USER MOD reduce.3.24.130724 H: found=0, std=0, add=329, rem=0, adj=16 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 Set 1.1: A 447 LYS NZ :NH3+ -174:sc= 1.23 (180deg=-0.0118) USER MOD Set 1.2: A 465 THR OG1 : rot 100:sc= 1.1 USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 423 LYS NZ :NH3+ -159:sc= 1.26 (180deg=0.808) USER MOD Single : A 425 SER OG : rot 180:sc= 0 USER MOD Single : A 426 LYS NZ :NH3+ 157:sc= -0.121 (180deg=-0.581) 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= -0.31! X(o=-0.31!,f=-0.21) USER MOD Single : A 434 THR OG1 : rot 93:sc= 0.987 USER MOD Single : A 435 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 441 THR OG1 : rot 180:sc= 0 USER MOD Single : A 442 THR OG1 : rot 170:sc= 0.231 USER MOD Single : A 445 LYS NZ :NH3+ -162:sc= -0.118 (180deg=-0.405) USER MOD Single : A 449 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 452 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 455 LYS NZ :NH3+ -161:sc= 1.24 (180deg=0.87) USER MOD Single : A 456 SER OG : rot 180:sc= 0 USER MOD Single : A 460 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 467 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 421 -34.508 13.764 -9.729 1.00 0.00 N ATOM 2 CA GLY A 421 -34.836 13.971 -8.294 1.00 0.00 C ATOM 3 C GLY A 421 -34.560 12.736 -7.462 1.00 0.00 C ATOM 4 O GLY A 421 -33.748 12.771 -6.536 1.00 0.00 O ATOM 0 HA2 GLY A 421 -34.253 14.806 -7.906 1.00 0.00 H new ATOM 0 HA3 GLY A 421 -35.887 14.244 -8.199 1.00 0.00 H new ATOM 10 N THR A 422 -35.201 11.634 -7.817 1.00 0.00 N ATOM 11 CA THR A 422 -34.992 10.368 -7.131 1.00 0.00 C ATOM 12 C THR A 422 -33.566 9.865 -7.357 1.00 0.00 C ATOM 13 O THR A 422 -33.092 9.819 -8.491 1.00 0.00 O ATOM 14 CB THR A 422 -35.994 9.310 -7.630 1.00 0.00 C ATOM 15 OG1 THR A 422 -37.325 9.844 -7.593 1.00 0.00 O ATOM 16 CG2 THR A 422 -35.927 8.053 -6.777 1.00 0.00 C ATOM 0 H THR A 422 -35.875 11.591 -8.581 1.00 0.00 H new ATOM 0 HA THR A 422 -35.149 10.533 -6.065 1.00 0.00 H new ATOM 0 HB THR A 422 -35.732 9.048 -8.655 1.00 0.00 H new ATOM 0 HG1 THR A 422 -37.958 9.168 -7.913 1.00 0.00 H new ATOM 0 HG21 THR A 422 -36.644 7.322 -7.150 1.00 0.00 H new ATOM 0 HG22 THR A 422 -34.922 7.633 -6.826 1.00 0.00 H new ATOM 0 HG23 THR A 422 -36.167 8.302 -5.743 1.00 0.00 H new ATOM 24 N LYS A 423 -32.869 9.535 -6.274 1.00 0.00 N ATOM 25 CA LYS A 423 -31.491 9.075 -6.373 1.00 0.00 C ATOM 26 C LYS A 423 -31.426 7.697 -7.024 1.00 0.00 C ATOM 27 O LYS A 423 -30.538 7.427 -7.835 1.00 0.00 O ATOM 28 CB LYS A 423 -30.828 9.040 -4.992 1.00 0.00 C ATOM 29 CG LYS A 423 -29.354 8.635 -5.010 1.00 0.00 