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+ 170:sc= 0 (180deg=-0.124) USER MOD Single : A 425 SER OG : rot 180:sc= 0 USER MOD Single : A 426 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0218) 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 :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 434 THR OG1 : rot 180:sc= 0 USER MOD Single : A 435 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 436 THR OG1 : rot 180:sc= -0.205 USER MOD Single : A 441 THR OG1 : rot 180:sc= 0 USER MOD Single : A 442 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 445 LYS NZ :NH3+ 171:sc=-0.00269 (180deg=-0.0903) USER MOD Single : A 447 LYS NZ :NH3+ -153:sc= -0.14 (180deg=-0.684) USER MOD Single : A 449 LYS NZ :NH3+ -133:sc= -0.0552 (180deg=-0.374) USER MOD Single : A 452 LYS NZ :NH3+ 172:sc=-0.00125 (180deg=-0.0753) USER MOD Single : A 455 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 SER OG : rot 180:sc= 0 USER MOD Single : A 460 LYS NZ :NH3+ 171:sc= 1.27 (180deg=0.981) USER MOD Single : A 465 THR OG1 : rot 180:sc= -0.0143 USER MOD Single : A 467 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 421 -6.672 -28.210 -28.890 1.00 0.00 N ATOM 2 CA GLY A 421 -6.944 -27.353 -30.067 1.00 0.00 C ATOM 3 C GLY A 421 -8.414 -27.013 -30.179 1.00 0.00 C ATOM 4 O GLY A 421 -9.074 -26.784 -29.165 1.00 0.00 O ATOM 0 HA2 GLY A 421 -6.362 -26.434 -29.992 1.00 0.00 H new ATOM 0 HA3 GLY A 421 -6.618 -27.864 -30.973 1.00 0.00 H new ATOM 10 N THR A 422 -8.935 -27.019 -31.399 1.00 0.00 N ATOM 11 CA THR A 422 -10.344 -26.732 -31.633 1.00 0.00 C ATOM 12 C THR A 422 -11.222 -27.842 -31.058 1.00 0.00 C ATOM 13 O THR A 422 -11.017 -29.019 -31.351 1.00 0.00 O ATOM 14 CB THR A 422 -10.621 -26.578 -33.141 1.00 0.00 C ATOM 15 OG1 THR A 422 -9.658 -25.681 -33.720 1.00 0.00 O ATOM 16 CG2 THR A 422 -12.026 -26.045 -33.386 1.00 0.00 C ATOM 0 H THR A 422 -8.401 -27.220 -32.244 1.00 0.00 H new ATOM 0 HA THR A 422 -10.586 -25.795 -31.131 1.00 0.00 H new ATOM 0 HB THR A 422 -10.539 -27.560 -33.607 1.00 0.00 H new ATOM 0 HG1 THR A 422 -9.835 -25.586 -34.679 1.00 0.00 H new ATOM 0 HG21 THR A 422 -12.196 -25.946 -34.458 1.00 0.00 H new ATOM 0 HG22 THR A 422 -12.756 -26.737 -32.966 1.00 0.00 H new ATOM 0 HG23 THR A 422 -12.134 -25.070 -32.910 1.00 0.00 H new ATOM 24 N LYS A 423 -12.142 -27.466 -30.179 1.00 0.00 N ATOM 25 CA LYS A 423 -12.990 -28.431 -29.488 1.00 0.00 C ATOM 26 C LYS A 423 -14.146 -27.715 -28.796 1.00 0.00 C ATOM 27 O LYS A 423 -15.247 -28.254 -28.681 1.00 0.00 O ATOM 28 CB LYS A 423 -12.163 -29.218 -28.466 1.00 0.00 C ATOM 29 CG LYS A 423 -12.899 -30.394 -27.843 1.00 0.00 C ATOM 30 CD LYS A 423 -11.981 -31.194 -26.930 1.00 0.00 C ATOM 31 CE LYS A 423 -12.697 -32.379 -26.303 1.00 0.00 C ATOM 32 NZ LYS A 423 -13.131 -33.375 -27.320 1.00 0.00 N ATOM 0 H LYS A 423 -12.321 -26.494 -29.926 1.00 0.00 H new ATOM 0 HA LYS A 423 -13.400 -29.128 -30.219 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -11.259 -29.585 -28.952 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -11.846 -28.541 -27.673 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -13.756 -30.031 -27.275 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -13.289 -31.041 -28.629 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -11.122 -31.549 -27.500 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -11.596 -30.545 -26.143 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -12.036 -32.862 -25.583 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -13.567 -32.025 -25.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -13.460 -34.238 -26.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -13.906 -32.977 -27.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -12.331 -33.607 -27.942 1.00 0.00 H new ATOM 46 N ALA A 424 -13.892 -26.491 -28.354 1.00 0.00 N ATOM 47 CA ALA A 424 -14.910 -25.692 -27.684 1.00 0.00 C ATOM 48 C ALA A 424 -14.691 -24.204 -27.937 1.00 0.00 C ATOM 49 O ALA A 424 -15.647 -23.435 -28.025 1.00 0.00 O ATOM 50 CB ALA A 424 -14.908 -25.980 -26.191 1.00 0.00 C ATOM 0 H ALA A 424 -12.988 -26.028 -28.447 1.00 0.00 H new ATOM 0 HA ALA A 424 -15.882 -25.966 -28.094 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -15.673 -25.376 -25.703 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -15.118 -27.036 -26.024 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -13.931 -25.734 -25.774 1.00 0.00 H new ATOM 56 N SER A 425 -13.422 -23.809 -28.013 1.00 0.00 N ATOM 57 CA SER A 425 -13.034 -22.419 -28.238 1.00 0.00 C ATOM 58 C SER A 425 -13.580 -21.512 -27.136 1.00 0.00 C ATOM 59 O SER A 425 -13.911 -20.347 -27.375 1.00 0.00 O ATOM 60 CB SER A 425 -13.508 -21.948 -29.618 1.00 0.00 C ATOM 61 OG SER A 425 -13.024 -22.805 -30.644 1.00 0.00 O ATOM 0 H SER A 425 -12.631 -24.447 -27.920 1.00 0.00 H new ATOM 0 HA SER A 425 -11.946 -22.360 -28.209 1.00 0.00 H new ATOM 0 HB2 SER A 425 -14.597 -21.924 -29.643 1.00 0.00 H new ATOM 0 HB3 SER A 