP A 461 12.098 3.309 -3.639 1.00 0.00 C ATOM 568 CD2 TRP A 461 10.700 3.089 -1.909 1.00 0.00 C ATOM 569 NE1 TRP A 461 11.945 4.544 -3.061 1.00 0.00 N ATOM 570 CE2 TRP A 461 11.097 4.433 -1.993 1.00 0.00 C ATOM 571 CE3 TRP A 461 9.823 2.712 -0.896 1.00 0.00 C ATOM 572 CZ2 TRP A 461 10.643 5.393 -1.096 1.00 0.00 C ATOM 573 CZ3 TRP A 461 9.378 3.662 -0.009 1.00 0.00 C ATOM 574 CH2 TRP A 461 9.789 4.992 -0.112 1.00 0.00 C ATOM 0 H TRP A 461 10.658 -1.427 -3.985 1.00 0.00 H new ATOM 0 HA TRP A 461 9.079 0.936 -3.302 1.00 0.00 H new ATOM 0 HB2 TRP A 461 11.370 0.370 -2.340 1.00 0.00 H new ATOM 0 HB3 TRP A 461 12.039 0.638 -3.938 1.00 0.00 H new ATOM 0 HD1 TRP A 461 12.725 3.097 -4.492 1.00 0.00 H new ATOM 0 HE1 TRP A 461 12.391 5.405 -3.376 1.00 0.00 H new ATOM 0 HE3 TRP A 461 9.497 1.686 -0.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 461 10.957 6.423 -1.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 461 8.699 3.375 0.781 1.00 0.00 H new ATOM 0 HH2 TRP A 461 9.424 5.717 0.601 1.00 0.00 H new ATOM 585 N GLU A 462 8.808 1.873 -5.599 1.00 0.00 N ATOM 586 CA GLU A 462 8.657 2.450 -6.929 1.00 0.00 C ATOM 587 C GLU A 462 8.725 3.973 -6.874 1.00 0.00 C ATOM 588 O GLU A 462 7.852 4.615 -6.286 1.00 0.00 O ATOM 589 CB GLU A 462 7.334 2.014 -7.557 1.00 0.00 C ATOM 590 CG GLU A 462 7.280 0.539 -7.929 1.00 0.00 C ATOM 591 CD GLU A 462 8.252 0.179 -9.032 1.00 0.00 C ATOM 592 OE1 GLU A 462 9.477 0.197 -8.794 1.00 0.00 O ATOM 593 OE2 GLU A 462 7.794 -0.111 -10.156 1.00 0.00 O ATOM 0 H GLU A 462 8.089 2.149 -4.930 1.00 0.00 H new ATOM 0 HA GLU A 462 9.479 2.087 -7.545 1.00 0.00 H new ATOM 0 HB2 GLU A 462 6.524 2.232 -6.861 1.00 0.00 H new ATOM 0 HB3 GLU A 462 7.155 2.610 -8.452 1.00 0.00 H new ATOM 0 HG2 GLU A 462 7.499 -0.062 -7.047 1.00 0.00 H new ATOM 0 HG3 GLU A 462 6.268 0.285 -8.245 1.00 0.00 H new ATOM 600 N GLY A 463 9.745 4.532 -7.525 1.00 0.00 N ATOM 601 CA GLY A 463 9.921 5.977 -7.600 1.00 0.00 C ATOM 602 C GLY A 463 10.224 6.620 -6.258 1.00 0.00 C ATOM 603 O GLY A 463 11.326 7.122 -6.027 1.00 0.00 O ATOM 0 H GLY A 463 10.466 3.998 -8.011 1.00 0.00 H new ATOM 0 HA2 GLY A 463 10.732 6.201 -8.293 1.00 0.00 H new ATOM 0 HA3 GLY A 463 9.017 6.424 -8.013 1.00 0.00 H new ATOM 607 N GLY A 464 9.253 6.584 -5.368 1.00 0.00 N ATOM 608 CA GLY A 464 9.413 7.141 -4.046 1.00 0.00 C ATOM 609 C GLY A 464 8.252 6.762 -3.164 1.00 0.00 C ATOM 610 O GLY A 464 7.762 7.573 -2.377 1.00 0.00 O ATOM 0 H GLY A 464 8.337 6.170 -5.542 1.00 0.00 H new ATOM 0 HA2 GLY A 464 10.343 6.782 -3.605 1.00 0.00 H new ATOM 0 HA3 GLY A 464 9.488 8.227 -4.110 1.00 0.00 H new ATOM 614 N THR A 465 7.791 5.531 -3.321 1.00 0.00 N ATOM 615 CA THR A 465 6.652 5.039 -2.573 1.00 0.00 C ATOM 616 C THR A 465 6.654 3.511 -2.568 1.00 0.00 C ATOM 617 O THR A 465 7.109 2.880 -3.527 1.00 0.00 O ATOM 618 CB THR A 465 5.325 5.583 -3.159 1.00 0.00 C ATOM 619 OG1 THR A 465 4.225 5.276 -2.296 1.00 0.00 O ATOM 620 CG2 THR A 465 5.059 5.019 -4.548 1.00 0.00 C ATOM 0 H THR A 465 8.194 4.852 -3.966 1.00 0.00 H new ATOM 0 HA THR A 465 6.732 5.395 -1.546 1.00 0.00 H new ATOM 0 HB THR A 465 5.425 6.665 -3.239 1.00 0.00 H new ATOM 0 HG1 THR A 465 3.397 5.630 -2.683 1.00 0.00 H new ATOM 0 HG21 THR A 465 4.121 5.421 -4.930 1.00 0.00 H new ATOM 0 HG22 THR A 465 5.873 5.300 -5.217 1.00 0.00 H new ATOM 0 HG23 THR A 465 4.993 3.932 -4.493 1.00 0.00 H new ATOM 628 N CYS A 466 6.312 2.933 -1.428 1.00 0.00 N ATOM 629 CA CYS A 466 6.384 1.493 -1.238 1.00 0.00 C ATOM 630 C CYS A 466 5.026 0.848 -1.524 1.00 0.00 C ATOM 631 O CYS A 466 3.981 1.418 -1.199 1.00 0.00 O ATOM 632 CB CYS A 466 6.836 1.191 0.194 1.00 0.00 C ATOM 633 SG CYS A 466 7.406 -0.517 0.479 1.00 0.00 S ATOM 0 H CYS A 466 5.978 3.446 -0.612 1.00 0.00 H new ATOM 0 HA CYS A 466 7.109 1.073 -1.935 1.00 0.00 H new ATOM 0 HB2 CYS A 466 7.643 1.876 0.456 1.00 0.00 H new ATOM 0 HB3 CYS A 466 6.008 1.399 0.872 1.00 0.00 H new ATOM 638 N LYS A 467 5.041 -0.298 -2.195 1.00 0.00 N ATOM 639 CA LYS A 467 3.808 -0.978 -2.571 1.00 0.00 C ATOM 640 C LYS A 467 4.041 -2.468 -2.767 1.00 0.00 C ATOM 641 O LYS A 467 5.147 -2.895 -3.091 1.00 0.00 O ATOM 642 CB LYS A 467 3.223 -0.383 -3.853 1.00 0.00 C ATOM 643 CG LYS A 467 4.189 -0.382 -5.028 1.00 0.00 C ATOM 644 CD LYS A 467 4.736 1.007 -5.293 1.00 0.00 C ATOM 645 CE LYS A 467 3.647 1.954 -5.768 1.00 0.00 C ATOM 646 NZ LYS A 467 3.064 1.531 -7.070 1.00 0.00 N ATOM 0 H LYS A 467 5.893 -0.775 -2.490 1.00 0.00 H new ATOM 0 HA LYS A 467 3.099 -0.835 -1.756 1.00 0.00 H new ATOM 0 HB2 LYS A 467 2.331 -0.945 -4.129 1.00 0.00 H new ATOM 0 HB3 LYS A 467 2.906 0.641 -3.655 1.00 0.00 H new ATOM 0 HG2 LYS A 467 5.013 -1.066 -4.824 1.00 0.00 H new ATOM 0 HG3 LYS A 467 3.681 -0.751 -5.919 1.00 0.00 H new ATOM 0 HD2 LYS A 467 5.190 1.400 -4.383 1.00 0.00 H new ATOM 0 HD3 LYS A 467 5.524 0.951 -6.044 1.00 0.00 H new ATOM 0 HE2 LYS A 467 2.858 2.004 -5.017 1.00 0.00 H new ATOM 0 HE3 LYS A 467 4.058 2.959 -5.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 467 2.520 2.318 -7.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 467 3.829 1.263 -7.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 467 2.435 0.716 -6.920 1.00 0.00 H new ATOM 660 N ASP A 468 2.994 -3.248 -2.536 1.00 0.00 N ATOM 661 CA ASP A 468 3.050 -4.702 -2.667 1.00 0.00 C ATOM 662 C ASP A 468 3.519 -5.128 -4.056 1.00 0.00 C ATOM 663 O ASP A 468 4.025 -6.259 -4.189 1.00 0.00 O ATOM 664 CB ASP A 468 1.673 -5.311 -2.401 1.00 0.00 C ATOM 665 CG ASP A 468 0.650 -4.923 -3.455 1.00 0.00 C ATOM 666 OD1 ASP A 468 0.337 -3.716 -3.576 1.00 0.00 O ATOM 667 OD2 ASP A 468 0.160 -5.818 -4.176 1.00 0.00 O ATOM 668 OXT ASP A 468 3.359 -4.344 -5.014 1.00 0.00 O ATOM 0 H ASP A 468 2.081 -2.893 -2.252 1.00 0.00 H new ATOM 0 HA ASP A 468 3.769 -5.064 -1.932 1.00 0.00 H new ATOM 0 HB2 ASP A 468 1.760 -6.397 -2.367 1.00 0.00 H new ATOM 0 HB3 ASP A 468 1.320 -4.989 -1.421 1.00 0.00 H new TER 673 ASP A 468