C ATOM 30 CD LYS A 423 -28.435 9.768 -5.472 1.00 0.00 C ATOM 31 CE LYS A 423 -28.579 10.074 -6.959 1.00 0.00 C ATOM 32 NZ LYS A 423 -28.269 8.892 -7.810 1.00 0.00 N ATOM 0 H LYS A 423 -33.235 9.578 -5.323 1.00 0.00 H new ATOM 0 HA LYS A 423 -30.946 9.781 -7.000 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -30.916 10.026 -4.535 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -31.376 8.344 -4.357 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -29.057 8.316 -4.011 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -29.225 7.777 -5.670 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -28.657 10.667 -4.897 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -27.400 9.500 -5.259 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -29.596 10.409 -7.162 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -27.914 10.895 -7.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -28.031 9.209 -8.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -27.462 8.375 -7.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -29.098 8.265 -7.848 1.00 0.00 H new ATOM 46 N ALA A 424 -32.365 6.835 -6.647 1.00 0.00 N ATOM 47 CA ALA A 424 -32.441 5.471 -7.165 1.00 0.00 C ATOM 48 C ALA A 424 -31.210 4.657 -6.767 1.00 0.00 C ATOM 49 O ALA A 424 -30.665 4.846 -5.675 1.00 0.00 O ATOM 50 CB ALA A 424 -32.632 5.476 -8.678 1.00 0.00 C ATOM 0 H ALA A 424 -33.096 7.062 -5.973 1.00 0.00 H new ATOM 0 HA ALA A 424 -33.311 4.991 -6.717 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -32.686 4.450 -9.041 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -33.556 5.998 -8.926 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -31.791 5.984 -9.149 1.00 0.00 H new ATOM 56 N SER A 425 -30.816 3.716 -7.628 1.00 0.00 N ATOM 57 CA SER A 425 -29.707 2.809 -7.345 1.00 0.00 C ATOM 58 C SER A 425 -29.961 2.058 -6.040 1.00 0.00 C ATOM 59 O SER A 425 -29.070 1.905 -5.205 1.00 0.00 O ATOM 60 CB SER A 425 -28.388 3.583 -7.286 1.00 0.00 C ATOM 61 OG SER A 425 -28.203 4.353 -8.465 1.00 0.00 O ATOM 0 H SER A 425 -31.256 3.564 -8.536 1.00 0.00 H new ATOM 0 HA SER A 425 -29.633 2.078 -8.150 1.00 0.00 H new ATOM 0 HB2 SER A 425 -28.384 4.237 -6.414 1.00 0.00 H new ATOM 0 HB3 SER A 425 -27.558 2.887 -7.166 1.00 0.00 H new ATOM 0 HG SER A 425 -27.355 4.841 -8.407 1.00 0.00 H new ATOM 67 N LYS A 426 -31.210 1.648 -5.851 1.00 0.00 N ATOM 68 CA LYS A 426 -31.620 0.972 -4.636 1.00 0.00 C ATOM 69 C LYS A 426 -31.137 -0.469 -4.644 1.00 0.00 C ATOM 70 O LYS A 426 -31.252 -1.164 -5.657 1.00 0.00 O ATOM 71 CB LYS A 426 -33.141 1.018 -4.490 1.00 0.00 C ATOM 72 CG LYS A 426 -33.621 0.806 -3.065 1.00 0.00 C ATOM 73 CD LYS A 426 -35.132 0.916 -2.964 1.00 0.00 C ATOM 74 CE LYS A 426 -35.583 1.090 -1.522 1.00 0.00 C ATOM 75 NZ LYS A 426 -35.074 2.360 -0.940 1.00 0.00 N ATOM 0 H LYS A 426 -31.958 1.776 -6.532 1.00 0.00 H new ATOM 0 HA LYS A 426 -31.172 1.486 -3.786 1.00 0.00 H new ATOM 0 HB2 LYS A 426 -33.503 1.982 -4.847 1.00 0.00 H new ATOM 0 HB3 LYS A 426 -33.583 0.255 -5.131 1.00 0.00 H new ATOM 0 HG2 LYS A 426 -33.303 -0.176 -2.715 1.00 0.00 H new ATOM 0 HG3 LYS A 426 -33.157 1.544 -2.410 1.00 0.00 H new ATOM 0 HD2 LYS A 426 -35.477 1.762 -3.559 1.00 0.00 H new ATOM 0 HD3 LYS A 426 -35.592 0.022 -3.385 1.00 0.00 H new ATOM 0 HE2 LYS A 426 -36.672 1.079 -1.477 1.00 0.00 H new ATOM 0 HE3 LYS A 426 -35.230 0.248 -0.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 426 -35.680 2.645 -0.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 426 -34.100 2.221 -0.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 426 -35.085 3.104 -1.667 1.00 0.00 H new ATOM 89 N SER A 427 -30.559 -0.892 -3.526 1.00 0.00 N ATOM 90 CA SER A 427 -30.010 -2.234 -3.383 1.00 0.00 C ATOM 91 C SER A 427 -28.926 -2.496 -4.429 1.00 0.00 C ATOM 92 O SER A 427 -28.815 -3.604 -4.955 1.00 0.00 O ATOM 93 CB SER A 427 -31.123 -3.281 -3.507 1.00 0.00 C ATOM 94 OG SER A 427 -32.206 -2.986 -2.635 1.00 0.00 O ATOM 0 H SER A 427 -30.458 -0.313 -2.692 1.00 0.00 H new ATOM 0 HA SER A 427 -29.559 -2.311 -2.394 1.00 0.00 H new ATOM 0 HB2 SER A 427 -31.480 -3.315 -4.536 1.00 0.00 H new ATOM 0 HB3 SER A 427 -30.724 -4.269 -3.275 1.00 0.00 H new ATOM 0 HG SER A 427 -32.902 -3.668 -2.736 1.00 0.00 H new ATOM 100 N GLY A 428 -28.156 -1.465 -4.757 1.00 0.00 N ATOM 101 CA GLY A 428 -27.123 -1.615 -5.760 1.00 0.00 C ATOM 102 C GLY A 428 -26.434 -0.312 -6.093 1.00 0.00 C ATOM 103 O GLY A 428 -26.165 -0.025 -7.263 1.00 0.00 O ATOM 0 H GLY A 428 -28.229 -0.533 -4.348 1.00 0.00 H new ATOM 0 HA2 GLY A 428 -26.382 -2.332 -5.407 1.00 0.00 H new ATOM 0 HA3 GLY A 428 -27.562 -2.030 -6.667 1.00 0.00 H new ATOM 107 N VAL A 429 -26.097 0.458 -5.068 1.00 0.00 N ATOM 108 CA VAL A 429 -25.369 1.704 -5.265 1.00 0.00 C ATOM 109 C VAL A 429 -23.937 1.408 -5.721 1.00 0.00 C ATOM 110 O VAL A 429 -23.287 0.502 -5.190 1.00 0.00 O ATOM 111 CB VAL A 429 -25.361 2.567 -3.977 1.00 0.00 C ATOM 112 CG1 VAL A 429 -24.704 1.826 -2.825 1.00 0.00 C ATOM 113 CG2 VAL A 429 -24.672 3.903 -4.208 1.00 0.00 C ATOM 0 H VAL A 429 -26.315 0.243 -4.095 1.00 0.00 H new ATOM 0 HA VAL A 429 -25.880 2.275 -6.040 1.00 0.00 H new ATOM 0 HB VAL A 429 -26.400 2.763 -3.712 1.00 0.00 H new ATOM 0 HG11 VAL A 429 -24.713 2.456 -1.935 