425 -13.163 -20.930 -29.797 1.00 0.00 H new ATOM 0 HG SER A 425 -13.341 -22.485 -31.514 1.00 0.00 H new ATOM 67 N LYS A 426 -13.581 -22.033 -25.910 1.00 0.00 N ATOM 68 CA LYS A 426 -13.994 -21.268 -24.735 1.00 0.00 C ATOM 69 C LYS A 426 -13.786 -22.079 -23.461 1.00 0.00 C ATOM 70 O LYS A 426 -13.471 -21.515 -22.414 1.00 0.00 O ATOM 71 CB LYS A 426 -15.460 -20.812 -24.833 1.00 0.00 C ATOM 72 CG LYS A 426 -16.477 -21.937 -24.947 1.00 0.00 C ATOM 73 CD LYS A 426 -17.895 -21.393 -24.881 1.00 0.00 C ATOM 74 CE LYS A 426 -18.936 -22.500 -24.942 1.00 0.00 C ATOM 75 NZ LYS A 426 -18.957 -23.185 -26.262 1.00 0.00 N ATOM 0 H LYS A 426 -13.298 -22.991 -25.704 1.00 0.00 H new ATOM 0 HA LYS A 426 -13.367 -20.377 -24.698 1.00 0.00 H new ATOM 0 HB2 LYS A 426 -15.699 -20.215 -23.953 1.00 0.00 H new ATOM 0 HB3 LYS A 426 -15.564 -20.159 -25.699 1.00 0.00 H new ATOM 0 HG2 LYS A 426 -16.331 -22.471 -25.886 1.00 0.00 H new ATOM 0 HG3 LYS A 426 -16.321 -22.657 -24.143 1.00 0.00 H new ATOM 0 HD2 LYS A 426 -18.023 -20.826 -23.959 1.00 0.00 H new ATOM 0 HD3 LYS A 426 -18.055 -20.699 -25.706 1.00 0.00 H new ATOM 0 HE2 LYS A 426 -18.732 -23.231 -24.159 1.00 0.00 H new ATOM 0 HE3 LYS A 426 -19.921 -22.081 -24.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 426 -19.737 -23.872 -26.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 426 -19.094 -22.482 -27.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 426 -18.055 -23.681 -26.410 1.00 0.00 H new ATOM 89 N SER A 427 -13.985 -23.398 -23.564 1.00 0.00 N ATOM 90 CA SER A 427 -13.837 -24.323 -22.432 1.00 0.00 C ATOM 91 C SER A 427 -14.929 -24.116 -21.380 1.00 0.00 C ATOM 92 O SER A 427 -15.267 -22.987 -21.028 1.00 0.00 O ATOM 93 CB SER A 427 -12.448 -24.181 -21.793 1.00 0.00 C ATOM 94 OG SER A 427 -11.421 -24.361 -22.758 1.00 0.00 O ATOM 0 H SER A 427 -14.254 -23.856 -24.435 1.00 0.00 H new ATOM 0 HA SER A 427 -13.944 -25.334 -22.825 1.00 0.00 H new ATOM 0 HB2 SER A 427 -12.353 -23.196 -21.336 1.00 0.00 H new ATOM 0 HB3 SER A 427 -12.334 -24.915 -20.995 1.00 0.00 H new ATOM 0 HG SER A 427 -10.546 -24.264 -22.327 1.00 0.00 H new ATOM 100 N GLY A 428 -15.486 -25.218 -20.893 1.00 0.00 N ATOM 101 CA GLY A 428 -16.520 -25.144 -19.881 1.00 0.00 C ATOM 102 C GLY A 428 -16.015 -24.503 -18.607 1.00 0.00 C ATOM 103 O GLY A 428 -16.599 -23.537 -18.114 1.00 0.00 O ATOM 0 H GLY A 428 -15.238 -26.164 -21.183 1.00 0.00 H new ATOM 0 HA2 GLY A 428 -17.365 -24.572 -20.266 1.00 0.00 H new ATOM 0 HA3 GLY A 428 -16.887 -26.147 -19.663 1.00 0.00 H new ATOM 107 N VAL A 429 -14.867 -24.968 -18.136 1.00 0.00 N ATOM 108 CA VAL A 429 -14.221 -24.365 -16.978 1.00 0.00 C ATOM 109 C VAL A 429 -13.294 -23.228 -17.406 1.00 0.00 C ATOM 110 O VAL A 429 -12.750 -23.244 -18.513 1.00 0.00 O ATOM 111 CB VAL A 429 -13.429 -25.402 -16.149 1.00 0.00 C ATOM 112 CG1 VAL A 429 -14.378 -26.368 -15.458 1.00 0.00 C ATOM 113 CG2 VAL A 429 -12.441 -26.157 -17.023 1.00 0.00 C ATOM 0 H VAL A 429 -14.364 -25.760 -18.537 1.00 0.00 H new ATOM 0 HA VAL A 429 -15.014 -23.965 -16.346 1.00 0.00 H new ATOM 0 HB VAL A 429 -12.864 -24.866 -15.386 1.00 0.00 H new ATOM 0 HG11 VAL A 429 -13.803 -27.091 -14.879 1.00 0.00 H new ATOM 0 HG12 VAL A 429 -15.040 -25.814 -14.792 1.00 0.00 H new ATOM 0 HG13 VAL A 429 -14.972 -26.893 -16.206 1.00 0.00 H new ATOM 0 HG21 VAL A 429 -11.897 -26.880 -16.416 1.00 0.00 H new ATOM 0 HG22 VAL A 429 -12.980 -26.679 -17.814 1.00 0.00 H new ATOM 0 HG23 VAL A 429 -11.737 -25.454 -17.467 1.00 0.00 H new ATOM 123 N PRO A 430 -13.164 -22.187 -16.568 1.00 0.00 N ATOM 124 CA PRO A 430 -12.334 -21.015 -16.877 1.00 0.00 C ATOM 125 C PRO A 430 -10.857 -21.378 -17.033 1.00 0.00 C ATOM 126 O PRO A 430 -10.130 -20.739 -17.798 1.00 0.00 O ATOM 127 CB PRO A 430 -12.537 -20.089 -15.670 1.00 0.00 C ATOM 128 CG PRO A 430 -13.792 -20.567 -15.024 1.00 0.00 C ATOM 129 CD PRO A 430 -13.845 -22.046 -15.270 1.00 0.00 C ATOM 0 HA PRO A 430 -12.619 -20.558 -17.825 1.00 0.00 H new ATOM 0 HB2 PRO A 430 -11.693 -20.146 -14.983 1.00 0.00 H new ATOM 0 HB3 PRO A 430 -12.625 -19.048 -15.981 1.00 0.00 H new ATOM 0 HG2 PRO A 430 -13.789 -20.349 -13.956 1.00 0.00 H new ATOM 0 HG3 PRO A 430 -14.664 -20.069 -15.449 1.00 0.00 H new ATOM 0 HD2 PRO A 430 -13.337 -22.605 -14.484 1.00 0.00 H new ATOM 0 HD3 PRO A 430 -14.871 -22.413 -15.310 1.00 0.00 H new ATOM 137 N VAL A 431 -10.422 -22.398 -16.290 1.00 0.00 N ATOM 138 CA VAL A 431 -9.032 -22.857 -16.316 1.00 0.00 C ATOM 139 C VAL A 431 -8.090 -21.730 -15.880 1.00 0.00 C ATOM 140 O VAL A 431 -7.170 -21.348 -16.603 1.00 0.00 O ATOM 141 CB VAL A 431 -8.611 -23.388 -17.712 1.00 0.00 C ATOM 142 CG1 VAL A 431 -7.274 -24.113 -17.638 1.00 0.00 C ATOM 143 CG2 VAL A 431 -9.675 -24.308 -18.287 1.00 0.00 C ATOM 0 H VAL A 431 -11.021 -22.927 -15.656 1.00 0.00 H new ATOM 0 HA VAL A 431 -8.958 -23.688 -15.614 1.00 0.00 H new ATOM 0 HB VAL A 431 -8.502 -22.529 -18.374 1.00 0.00 H new ATOM 0 HG11 VAL A 431 -7.001 -24.475 -18.629 1.00 0.00 H new ATOM 0 HG12 VAL A 431 -6.507 -23.426 -17.279 1.00 0.00 H new ATOM 0 HG13 VAL A 431 -7.355 -24.957 -16.953 1.00 0.00 H new ATOM 0 HG21 VAL A 431 -9.356 -24.667 -19.266 1.00 0.00 H new ATOM 0 HG22 VAL A 431 -9.821 -25.157 -17.619 1.00 0.00 H new ATOM 0 HG23 VAL A 431 -10.612 -23.761 -18.389 1.00 0.00 H new ATOM 153 N THR A 432 -8.384 -21.146 -14.726 1.00 0.00 N ATOM 154 CA THR A 432 -7.592 -20.042 -14.202 1.00 0.00 C ATOM 155 C THR A 432 -6.173 -20.501 -13.868 1.00 0.00 C ATOM 156 O THR A 432 -5.981 -21.488 -13.152 1.00 0.00 O ATOM 157 CB THR A 432 -8.249 -19.448 -12.943 1.00 0.00 C ATOM 158 OG1 THR A 432 -9.620 -19.128 -13.220 1.00 0.00 O ATOM 159 CG2 THR A 432 -7.514 -18.198 -12.483 1.00 0.00 C ATOM 0 H THR A 432 -9.168 -21.420 -14.133 1.00 0.00 H new ATOM 0 HA THR A 432 -7.544 -19.274 -14.974 1.00 0.00 H new ATOM 0 HB THR A 432 -8.198 -20.189 -12.146 1.00 0.00 H new ATOM 0 HG1 THR A 432 -10.037 -18.752 -12.417 1.00 0.00 H new ATOM 0 HG21 THR A 432 -7.998 -17.798 -11.592 1.00 0.00 H new ATOM 0 HG22 THR A 432 -6.479 -18.449 -12.252 1.00 0.00 H new ATOM 0 HG23 THR A 432 -7.537 -17.450 -13.275 1.00 0.00 H new ATOM 167 N GLN A 433 -5.189 -19.798 -14.412 1.00 0.00 N ATOM 168 CA GLN A 433 -3.791 -20.131 -14.181 1.00 0.00 C ATOM 169 C GLN A 433 -3.333 -19.606 -12.827 1.00 0.00 C ATOM 170 O GLN A 433 -2.798 -20.355 -12.009 1.00 0.00 O ATOM 171 CB GLN A 433 -2.920 -19.540 -15.293 1.00 0.00 C ATOM 172 CG GLN A 433 -1.430 -19.759 -15.087 1.00 0.00 C ATOM 173 CD GLN A 433 -0.570 -19.011 -16.091 1.00 0.00 C ATOM 174 OE1 GLN A 433 -1.191 -18.417 -17.100 1.00 0.00 O flip ATOM 175 NE2 GLN A 433 0.652 -18.976 -15.965 1.00 0.00 N flip ATOM 0 H GLN A 433 -5.334 -18.991 -15.018 1.00 0.00 H new ATOM 0 HA GLN A 433 -3.688 -21.216 -14.186 1.00 0.00 H new ATOM 0 HB2 GLN A 433 -3.214 -19.981 -16.245 1.00 0.00 H new ATOM 0 HB3 GLN A 433 -3.114 -18.470 -15.364 1.00 0.00 H new ATOM 0 HG2 GLN A 433 -1.159 -19.443 -14.080 1.00 0.00 H new ATOM 0 HG3 GLN A 433 -1.213 -20.825 -15.156 1.00 0.00 H new ATOM 0 HE21 GLN A 433 1.097 -19.445 -15.176 1.00 0.00 H new ATOM 0 HE22 GLN A 433 1.221 -18.478 -16.650 1.00 0.00 H new ATOM 184 N THR A 434 -3.543 -18.314 -12.602 1.00 0.00 N ATOM 185 CA THR A 434 -3.119 -17.665 -11.368 1.00 0.00 C ATOM 186 C THR A 434 -3.668 -16.243 -11.292 1.00 0.00 C ATOM 187 O THR A 434 -3.745 -15.543 -12.305 1.00 0.00 O ATOM 188 CB THR A 434 -1.574 -17.631 -11.246 1.00 0.00 C ATOM 189 OG1 THR A 434 -1.185 -16.900 -10.077 1.00 0.00 O ATOM 190 CG2 THR A 434 -0.932 -17.003 -12.477 1.00 0.00 C ATOM 0 H THR A 434 -4.008 -17.692 -13.263 1.00 0.00 H new ATOM 0 HA THR A 434 -3.518 -18.251 -10.540 1.00 0.00 H new ATOM 0 HB THR A 434 -1.227 -18.661 -11.165 1.00 0.00 H new ATOM 0 HG1 THR A 434 -0.207 -16.887 -10.010 1.00 0.00 H new ATOM 0 HG21 THR A 434 0.151 -16.995 -12.358 1.00 0.00 H new ATOM 0 HG22 THR A 434 -1.196 -17.583 -13.361 1.00 0.00 H new ATOM 0 HG23 THR A 434 -1.292 -15.981 -12.593 1.00 0.00 H new ATOM 198 N GLN A 435 -4.076 -15.829 -10.096 1.00 0.00 N ATOM 199 CA GLN A 435 -4.625 -14.495 -9.888 1.00 0.00 C ATOM 200 C GLN A 435 -4.183 -13.939 -8.541 1.00 0.00 C ATOM 201 O GLN A 435 -5.001 -13.410 -7.788 1.00 0.00 O ATOM 202 CB GLN A 435 -6.154 -14.513 -9.962 1.00 0.00 C ATOM 203 CG GLN A 435 -6.700 -14.800 -11.350 1.00 0.00 C ATOM 204 CD GLN A 435 -8.213 -14.763 -11.396 1.00 0.00 C ATOM 205 OE1 GLN A 435 -8.887 -15.520 -10.695 1.00 0.00 O ATOM 206 NE2 GLN A 435 -8.758 -13.875 -12.213 1.00 0.00 N ATOM 0 H GLN A 435 -4.036 -16.402 -9.253 1.00 0.00 H new ATOM 0 HA GLN A 435 -4.245 -13.852 -10.682 1.00 0.00 H new ATOM 0 HB2 GLN A 435 -6.533 -15.266 -9.271 1.00 0.00 H new ATOM 0 HB3 GLN A 435 -6.536 -13.549 -9.624 1.00 0.00 H new ATOM 0 HG2 GLN A 435 -6.300 -14.069 -12.053 1.00 0.00 H new ATOM 0 HG3 GLN A 435 -6.353 -15.780 -11.678 1.00 0.00 H new ATOM 0 HE21 GLN A 435 -8.163 -13.267 -12.776 1.00 0.00 H new ATOM 0 HE22 GLN A 435 -9.773 -13.799 -12.279 1.00 0.00 H new ATOM 215 N THR A 436 -2.880 -14.052 -8.269 1.00 0.00 N ATOM 216 CA THR A 436 -2.252 -13.527 -7.045 1.00 0.00 C ATOM 217 C THR A 436 -3.103 -13.815 -5.791 1.00 0.00 C ATOM 218 O THR A 436 -3.361 -12.937 -4.963 1.00 0.00 O ATOM 219 CB THR A 436 -1.906 -12.009 -7.184 1.00 0.00 C ATOM 220 OG1 THR A 436 -1.064 -11.579 -6.109 1.00 0.00 O ATOM 221 CG2 THR A 436 -3.145 -11.121 -7.233 1.00 0.00 C ATOM 0 H THR A 436 -2.222 -14.514 -8.896 1.00 0.00 H new ATOM 0 HA THR A 436 -1.310 -14.059 -6.912 1.00 0.00 H new ATOM 0 HB THR A 436 -1.382 -11.905 -8.134 1.00 0.00 H new ATOM 0 HG1 THR A 436 -0.858 -10.627 -6.216 1.00 0.00 H new ATOM 0 HG21 THR A 436 -2.842 -10.078 -7.330 1.00 0.00 H new ATOM 0 HG22 THR A 436 -3.760 -11.401 -8.088 1.00 0.00 H new ATOM 0 HG23 THR A 436 -3.720 -11.248 -6.316 1.00 0.00 H new ATOM 229 N ALA A 437 -3.539 -15.067 -5.667 1.00 0.00 N ATOM 230 CA ALA A 437 -4.381 -15.491 -4.552 1.00 0.00 C ATOM 231 C ALA A 437 -3.624 -15.463 -3.224 1.00 0.00 C ATOM 232 O ALA