1.00 0.00 H new ATOM 0 HG12 VAL A 429 -25.253 0.906 -2.624 1.00 0.00 H new ATOM 0 HG13 VAL A 429 -23.674 1.584 -3.088 1.00 0.00 H new ATOM 0 HG21 VAL A 429 -24.684 4.483 -3.285 1.00 0.00 H new ATOM 0 HG22 VAL A 429 -23.640 3.732 -4.516 1.00 0.00 H new ATOM 0 HG23 VAL A 429 -25.197 4.453 -4.989 1.00 0.00 H new ATOM 123 N PRO A 430 -23.466 2.088 -6.784 1.00 0.00 N ATOM 124 CA PRO A 430 -22.138 1.843 -7.357 1.00 0.00 C ATOM 125 C PRO A 430 -21.032 1.972 -6.315 1.00 0.00 C ATOM 126 O PRO A 430 -20.282 1.024 -6.074 1.00 0.00 O ATOM 127 CB PRO A 430 -22.000 2.930 -8.422 1.00 0.00 C ATOM 128 CG PRO A 430 -23.399 3.269 -8.800 1.00 0.00 C ATOM 129 CD PRO A 430 -24.221 3.094 -7.553 1.00 0.00 C ATOM 0 HA PRO A 430 -22.044 0.832 -7.753 1.00 0.00 H new ATOM 0 HB2 PRO A 430 -21.473 3.801 -8.033 1.00 0.00 H new ATOM 0 HB3 PRO A 430 -21.433 2.572 -9.282 1.00 0.00 H new ATOM 0 HG2 PRO A 430 -23.466 4.292 -9.171 1.00 0.00 H new ATOM 0 HG3 PRO A 430 -23.756 2.617 -9.597 1.00 0.00 H new ATOM 0 HD2 PRO A 430 -24.320 4.029 -7.002 1.00 0.00 H new ATOM 0 HD3 PRO A 430 -25.230 2.751 -7.782 1.00 0.00 H new ATOM 137 N VAL A 431 -21.021 3.096 -5.609 1.00 0.00 N ATOM 138 CA VAL A 431 -20.088 3.297 -4.507 1.00 0.00 C ATOM 139 C VAL A 431 -20.654 2.678 -3.232 1.00 0.00 C ATOM 140 O VAL A 431 -21.048 3.383 -2.299 1.00 0.00 O ATOM 141 CB VAL A 431 -19.784 4.796 -4.273 1.00 0.00 C ATOM 142 CG1 VAL A 431 -18.653 4.975 -3.267 1.00 0.00 C ATOM 143 CG2 VAL A 431 -19.444 5.484 -5.585 1.00 0.00 C ATOM 0 H VAL A 431 -21.648 3.882 -5.780 1.00 0.00 H new ATOM 0 HA VAL A 431 -19.151 2.808 -4.773 1.00 0.00 H new ATOM 0 HB VAL A 431 -20.680 5.260 -3.860 1.00 0.00 H new ATOM 0 HG11 VAL A 431 -18.460 6.038 -3.122 1.00 0.00 H new ATOM 0 HG12 VAL A 431 -18.937 4.524 -2.316 1.00 0.00 H new ATOM 0 HG13 VAL A 431 -17.752 4.491 -3.643 1.00 0.00 H new ATOM 0 HG21 VAL A 431 -19.233 6.537 -5.400 1.00 0.00 H new ATOM 0 HG22 VAL A 431 -18.567 5.011 -6.027 1.00 0.00 H new ATOM 0 HG23 VAL A 431 -20.287 5.398 -6.270 1.00 0.00 H new ATOM 153 N THR A 432 -20.825 1.369 -3.258 1.00 0.00 N ATOM 154 CA THR A 432 -21.435 0.653 -2.151 1.00 0.00 C ATOM 155 C THR A 432 -20.498 0.618 -0.943 1.00 0.00 C ATOM 156 O THR A 432 -20.943 0.692 0.202 1.00 0.00 O ATOM 157 CB THR A 432 -21.847 -0.782 -2.563 1.00 0.00 C ATOM 158 OG1 THR A 432 -22.483 -1.454 -1.468 1.00 0.00 O ATOM 159 CG2 THR A 432 -20.650 -1.596 -3.035 1.00 0.00 C ATOM 0 H THR A 432 -20.548 0.776 -4.040 1.00 0.00 H new ATOM 0 HA THR A 432 -22.340 1.192 -1.870 1.00 0.00 H new ATOM 0 HB THR A 432 -22.548 -0.693 -3.393 1.00 0.00 H new ATOM 0 HG1 THR A 432 -22.739 -2.359 -1.744 1.00 0.00 H new ATOM 0 HG21 THR A 432 -20.978 -2.597 -3.315 1.00 0.00 H new ATOM 0 HG22 THR A 432 -20.196 -1.108 -3.897 1.00 0.00 H new ATOM 0 HG23 THR A 432 -19.918 -1.667 -2.231 1.00 0.00 H new ATOM 167 N GLN A 433 -19.199 0.546 -1.201 1.00 0.00 N ATOM 168 CA GLN A 433 -18.212 0.537 -0.135 1.00 0.00 C ATOM 169 C GLN A 433 -17.566 1.906 0.020 1.00 0.00 C ATOM 170 O GLN A 433 -17.422 2.646 -0.953 1.00 0.00 O ATOM 171 CB GLN A 433 -17.141 -0.515 -0.405 1.00 0.00 C ATOM 172 CG GLN A 433 -17.678 -1.936 -0.444 1.00 0.00 C ATOM 173 CD GLN A 433 -16.582 -2.973 -0.592 1.00 0.00 C ATOM 174 OE1 GLN A 433 -16.852 -4.169 -0.677 1.00 0.00 O ATOM 175 NE2 GLN A 433 -15.338 -2.526 -0.628 1.00 0.00 N ATOM 0 H GLN A 433 -18.806 0.493 -2.141 1.00 0.00 H new ATOM 0 HA GLN A 433 -18.726 0.289 0.794 1.00 0.00 H new ATOM 0 HB2 GLN A 433 -16.657 -0.292 -1.356 1.00 0.00 H new ATOM 0 HB3 GLN A 433 -16.374 -0.447 0.367 1.00 0.00 H new ATOM 0 HG2 GLN A 433 -18.238 -2.133 0.470 1.00 0.00 H new ATOM 0 HG3 GLN A 433 -18.378 -2.033 -1.274 1.00 0.00 H new ATOM 0 HE21 GLN A 433 -15.153 -1.526 -0.554 1.00 0.00 H new ATOM 0 HE22 GLN A 433 -14.563 -3.182 -0.729 1.00 0.00 H new ATOM 184 N THR A 434 -17.142 2.215 1.234 1.00 0.00 N ATOM 185 CA THR A 434 -16.446 3.460 1.506 1.00 0.00 C ATOM 186 C THR A 434 -14.980 3.355 1.097 1.00 0.00 C ATOM 187 O THR A 434 -14.367 2.292 1.223 1.00 0.00 O ATOM 188 CB THR A 434 -16.544 3.838 2.996 1.00 0.00 C ATOM 189 OG1 THR A 434 -16.229 2.704 3.817 1.00 0.00 O ATOM 190 CG2 THR A 434 -17.937 4.349 3.337 1.00 0.00 C ATOM 0 H THR A 434 -17.269 1.617 2.050 1.00 0.00 H new ATOM 0 HA THR A 434 -16.926 4.242 0.918 1.00 0.00 H new ATOM 0 HB THR A 434 -15.825 4.634 3.191 1.00 0.00 H new ATOM 0 HG1 THR A 434 -15.276 2.720 4.045 1.00 0.00 H new ATOM 0 HG21 THR A 434 -17.980 4.609 4.395 1.00 0.00 H new ATOM 0 HG22 THR A 434 -18.158 5.232 2.737 1.00 0.00 H new ATOM 0 HG23 THR A 434 -18.672 3.572 3.124 1.00 0.00 H new ATOM 198 N GLN A 435 -14.436 4.443 0.565 1.00 0.00 N ATOM 199 CA GLN A 435 -13.043 4.472 0.130 1.00 0.00 C ATOM 200 C GLN A 435 -12.107 4.233 1.315 1.00 0.00 C ATOM 201 O GLN A 435 -11.120 3.500 1.208 1.00 0.00 O ATOM 202 CB GLN A 435 -12.716 5.805 -0.557 1.00 0.00 C ATOM 203 CG GLN A 435 -13.005 7.031 0.295 1.00 0.00 C ATOM 204 CD GLN A 435 -12.757 8.337 -0.436 1.00 0.00 C ATOM 205 OE1 GLN A 435 -12.337 8.251 -1.688 1.00 0.00 O flip ATOM 206 NE2 GLN A 435 -12.956 9.417 0.121 1.00 0.00 N flip ATOM 0 H GLN A 435 -14.939 5.319 0.424 1.00 0.00 H new ATOM 0 HA GLN A 435 -12.894 3.671 -0.594 1.00 0.00 H new ATOM 0 HB2 GLN A 435 -11.662 5.809 -0.835 