A 437 -4.227 -15.307 -2.163 1.00 0.00 O ATOM 233 CB ALA A 437 -4.935 -16.881 -4.815 1.00 0.00 C ATOM 0 H ALA A 437 -3.321 -15.810 -6.331 1.00 0.00 H new ATOM 0 HA ALA A 437 -5.206 -14.783 -4.472 1.00 0.00 H new ATOM 0 HB1 ALA A 437 -5.561 -17.187 -3.977 1.00 0.00 H new ATOM 0 HB2 ALA A 437 -5.530 -16.869 -5.728 1.00 0.00 H new ATOM 0 HB3 ALA A 437 -4.111 -17.586 -4.929 1.00 0.00 H new ATOM 239 N GLY A 438 -2.315 -15.668 -3.288 1.00 0.00 N ATOM 240 CA GLY A 438 -1.502 -15.676 -2.087 1.00 0.00 C ATOM 241 C GLY A 438 -1.408 -14.305 -1.451 1.00 0.00 C ATOM 242 O GLY A 438 -1.542 -14.165 -0.234 1.00 0.00 O ATOM 0 H GLY A 438 -1.800 -15.829 -4.153 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -1.924 -16.379 -1.369 1.00 0.00 H new ATOM 0 HA3 GLY A 438 -0.501 -16.031 -2.330 1.00 0.00 H new ATOM 246 N ALA A 439 -1.196 -13.290 -2.279 1.00 0.00 N ATOM 247 CA ALA A 439 -1.114 -11.912 -1.811 1.00 0.00 C ATOM 248 C ALA A 439 -2.462 -11.438 -1.278 1.00 0.00 C ATOM 249 O ALA A 439 -3.513 -11.908 -1.718 1.00 0.00 O ATOM 250 CB ALA A 439 -0.638 -10.999 -2.931 1.00 0.00 C ATOM 0 H ALA A 439 -1.077 -13.397 -3.286 1.00 0.00 H new ATOM 0 HA ALA A 439 -0.392 -11.872 -0.996 1.00 0.00 H new ATOM 0 HB1 ALA A 439 -0.582 -9.974 -2.566 1.00 0.00 H new ATOM 0 HB2 ALA A 439 0.348 -11.319 -3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 439 -1.339 -11.049 -3.764 1.00 0.00 H new ATOM 256 N ASP A 440 -2.429 -10.476 -0.361 1.00 0.00 N ATOM 257 CA ASP A 440 -3.649 -9.904 0.210 1.00 0.00 C ATOM 258 C ASP A 440 -4.291 -8.904 -0.754 1.00 0.00 C ATOM 259 O ASP A 440 -4.818 -7.873 -0.326 1.00 0.00 O ATOM 260 CB ASP A 440 -3.344 -9.203 1.541 1.00 0.00 C ATOM 261 CG ASP A 440 -3.161 -10.164 2.699 1.00 0.00 C ATOM 262 OD1 ASP A 440 -2.265 -11.033 2.629 1.00 0.00 O ATOM 263 OD2 ASP A 440 -3.908 -10.046 3.694 1.00 0.00 O ATOM 0 H ASP A 440 -1.567 -10.073 0.006 1.00 0.00 H new ATOM 0 HA ASP A 440 -4.347 -10.723 0.384 1.00 0.00 H new ATOM 0 HB2 ASP A 440 -2.440 -8.604 1.429 1.00 0.00 H new ATOM 0 HB3 ASP A 440 -4.156 -8.514 1.775 1.00 0.00 H new ATOM 268 N THR A 441 -4.222 -9.211 -2.052 1.00 0.00 N ATOM 269 CA THR A 441 -4.743 -8.347 -3.115 1.00 0.00 C ATOM 270 C THR A 441 -3.907 -7.071 -3.257 1.00 0.00 C ATOM 271 O THR A 441 -3.255 -6.857 -4.280 1.00 0.00 O ATOM 272 CB THR A 441 -6.231 -7.998 -2.885 1.00 0.00 C ATOM 273 OG1 THR A 441 -7.003 -9.208 -2.838 1.00 0.00 O ATOM 274 CG2 THR A 441 -6.767 -7.093 -3.989 1.00 0.00 C ATOM 0 H THR A 441 -3.800 -10.073 -2.398 1.00 0.00 H new ATOM 0 HA THR A 441 -4.670 -8.907 -4.047 1.00 0.00 H new ATOM 0 HB THR A 441 -6.314 -7.463 -1.939 1.00 0.00 H new ATOM 0 HG1 THR A 441 -7.947 -8.988 -2.690 1.00 0.00 H new ATOM 0 HG21 THR A 441 -7.816 -6.867 -3.797 1.00 0.00 H new ATOM 0 HG22 THR A 441 -6.194 -6.166 -4.010 1.00 0.00 H new ATOM 0 HG23 THR A 441 -6.675 -7.598 -4.950 1.00 0.00 H new ATOM 282 N THR A 442 -3.805 -6.314 -2.177 1.00 0.00 N ATOM 283 CA THR A 442 -2.946 -5.146 -2.127 1.00 0.00 C ATOM 284 C THR A 442 -2.552 -4.878 -0.682 1.00 0.00 C ATOM 285 O THR A 442 -3.373 -4.425 0.119 1.00 0.00 O ATOM 286 CB THR A 442 -3.645 -3.892 -2.700 1.00 0.00 C ATOM 287 OG1 THR A 442 -4.236 -4.185 -3.976 1.00 0.00 O ATOM 288 CG2 THR A 442 -2.655 -2.743 -2.848 1.00 0.00 C ATOM 0 H THR A 442 -4.315 -6.493 -1.312 1.00 0.00 H new ATOM 0 HA THR A 442 -2.066 -5.350 -2.737 1.00 0.00 H new ATOM 0 HB THR A 442 -4.428 -3.596 -2.002 1.00 0.00 H new ATOM 0 HG1 THR A 442 -4.676 -3.382 -4.325 1.00 0.00 H new ATOM 0 HG21 THR A 442 -3.168 -1.871 -3.253 1.00 0.00 H new ATOM 0 HG22 THR A 442 -2.235 -2.497 -1.873 1.00 0.00 H new ATOM 0 HG23 THR A 442 -1.853 -3.039 -3.524 1.00 0.00 H new ATOM 296 N ALA A 443 -1.326 -5.230 -0.333 1.00 0.00 N ATOM 297 CA ALA A 443 -0.844 -5.052 1.025 1.00 0.00 C ATOM 298 C ALA A 443 -0.526 -3.586 1.293 1.00 0.00 C ATOM 299 O ALA A 443 0.620 -3.150 1.148 1.00 0.00 O ATOM 300 CB ALA A 443 0.376 -5.922 1.278 1.00 0.00 C ATOM 0 H ALA A 443 -0.646 -5.641 -0.973 1.00 0.00 H new ATOM 0 HA ALA A 443 -1.632 -5.361 1.712 1.00 0.00 H new ATOM 0 HB1 ALA A 443 0.722 -5.774 2.301 1.00 0.00 H new ATOM 0 HB2 ALA A 443 0.113 -6.970 1.132 1.00 0.00 H new ATOM 0 HB3 ALA A 443 1.169 -5.647 0.583 1.00 0.00 H new ATOM 306 N GLU A 444 -1.546 -2.817 1.673 1.00 0.00 N ATOM 307 CA GLU A 444 -1.377 -1.389 1.925 1.00 0.00 C ATOM 308 C GLU A 444 -0.693 -1.125 3.259 1.00 0.00 C ATOM 309 O GLU A 444 -0.740 -0.016 3.790 1.00 0.00 O ATOM 310 CB GLU A 444 -2.719 -0.664 1.869 1.00 0.00 C ATOM 311 CG GLU A 444 -3.409 -0.778 0.522 1.00 0.00 C ATOM 312 CD GLU A 444 -4.638 0.098 0.429 1.00 0.00 C ATOM 313 OE1 GLU A 444 -4.493 1.338 0.445 1.00 0.00 O ATOM 314 OE2 GLU A 444 -5.758 -0.450 0.338 1.00 0.00 O ATOM 0 H GLU A 444 -2.496 -3.160 1.813 1.00 0.00 H new ATOM 0 HA GLU A 444 -0.732 -0.999 1.137 1.00 0.00 H new ATOM 0 HB2 GLU A 444 -3.375 -1.068 2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 444 -2.565 0.390 2.102 1.00 0.00 H new ATOM 0 HG2 GLU A 444 -2.709 -0.502 -0.267 1.00 0.00 H new ATOM 0 HG3 GLU A 444 -3.692 -1.816 0.348 1.00 0.00 H new ATOM 321 N LYS A 445 0.113 -2.080 3.662 1.00 0.00 N ATOM 322 CA LYS A 445 1.015 -1.904 4.782 1.00 0.00 C ATOM 323 C LYS A 445 2.328 -1.349 4.258 1.00 0.00 C ATOM 324 O LYS A 445 3.041 -0.631 4.953 1.00 0.00 O ATOM 325 CB LYS A 445 1.240 -3.232 5.509 1.00 0.00 C ATOM 326 CG LYS A 445 -0.019 -3.797 6.151 1.00 0.00 C ATOM 327 CD LYS A 445 -0.551 -2.878 7.238 1.00 0.00 C ATOM 328 CE LYS A 445 -1.845 -3.408 7.835 1.00 0.00 C ATOM 329 NZ LYS A 445 -1.659 -4.716 8.515 1.00 0.00 N ATOM 0 H LYS A 445 0.164 -3.000 3.225 1.00 0.00 H new ATOM 0 HA LYS A 445 0.581 -1.208 5.500 1.00 0.00 H new ATOM 0 HB2 LYS A 445 1.636 -3.961 4.802 1.00 0.00 H new ATOM 0 HB3 LYS A 445 1.998 -3.091 6.279 1.00 0.00 H new ATOM 0 HG2 LYS A 445 -0.784 -3.941 5.388 1.00 0.00 H new ATOM 0 HG3 LYS A 445 0.196 -4.778 6.575 1.00 0.00 H new ATOM 0 HD2 LYS A 445 0.197 -2.772 8.024 1.00 0.00 H new ATOM 0 HD3 LYS A 445 -0.721 -1.884 6.824 1.00 0.00 H new ATOM 0 HE2 LYS A 445 -2.237 -2.683 8.548 1.00 0.00 H new ATOM 0 HE3 LYS A 445 -2.590 -3.514 7.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 445 -2.525 -4.964 9.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 445 -1.458 -5.450 7.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 445 -0.863 -4.651 9.181 1.00 0.00 H new ATOM 343 N CYS A 446 2.591 -1.633 2.986 1.00 0.00 N ATOM 344 CA CYS A 446 3.758 -1.105 2.305 1.00 0.00 C ATOM 345 C CYS A 446 3.558 0.371 2.012 1.00 0.00 C ATOM 346 O CYS A 446 4.450 1.191 2.215 1.00 0.00 O ATOM 347 CB CYS A 446 3.988 -1.855 0.992 1.00 0.00 C ATOM 348 SG CYS A 446 4.100 -3.663 1.162 1.00 0.00 S ATOM 0 H CYS A 446 2.003 -2.232 2.406 1.00 0.00 H new ATOM 0 HA CYS A 446 4.628 -1.236 2.949 1.00 0.00 H new ATOM 0 HB2 CYS A 446 3.175 -1.617 0.306 1.00 0.00 H new ATOM 0 HB3 CYS A 446 4.908 -1.488 0.536 1.00 0.00 H new ATOM 353 N LYS A 447 2.370 0.688 1.517 1.00 0.00 N ATOM 354 CA LYS A 447 2.021 2.050 1.157 1.00 0.00 C ATOM 355 C LYS A 447 2.097 2.962 2.374 1.00 0.00 C ATOM 356 O LYS A 447 1.413 2.734 3.370 1.00 0.00 O ATOM 357 CB LYS A 447 0.611 2.065 0.568 1.00 0.00 C ATOM 358 CG LYS A 447 0.266 3.332 -0.191 1.00 0.00 C ATOM 359 CD LYS A 447 1.247 3.589 -1.320 1.00 0.00 C ATOM 360 CE LYS A 447 0.596 4.362 -2.449 1.00 0.00 C ATOM 361 NZ LYS A 447 -0.480 3.569 -3.100 1.00 0.00 N ATOM 0 H LYS A 447 1.626 0.010 1.355 1.00 0.00 H new ATOM 0 HA LYS A 447 2.729 2.419 0.415 1.00 0.00 H new ATOM 0 HB2 LYS A 447 0.500 1.212 -0.102 1.00 0.00 H new ATOM 0 HB3 LYS A 447 -0.109 1.931 1.375 1.00 0.00 H new ATOM 0 HG2 LYS A 447 -0.743 3.252 -0.596 1.00 0.00 H new ATOM 0 HG3 LYS A 447 0.268 4.180 0.494 1.00 0.00 H new ATOM 0 HD2 LYS A 447 2.103 4.147 -0.941 1.00 0.00 H new ATOM 0 HD3 LYS A 447 1.627 2.640 -1.698 1.00 0.00 H new ATOM 0 HE2 LYS A 447 0.181 5.293 -2.063 1.00 0.00 H new ATOM 0 HE3 LYS A 447 1.349 4.632 -3.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 -0.590 3.877 -4.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 -0.229 2.560 -3.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 -1.375 3.714 -2.591 1.00 0.00 H new ATOM 375 N GLY A 448 2.977 3.951 2.314 1.00 0.00 N ATOM 376 CA GLY A 448 3.159 4.839 3.443 1.00 0.00 C ATOM 377 C GLY A 448 4.554 4.744 4.025 1.00 0.00 C ATOM 378 O GLY A 448 5.036 5.687 4.657 1.00 0.00 O ATOM 0 H GLY A 448 3.566 4.154 1.506 1.00 0.00 H new ATOM 0 HA2 GLY A 448 2.966 5.865 3.131 1.00 0.00 H new ATOM 0 HA3 GLY A 448 2.428 4.598 4.215 1.00 0.00 H new ATOM 382 N LYS A 449 5.192 3.595 3.838 1.00 0.00 N ATOM 383 CA LYS A 449 6.536 3.368 4.357 1.00 0.00 C ATOM 384 C LYS A 449 7.567 4.209 3.624 1.00 0.00 C ATOM 385 O LYS A 449 7.523 4.328 2.398 1.00 0.00 O ATOM 386 CB LYS A 449 6.927 1.897 4.229 1.00 0.00 C ATOM 387 CG LYS A 449 6.122 0.967 5.109 1.00 0.00 C ATOM 388 CD LYS A 449 6.642 -0.451 5.000 1.00 0.00 C ATOM 389 CE LYS A 449 5.930 -1.381 5.961 1.00 0.00 C ATOM 390 NZ LYS A 449 6.125 -0.974 7.377 1.00 0.00 N ATOM 0 H LYS A 449 4.799 2.803 3.329 1.00 0.00 H new ATOM 0 HA LYS A 449 6.521 3.657 5.408 1.00 0.00 H new ATOM 0 HB2 LYS A 449 6.809 1.590 3.190 1.00 0.00 H new ATOM 0 HB3 LYS A 449 7.983 1.790 4.475 1.00 0.00 H new ATOM 0 HG2 LYS A 449 6.175 1.301 6.145 1.00 0.00 H new ATOM 0 HG3 LYS A 449 5.072 0.999 4.817 1.00 0.00 H new ATOM 0 HD2 LYS A 449 6.510 -0.810 3.979 1.00 0.00 H new ATOM 0 HD3 LYS A 449 7.712 -0.464 5.206 1.00 0.00 H new ATOM 0 HE2 LYS A 449 4.865 -1.394 5.731 1.00 0.00 H new ATOM 0 HE3 LYS A 449 6.298 -2.397 5.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 449 6.383 -1.806 7.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 449 6.886 -0.267 7.