1.00 0.00 H new ATOM 0 HB3 GLN A 435 -13.289 5.875 -1.481 1.00 0.00 H new ATOM 0 HG2 GLN A 435 -14.043 6.999 0.627 1.00 0.00 H new ATOM 0 HG3 GLN A 435 -12.383 6.999 1.190 1.00 0.00 H new ATOM 0 HE21 GLN A 435 -13.280 9.440 1.088 1.00 0.00 H new ATOM 0 HE22 GLN A 435 -12.797 10.289 -0.385 1.00 0.00 H new ATOM 215 N THR A 436 -12.473 4.784 2.463 1.00 0.00 N ATOM 216 CA THR A 436 -11.742 4.552 3.692 1.00 0.00 C ATOM 217 C THR A 436 -12.259 3.285 4.374 1.00 0.00 C ATOM 218 O THR A 436 -13.461 2.999 4.323 1.00 0.00 O ATOM 219 CB THR A 436 -11.872 5.757 4.642 1.00 0.00 C ATOM 220 OG1 THR A 436 -11.535 6.964 3.940 1.00 0.00 O ATOM 221 CG2 THR A 436 -10.962 5.605 5.852 1.00 0.00 C ATOM 0 H THR A 436 -13.280 5.400 2.565 1.00 0.00 H new ATOM 0 HA THR A 436 -10.688 4.422 3.448 1.00 0.00 H new ATOM 0 HB THR A 436 -12.903 5.804 4.991 1.00 0.00 H new ATOM 0 HG1 THR A 436 -11.620 7.729 4.546 1.00 0.00 H new ATOM 0 HG21 THR A 436 -11.076 6.471 6.504 1.00 0.00 H new ATOM 0 HG22 THR A 436 -11.231 4.701 6.399 1.00 0.00 H new ATOM 0 HG23 THR A 436 -9.926 5.534 5.521 1.00 0.00 H new ATOM 229 N ALA A 437 -11.334 2.488 4.912 1.00 0.00 N ATOM 230 CA ALA A 437 -11.659 1.205 5.534 1.00 0.00 C ATOM 231 C ALA A 437 -12.195 0.225 4.497 1.00 0.00 C ATOM 232 O ALA A 437 -13.140 -0.526 4.756 1.00 0.00 O ATOM 233 CB ALA A 437 -12.648 1.383 6.680 1.00 0.00 C ATOM 0 H ALA A 437 -10.340 2.714 4.928 1.00 0.00 H new ATOM 0 HA ALA A 437 -10.741 0.791 5.951 1.00 0.00 H new ATOM 0 HB1 ALA A 437 -12.870 0.412 7.123 1.00 0.00 H new ATOM 0 HB2 ALA A 437 -12.214 2.036 7.437 1.00 0.00 H new ATOM 0 HB3 ALA A 437 -13.568 1.828 6.301 1.00 0.00 H new ATOM 239 N GLY A 438 -11.566 0.227 3.330 1.00 0.00 N ATOM 240 CA GLY A 438 -11.949 -0.681 2.273 1.00 0.00 C ATOM 241 C GLY A 438 -11.307 -2.042 2.440 1.00 0.00 C ATOM 242 O GLY A 438 -11.976 -3.065 2.299 1.00 0.00 O ATOM 0 H GLY A 438 -10.791 0.848 3.097 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -13.034 -0.790 2.263 1.00 0.00 H new ATOM 0 HA3 GLY A 438 -11.662 -0.259 1.310 1.00 0.00 H new ATOM 246 N ALA A 439 -10.000 -2.037 2.737 1.00 0.00 N ATOM 247 CA ALA A 439 -9.211 -3.260 2.960 1.00 0.00 C ATOM 248 C ALA A 439 -8.976 -4.055 1.670 1.00 0.00 C ATOM 249 O ALA A 439 -7.958 -4.736 1.538 1.00 0.00 O ATOM 250 CB ALA A 439 -9.852 -4.137 4.029 1.00 0.00 C ATOM 0 H ALA A 439 -9.456 -1.179 2.830 1.00 0.00 H new ATOM 0 HA ALA A 439 -8.232 -2.939 3.315 1.00 0.00 H new ATOM 0 HB1 ALA A 439 -9.249 -5.033 4.174 1.00 0.00 H new ATOM 0 HB2 ALA A 439 -9.911 -3.584 4.966 1.00 0.00 H new ATOM 0 HB3 ALA A 439 -10.855 -4.422 3.712 1.00 0.00 H new ATOM 256 N