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 449 5.243 -0.564 7.745 1.00 0.00 H new ATOM 404 N GLY A 450 8.564 4.672 4.365 1.00 0.00 N ATOM 405 CA GLY A 450 9.698 5.323 3.754 1.00 0.00 C ATOM 406 C GLY A 450 10.642 4.304 3.152 1.00 0.00 C ATOM 407 O GLY A 450 10.416 3.097 3.284 1.00 0.00 O ATOM 0 H GLY A 450 8.605 4.606 5.382 1.00 0.00 H new ATOM 0 HA2 GLY A 450 9.355 6.010 2.980 1.00 0.00 H new ATOM 0 HA3 GLY A 450 10.226 5.919 4.499 1.00 0.00 H new ATOM 411 N GLU A 451 11.687 4.775 2.489 1.00 0.00 N ATOM 412 CA GLU A 451 12.650 3.888 1.843 1.00 0.00 C ATOM 413 C GLU A 451 13.247 2.899 2.841 1.00 0.00 C ATOM 414 O GLU A 451 13.360 1.706 2.549 1.00 0.00 O ATOM 415 CB GLU A 451 13.759 4.706 1.185 1.00 0.00 C ATOM 416 CG GLU A 451 14.904 3.866 0.640 1.00 0.00 C ATOM 417 CD GLU A 451 16.028 4.709 0.077 1.00 0.00 C ATOM 418 OE1 GLU A 451 15.811 5.393 -0.944 1.00 0.00 O ATOM 419 OE2 GLU A 451 17.130 4.703 0.662 1.00 0.00 O ATOM 0 H GLU A 451 11.893 5.768 2.382 1.00 0.00 H new ATOM 0 HA GLU A 451 12.123 3.318 1.078 1.00 0.00 H new ATOM 0 HB2 GLU A 451 13.331 5.291 0.371 1.00 0.00 H new ATOM 0 HB3 GLU A 451 14.155 5.414 1.913 1.00 0.00 H new ATOM 0 HG2 GLU A 451 15.294 3.231 1.435 1.00 0.00 H new ATOM 0 HG3 GLU A 451 14.526 3.205 -0.139 1.00 0.00 H new ATOM 426 N LYS A 452 13.615 3.396 4.016 1.00 0.00 N ATOM 427 CA LYS A 452 14.202 2.552 5.051 1.00 0.00 C ATOM 428 C LYS A 452 13.198 1.512 5.548 1.00 0.00 C ATOM 429 O LYS A 452 13.554 0.362 5.798 1.00 0.00 O ATOM 430 CB LYS A 452 14.711 3.399 6.227 1.00 0.00 C ATOM 431 CG LYS A 452 13.638 4.240 6.903 1.00 0.00 C ATOM 432 CD LYS A 452 14.166 4.921 8.155 1.00 0.00 C ATOM 433 CE LYS A 452 15.299 5.887 7.836 1.00 0.00 C ATOM 434 NZ LYS A 452 14.835 7.047 7.031 1.00 0.00 N ATOM 0 H LYS A 452 13.518 4.377 4.276 1.00 0.00 H new ATOM 0 HA LYS A 452 15.049 2.029 4.607 1.00 0.00 H new ATOM 0 HB2 LYS A 452 15.159 2.738 6.969 1.00 0.00 H new ATOM 0 HB3 LYS A 452 15.502 4.059 5.869 1.00 0.00 H new ATOM 0 HG2 LYS A 452 13.272 4.993 6.205 1.00 0.00 H new ATOM 0 HG3 LYS A 452 12.789 3.607 7.163 1.00 0.00 H new ATOM 0 HD2 LYS A 452 13.355 5.460 8.645 1.00 0.00 H new ATOM 0 HD3 LYS A 452 14.518 4.167 8.858 1.00 0.00 H new ATOM 0 HE2 LYS A 452 15.742 6.245 8.765 1.00 0.00 H new ATOM 0 HE3 LYS A 452 16.083 5.359 7.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 452 15.603 7.744 6.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 452 14.562 6.723 6.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 452 14.015 7.487 7.496 1.00 0.00 H new ATOM 448 N ASP A 453 11.949 1.929 5.709 1.00 0.00 N ATOM 449 CA ASP A 453 10.904 1.047 6.217 1.00 0.00 C ATOM 450 C ASP A 453 10.567 -0.025 5.201 1.00 0.00 C ATOM 451 O ASP A 453 10.347 -1.184 5.556 1.00 0.00 O ATOM 452 CB ASP A 453 9.639 1.840 6.540 1.00 0.00 C ATOM 453 CG ASP A 453 9.888 2.984 7.493 1.00 0.00 C ATOM 454 OD1 ASP A 453 10.390 2.739 8.609 1.00 0.00 O ATOM 455 OD2 ASP A 453 9.584 4.136 7.127 1.00 0.00 O ATOM 0 H ASP A 453 11.633 2.875 5.495 1.00 0.00 H new ATOM 0 HA ASP A 453 11.280 0.578 7.126 1.00 0.00 H new ATOM 0 HB2 ASP A 453 9.215 2.231 5.615 1.00 0.00 H new ATOM 0 HB3 ASP A 453 8.897 1.169 6.972 1.00 0.00 H new ATOM 460 N CYS A 454 10.456 0.395 3.949 1.00 0.00 N ATOM 461 CA CYS A 454 10.067 -0.490 2.864 1.00 0.00 C ATOM 462 C CYS A 454 11.071 -1.626 2.708 1.00 0.00 C ATOM 463 O CYS A 454 12.191 -1.416 2.236 1.00 0.00 O ATOM 464 CB CYS A 454 9.977 0.298 1.551 1.00 0.00 C ATOM 465 SG CYS A 454 9.041 -0.548 0.234 1.00 0.00 S ATOM 0 H CYS A 454 10.633 1.357 3.659 1.00 0.00 H new ATOM 0 HA CYS A 454 9.092 -0.914 3.102 1.00 0.00 H new ATOM 0 HB2 CYS A 454 9.510 1.263 1.751 1.00 0.00 H new ATOM 0 HB3 CYS A 454 10.986 0.500 1.192 1.00 0.00 H new ATOM 470 N LYS A 455 10.640 -2.836 3.031 1.00 0.00 N ATOM 471 CA LYS A 455 11.462 -4.013 2.808 1.00 0.00 C ATOM 472 C LYS A 455 11.305 -4.457 1.364 1.00 0.00 C ATOM 473 O LYS A 455 10.185 -4.607 0.888 1.00 0.00 O ATOM 474 CB LYS A 455 11.057 -5.154 3.747 1.00 0.00 C ATOM 475 CG LYS A 455 11.137 -4.803 5.223 1.00 0.00 C ATOM 476 CD LYS A 455 10.772 -5.996 6.089 1.00 0.00 C ATOM 477 CE LYS A 455 10.778 -5.642 7.569 1.00 0.00 C ATOM 478 NZ LYS A 455 10.452 -6.817 8.421 1.00 0.00 N ATOM 0 H LYS A 455 9.729 -3.027 3.447 1.00 0.00 H new ATOM 0 HA LYS A 455 12.502 -3.760 3.013 1.00 0.00 H new ATOM 0 HB2 LYS A 455 10.037 -5.458 3.512 1.00 0.00 H new ATOM 0 HB3 LYS A 455 11.699 -6.014 3.554 1.00 0.00 H new ATOM 0 HG2 LYS A 455 12.145 -4.468 5.466 1.00 0.00 H new ATOM 0 HG3 LYS A 455 10.464 -3.973 5.440 1.00 0.00 H new ATOM 0 HD2 LYS A 455 9.785 -6.362 5.807 1.00 0.00 H new ATOM 0 HD3 LYS A 455 11.477 -6.807 5.906 1.00 0.00 H new ATOM 0 HE2 LYS A 455 11.758 -5.254 7.846 1.00 0.00 H new ATOM 0 HE3 LYS A 455 10.056 -4.847 7.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 10.466 -6.535 9.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 9.506 -7.172 8.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 11.155 -7.566 8.263 1.00 0.00 H new ATOM 492 N SER A 456 12.414 -4.618 0.663 1.00 0.00 N ATOM 493 CA SER A 456 12.378 -4.994 -0.749 1.00 0.00 C ATOM 494 C SER A 456 11.712 -6.359 -0.979 1.00 0.00 C ATOM 495 O SER A 456 10.811 -6.463 -1.813 1.00 0.00 O ATOM 496 CB SER A 456 13.788 -4.965 -1.344 1.00 0.00 C ATOM 497 OG SER A 456 14.311 -3.646 -1.324 1.00 0.00 O ATOM 0 H SER A 456 13.352 -4.495 1.044 1.00 0.00 H new ATOM 0 HA SER A 456 11.762 -4.257 -1.264 1.00 0.00 H new ATOM 0 HB2 SER A 456 14.441 -5.630 -0.778 1.00 0.00 H new ATOM 0 HB3 SER A 456 13.764 -5.337 -2.368 1.00 0.00 H new ATOM 0 HG SER A 456 15.213 -3.646 -1.706 1.00 0.00 H new ATOM 503 N PRO A 457 12.094 -7.421 -0.232 1.00 0.00 N ATOM 504 CA PRO A 457 11.459 -8.738 -0.377 1.00 0.00 C ATOM 505 C PRO A 457 9.955 -8.678 -0.121 1.00 0.00 C ATOM 506 O PRO A 457 9.192 -9.496 -0.628 1.00 0.00 O ATOM 507 CB PRO A 457 12.146 -9.601 0.689 1.00 0.00 C ATOM 508 CG PRO A 457 12.757 -8.630 1.640 1.00 0.00 C ATOM 509 CD PRO A 457 13.131 -7.436 0.817 1.00 0.00 C ATOM 0 HA PRO A 457 11.569 -9.130 -1.388 1.00 0.00 H new ATOM 0 HB2 PRO A 457 11.429 -10.249 1.193 1.00 0.00 H new ATOM 0 HB3 PRO A 457 12.903 -10.248 0.245 1.00 0.00 H new ATOM 0 HG2 PRO A 457 12.054 -8.358 2.427 1.00 0.00 H new ATOM 0 HG3 PRO A 457 13.632 -9.058 2.128 1.00 0.00 H new ATOM 0 HD2 PRO A 457 13.122 -6.520 1.407 1.00 0.00 H new ATOM 0 HD3 PRO A 457 14.131 -7.533 0.395 1.00 0.00 H new ATOM 517 N ASP A 458 9.553 -7.723 0.710 1.00 0.00 N ATOM 518 CA ASP A 458 8.159 -7.555 1.088 1.00 0.00 C ATOM 519 C ASP A 458 7.400 -6.677 0.097 1.00 0.00 C ATOM 520 O ASP A 458 6.239 -6.942 -0.211 1.00 0.00 O ATOM 521 CB ASP A 458 8.073 -6.929 2.479 1.00 0.00 C ATOM 522 CG ASP A 458 8.160 -7.949 3.595 1.00 0.00 C ATOM 523 OD1 ASP A 458 9.132 -8.729 3.627 1.00 0.00 O ATOM 524 OD2 ASP A 458 7.263 -7.958 4.463 1.00 0.00 O ATOM 0 H ASP A 458 10.184 -7.046 1.139 1.00 0.00 H new ATOM 0 HA ASP A 458 7.699 -8.543 1.087 1.00 0.00 H new ATOM 0 HB2 ASP A 458 8.878 -6.203 2.595 1.00 0.00 H new ATOM 0 HB3 ASP A 458 7.135 -6.382 2.567 1.00 0.00 H new ATOM 529 N CYS A 459 8.010 -5.558 -0.281 1.00 0.00 N ATOM 530 CA CYS A 459 7.334 -4.554 -1.090 1.00 0.00 C ATOM 531 C CYS A 459 8.285 -3.969 -2.131 1.00 0.00 C ATOM 532 O CYS A 459 9.486 -3.843 -1.889 1.00 0.00 O ATOM 533 CB CYS A 459 6.813 -3.429 -0.195 1.00 0.00 C ATOM 534 SG CYS A 459 6.087 -3.986 1.388 1.00 0.00 S ATOM 0 H CYS A 459 8.973 -5.325 -0.039 1.00 0.00 H new ATOM 0 HA CYS A 459 6.500 -5.033 -1.603 1.00 0.00 H new ATOM 0 HB2 CYS A 459 7.633 -2.744 0.018 1.00 0.00 H new ATOM 0 HB3 CYS A 459 6.061 -2.864 -0.745 1.00 0.00 H new ATOM 539 N LYS A 460 7.746 -3.620 -3.287 1.00 0.00 N ATOM 540 CA LYS A 460 8.549 -3.064 -4.365 1.00 0.00 C ATOM 541 C LYS A 460 8.638 -1.542 -4.236 1.00 0.00 C ATOM 542 O LYS A 460 7.636 -0.838 -4.378 1.00 0.00 O ATOM 543 CB LYS A 460 7.927 -3.451 -5.709 1.00 0.00 C ATOM 544 CG LYS A 460 8.833 -3.253 -6.913 1.00 0.00 C ATOM 545 CD LYS A 460 10.041 -4.176 -6.874 1.00 0.00 C ATOM 546 CE LYS A 460 10.690 -4.304 -8.247 1.00 0.00 C ATOM 547 NZ LYS A 460 11.070 -2.988 -8.822 1.00 0.00 N ATOM 0 H LYS A 460 6.754 -3.712 -3.504 1.00 0.00 H new ATOM 0 HA LYS A 460 9.560 -3.468 -4.306 1.00 0.00 H new ATOM 0 HB2 LYS A 460 7.627 -4.498 -5.666 1.00 0.00 H new ATOM 0 HB3 LYS A 460 7.019 -2.865 -5.855 1.00 0.00 H new ATOM 0 HG2 LYS A 460 8.267 -3.435 -7.827 1.00 0.00 H new ATOM 0 HG3 LYS A 460 9.169 -2.217 -6.947 1.00 0.00 H new ATOM 0 HD2 LYS A 460 10.770 -3.793 -6.160 1.00 0.00 H new ATOM 0 HD3 LYS A 460 9.736 -5.161 -6.521 1.00 0.00 H new ATOM 0 HE2 LYS A 460 11.577 -4.932 -8.169 1.00 0.00 H new ATOM 0 HE3 LYS A 460 10.001 -4.808 -8.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 460 11.640 -3.135 -9.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 460 10.211 -2.454 -9.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 460 11.625 -2.452 -8.125 1.00 0.00 H new ATOM 561 N TRP A 461 9.834 -1.043 -3.951 1.00 0.00 N ATOM 562 CA TRP A 461 10.057 0.392 -3.824 1.00 0.00 C ATOM 563 C TRP A 461 10.288 1.003 -5.201 1.00 0.00 C ATOM 564 O TRP A 461 11.339 0.792 -5.812 1.00 0.00 O ATOM 565 CB TRP A 461 11.271 0.655 -2.925 1.00 0.00 C ATOM 566 CG TRP A 461 11.537 2.108 -2.672 1.00 0.00 C ATOM 567 CD1 TRP A 461 12.510 2.872 -3.245 1.00 0.00 C ATOM 568 CD2 TRP A 461 10.841 2.963 -1.763 1.00 0.00 C ATOM 569 NE1 TRP A 461 12.451 4.154 -2.755 1.00 0.00 N ATOM 570 CE2 TRP A 461 11.434 4.234 -1.843 1.00 0.00 C ATOM 571 CE3 TRP A 461 9.769 2.779 -0.894 1.00 0.00 C ATOM 572 CZ2 TRP A 461 10.989 5.310 -1.082 1.00 0.00 C ATOM 573 CZ3 TRP A 461 9.330 3.847 -0.142 1.00 0.00 C ATOM 574 CH2 TRP A 461 9.939 5.100 -0.241 1.00 0.00 C ATOM 0 H TRP A 461 10.667 -1.613 -3.803 1.00 0.00 H new ATOM 0 HA TRP A 461 9.177 0.851 -3.374 1.00 0.00 H new ATOM 0 HB2 TRP A 461 11.119 0.152 -1.970 1.00 0.00 H new ATOM 0 HB3 TRP A 461 12.154 0.209 -3.383 1.00 0.00 H new ATOM 0 HD1 TRP A 461 13.223 2.521 -3.977 1.00 0.00 H new ATOM 0 HE1 TRP A 461 13.065 4.921 -3.027 1.00 0.00 H new ATOM 0 HE3 TRP A 461 9.289 1.815 -0.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 461 11.460 6.279 -1.