ASP A 440 -9.940 -4.016 0.757 1.00 0.00 N ATOM 257 CA ASP A 440 -9.853 -4.755 -0.500 1.00 0.00 C ATOM 258 C ASP A 440 -8.622 -4.343 -1.291 1.00 0.00 C ATOM 259 O ASP A 440 -8.284 -3.155 -1.350 1.00 0.00 O ATOM 260 CB ASP A 440 -11.098 -4.526 -1.356 1.00 0.00 C ATOM 261 CG ASP A 440 -12.365 -4.986 -0.675 1.00 0.00 C ATOM 262 OD1 ASP A 440 -12.499 -6.196 -0.402 1.00 0.00 O ATOM 263 OD2 ASP A 440 -13.236 -4.135 -0.405 1.00 0.00 O ATOM 0 H ASP A 440 -10.798 -3.476 0.864 1.00 0.00 H new ATOM 0 HA ASP A 440 -9.779 -5.813 -0.249 1.00 0.00 H new ATOM 0 HB2 ASP A 440 -11.182 -3.465 -1.592 1.00 0.00 H new ATOM 0 HB3 ASP A 440 -10.986 -5.055 -2.302 1.00 0.00 H new ATOM 268 N THR A 441 -7.942 -5.331 -1.864 1.00 0.00 N ATOM 269 CA THR A 441 -6.719 -5.100 -2.625 1.00 0.00 C ATOM 270 C THR A 441 -5.649 -4.480 -1.725 1.00 0.00 C ATOM 271 O THR A 441 -4.897 -3.600 -2.146 1.00 0.00 O ATOM 272 CB THR A 441 -6.972 -4.183 -3.844 1.00 0.00 C ATOM 273 OG1 THR A 441 -8.262 -4.461 -4.414 1.00 0.00 O ATOM 274 CG2 THR A 441 -5.904 -4.386 -4.913 1.00 0.00 C ATOM 0 H THR A 441 -8.222 -6.311 -1.814 1.00 0.00 H new ATOM 0 HA THR A 441 -6.372 -6.065 -2.995 1.00 0.00 H new ATOM 0 HB THR A 441 -6.935 -3.150 -3.497 1.00 0.00 H new ATOM 0 HG1 THR A 441 -8.413 -3.874 -5.184 1.00 0.00 H new ATOM 0 HG21 THR A 441 -6.106 -3.729 -5.759 1.00 0.00 H new ATOM 0 HG22 THR A 441 -4.924 -4.151 -4.497 1.00 0.00 H new ATOM 0 HG23 THR A 441 -5.917 -5.423 -5.248 1.00 0.00 H new ATOM 282 N THR A 442 -5.608 -4.952 -0.479 1.00 0.00 N ATOM 283 CA THR A 442 -4.670 -4.464 0.526 1.00 0.00 C ATOM 284 C THR A 442 -5.000 -3.031 0.948 1.00 0.00 C ATOM 285 O THR A 442 -5.148 -2.134 0.116 1.00 0.00 O ATOM 286 CB THR A 442 -3.217 -4.540 0.020 1.00 0.00 C ATOM 287 OG1 THR A 442 -2.952 -5.861 -0.455 1.00 0.00 O ATOM 288 CG2 THR A 442 -2.225 -4.189 1.116 1.00 0.00 C ATOM 0 H THR A 442 -6.228 -5.687 -0.139 1.00 0.00 H new ATOM 0 HA THR A 442 -4.769 -5.113 1.396 1.00 0.00 H new ATOM 0 HB THR A 442 -3.099 -3.816 -0.786 1.00 0.00 H new ATOM 0 HG1 THR A 442 -2.089 -5.875 -0.919 1.00 0.00 H new ATOM 0 HG21 THR A 442 -1.210 -4.253 0.723 1.00 0.00 H new ATOM 0 HG22 THR A 442 -2.415 -3.175 1.467 1.00 0.00 H new ATOM 0 HG23 THR A 442 -2.337 -4.887 1.946 1.00 0.00 H new ATOM 296 N ALA A 443 -5.111 -2.817 2.251 1.00 0.00 N ATOM 297 CA ALA A 443 -5.411 -1.501 2.787 1.00 0.00 C ATOM 298 C ALA A 443 -4.151 -0.641 2.886 1.00 0.00 C ATOM 299 O ALA A 443 -3.921 0.018 3.903 1.00 0.00 O ATOM 300 CB ALA A 443 -6.083 -1.628 4.143 1.00 0.00 C ATOM 0 H ALA A 443 -4.997 -3.543 2.958 1.00 0.00 H new ATOM 0 HA ALA A 443 -6.097 -1.003 2.101 1.00 