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 461 8.500 3.713 0.536 1.00 0.00 H new ATOM 0 HH2 TRP A 461 9.570 5.918 0.361 1.00 0.00 H new ATOM 585 N GLU A 462 9.308 1.735 -5.706 1.00 0.00 N ATOM 586 CA GLU A 462 9.424 2.325 -7.035 1.00 0.00 C ATOM 587 C GLU A 462 8.886 3.746 -7.053 1.00 0.00 C ATOM 588 O GLU A 462 7.772 4.005 -6.590 1.00 0.00 O ATOM 589 CB GLU A 462 8.672 1.488 -8.073 1.00 0.00 C ATOM 590 CG GLU A 462 9.062 0.020 -8.094 1.00 0.00 C ATOM 591 CD GLU A 462 8.388 -0.751 -9.211 1.00 0.00 C ATOM 592 OE1 GLU A 462 7.158 -0.629 -9.372 1.00 0.00 O ATOM 593 OE2 GLU A 462 9.083 -1.510 -9.915 1.00 0.00 O ATOM 0 H GLU A 462 8.431 1.935 -5.224 1.00 0.00 H new ATOM 0 HA GLU A 462 10.484 2.343 -7.289 1.00 0.00 H new ATOM 0 HB2 GLU A 462 7.602 1.565 -7.879 1.00 0.00 H new ATOM 0 HB3 GLU A 462 8.848 1.913 -9.061 1.00 0.00 H new ATOM 0 HG2 GLU A 462 10.143 -0.062 -8.203 1.00 0.00 H new ATOM 0 HG3 GLU A 462 8.803 -0.434 -7.138 1.00 0.00 H new ATOM 600 N GLY A 463 9.665 4.649 -7.637 1.00 0.00 N ATOM 601 CA GLY A 463 9.255 6.031 -7.775 1.00 0.00 C ATOM 602 C GLY A 463 9.018 6.708 -6.445 1.00 0.00 C ATOM 603 O GLY A 463 8.053 7.456 -6.291 1.00 0.00 O ATOM 0 H GLY A 463 10.587 4.442 -8.022 1.00 0.00 H new ATOM 0 HA2 GLY A 463 10.020 6.579 -8.325 1.00 0.00 H new ATOM 0 HA3 GLY A 463 8.342 6.077 -8.368 1.00 0.00 H new ATOM 607 N GLY A 464 9.897 6.438 -5.488 1.00 0.00 N ATOM 608 CA GLY A 464 9.779 7.027 -4.168 1.00 0.00 C ATOM 609 C GLY A 464 8.490 6.644 -3.475 1.00 0.00 C ATOM 610 O GLY A 464 7.878 7.462 -2.785 1.00 0.00 O ATOM 0 H GLY A 464 10.697 5.816 -5.605 1.00 0.00 H new ATOM 0 HA2 GLY A 464 10.624 6.711 -3.556 1.00 0.00 H new ATOM 0 HA3 GLY A 464 9.834 8.112 -4.252 1.00 0.00 H new ATOM 614 N THR A 465 8.050 5.416 -3.685 1.00 0.00 N ATOM 615 CA THR A 465 6.807 4.942 -3.114 1.00 0.00 C ATOM 616 C THR A 465 6.875 3.442 -2.858 1.00 0.00 C ATOM 617 O THR A 465 7.249 2.666 -3.743 1.00 0.00 O ATOM 618 CB THR A 465 5.627 5.247 -4.047 1.00 0.00 C ATOM 619 OG1 THR A 465 5.546 6.657 -4.301 1.00 0.00 O ATOM 620 CG2 THR A 465 4.319 4.757 -3.452 1.00 0.00 C ATOM 0 H THR A 465 8.542 4.726 -4.252 1.00 0.00 H new ATOM 0 HA THR A 465 6.655 5.462 -2.168 1.00 0.00 H new ATOM 0 HB THR A 465 5.797 4.721 -4.986 1.00 0.00 H new ATOM 0 HG1 THR A 465 4.791 6.839 -4.898 1.00 0.00 H new ATOM 0 HG21 THR A 465 3.500 4.986 -4.134 1.00 0.00 H new ATOM 0 HG22 THR A 465 4.371 3.679 -3.297 1.00 0.00 H new ATOM 0 HG23 THR A 465 4.145 5.253 -2.497 1.00 0.00 H new ATOM 628 N CYS A 466 6.527 3.042 -1.645 1.00 0.00 N ATOM 629 CA CYS A 466 6.510 1.639 -1.276 1.00 0.00 C ATOM 630 C CYS A 466 5.156 1.048 -1.630 1.00 0.00 C ATOM 631 O CYS A 466 4.123 1.636 -1.311 1.00 0.00 O ATOM 632 CB CYS A 466 6.787 1.480 0.219 1.00 0.00 C ATOM 633 SG CYS A 466 7.104 -0.233 0.749 1.00 0.00 S ATOM 0 H CYS A 466 6.251 3.676 -0.896 1.00 0.00 H new ATOM 0 HA CYS A 466 7.290 1.110 -1.824 1.00 0.00 H new ATOM 0 HB2 CYS A 466 7.648 2.094 0.484 1.00 0.00 H new ATOM 0 HB3 CYS A 466 5.935 1.868 0.777 1.00 0.00 H new ATOM 638 N LYS A 467 5.152 -0.040 -2.385 1.00 0.00 N ATOM 639 CA LYS A 467 3.900 -0.596 -2.867 1.00 0.00 C ATOM 640 C LYS A 467 3.985 -2.099 -3.081 1.00 0.00 C ATOM 641 O LYS A 467 4.987 -2.626 -3.572 1.00 0.00 O ATOM 642 CB LYS A 467 3.477 0.101 -4.160 1.00 0.00 C ATOM 643 CG LYS A 467 4.561 0.156 -5.221 1.00 0.00 C ATOM 644 CD LYS A 467 4.065 0.852 -6.475 1.00 0.00 C ATOM 645 CE LYS A 467 5.173 1.006 -7.500 1.00 0.00 C ATOM 646 NZ LYS A 467 4.677 1.573 -8.780 1.00 0.00 N ATOM 0 H LYS A 467 5.988 -0.548 -2.673 1.00 0.00 H new ATOM 0 HA LYS A 467 3.147 -0.420 -2.098 1.00 0.00 H new ATOM 0 HB2 LYS A 467 2.609 -0.415 -4.570 1.00 0.00 H new ATOM 0 HB3 LYS A 467 3.162 1.118 -3.925 1.00 0.00 H new ATOM 0 HG2 LYS A 467 5.431 0.683 -4.829 1.00 0.00 H new ATOM 0 HG3 LYS A 467 4.885 -0.855 -5.467 1.00 0.00 H new ATOM 0 HD2 LYS A 467 3.244 0.281 -6.908 1.00 0.00 H new ATOM 0 HD3 LYS A 467 3.669 1.834 -6.215 1.00 0.00 H new ATOM 0 HE2 LYS A 467 5.952 1.652 -7.096 1.00 0.00 H new ATOM 0 HE3 LYS A 467 5.630 0.034 -7.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 467 5.467 1.661 -9.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 467 3.952 0.944 -9.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 467 4.264 2.512 -8.607 1.00 0.00 H new ATOM 660 N ASP A 468 2.892 -2.765 -2.758 1.00 0.00 N ATOM 661 CA ASP A 468 2.756 -4.195 -2.978 1.00 0.00 C ATOM 662 C ASP A 468 2.165 -4.441 -4.357 1.00 0.00 C ATOM 663 O ASP A 468 2.732 -5.245 -5.124 1.00 0.00 O ATOM 664 CB ASP A 468 1.859 -4.807 -1.899 1.00 0.00 C ATOM 665 CG ASP A 468 1.509 -6.255 -2.177 1.00 0.00 C ATOM 666 OD1 ASP A 468 2.434 -7.088 -2.282 1.00 0.00 O ATOM 667 OD2 ASP A 468 0.302 -6.570 -2.263 1.00 0.00 O ATOM 668 OXT ASP A 468 1.146 -3.795 -4.683 1.00 0.00 O ATOM 0 H ASP A 468 2.072 -2.330 -2.335 1.00 0.00 H new ATOM 0 HA ASP A 468 3.738 -4.666 -2.921 1.00 0.00 H new ATOM 0 HB2 ASP A 468 2.361 -4.738 -0.934 1.00 0.00 H new ATOM 0 HB3 ASP A 468 0.941 -4.224 -1.823 1.00 0.00 H new TER 673 ASP A 468