0.00 H new ATOM 0 HB1 ALA A 443 -6.303 -0.635 4.535 1.00 0.00 H new ATOM 0 HB2 ALA A 443 -7.011 -2.190 4.038 1.00 0.00 H new ATOM 0 HB3 ALA A 443 -5.418 -2.150 4.831 1.00 0.00 H new ATOM 306 N GLU A 444 -3.368 -0.626 1.806 1.00 0.00 N ATOM 307 CA GLU A 444 -2.155 0.189 1.719 1.00 0.00 C ATOM 308 C GLU A 444 -1.193 -0.109 2.867 1.00 0.00 C ATOM 309 O GLU A 444 -0.779 0.787 3.600 1.00 0.00 O ATOM 310 CB GLU A 444 -2.511 1.678 1.676 1.00 0.00 C ATOM 311 CG GLU A 444 -2.808 2.198 0.275 1.00 0.00 C ATOM 312 CD GLU A 444 -3.859 1.388 -0.462 1.00 0.00 C ATOM 313 OE1 GLU A 444 -5.035 1.390 -0.038 1.00 0.00 O ATOM 314 OE2 GLU A 444 -3.509 0.740 -1.471 1.00 0.00 O ATOM 0 H GLU A 444 -3.556 -1.177 0.969 1.00 0.00 H new ATOM 0 HA GLU A 444 -1.645 -0.072 0.792 1.00 0.00 H new ATOM 0 HB2 GLU A 444 -3.380 1.853 2.310 1.00 0.00 H new ATOM 0 HB3 GLU A 444 -1.687 2.252 2.099 1.00 0.00 H new ATOM 0 HG2 GLU A 444 -3.141 3.234 0.344 1.00 0.00 H new ATOM 0 HG3 GLU A 444 -1.886 2.198 -0.307 1.00 0.00 H new ATOM 321 N LYS A 445 -0.834 -1.376 3.000 1.00 0.00 N ATOM 322 CA LYS A 445 0.088 -1.811 4.044 1.00 0.00 C ATOM 323 C LYS A 445 1.512 -1.407 3.698 1.00 0.00 C ATOM 324 O LYS A 445 2.245 -0.884 4.539 1.00 0.00 O ATOM 325 CB LYS A 445 0.004 -3.327 4.226 1.00 0.00 C ATOM 326 CG LYS A 445 -1.395 -3.824 4.553 1.00 0.00 C ATOM 327 CD LYS A 445 -1.838 -3.404 5.945 1.00 0.00 C ATOM 328 CE LYS A 445 -1.036 -4.112 7.025 1.00 0.00 C ATOM 329 NZ LYS A 445 -1.180 -5.591 6.944 1.00 0.00 N ATOM 0 H LYS A 445 -1.168 -2.127 2.396 1.00 0.00 H new ATOM 0 HA LYS A 445 -0.195 -1.326 4.978 1.00 0.00 H new ATOM 0 HB2 LYS A 445 0.350 -3.814 3.314 1.00 0.00 H new ATOM 0 HB3 LYS A 445 0.683 -3.627 5.024 1.00 0.00 H new ATOM 0 HG2 LYS A 445 -2.099 -3.436 3.816 1.00 0.00 H new ATOM 0 HG3 LYS A 445 -1.420 -4.911 4.477 1.00 0.00 H new ATOM 0 HD2 LYS A 445 -1.723 -2.326 6.054 1.00 0.00 H new ATOM 0 HD3 LYS A 445 -2.897 -3.626 6.073 1.00 0.00 H new ATOM 0 HE2 LYS A 445 0.016 -3.844 6.930 1.00 0.00 H new ATOM 0 HE3 LYS A 445 -1.365 -3.768 8.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 445 -0.886 -6.018 7.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 445 -2.173 -5.833 6.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 445 -0.581 -5.957 6.176 1.00 0.00 H new ATOM 343 N CYS A 446 1.887 -1.614 2.445 1.00 0.00 N ATOM 344 CA CYS A 446 3.212 -1.242 1.975 1.00 0.00 C ATOM 345 C CYS A 446 3.272 0.250 1.668 1.00 0.00 C ATOM 346 O CYS A 446 4.232 0.934 2.028 1.00 0.00 O ATOM 347 CB CYS A 446 3.577 -2.045 0.726 1.00 0.00 C ATOM 348 SG CYS A 446 3.689 -3.845 0.993 1.00 0.00 S ATOM 0 H CYS A 446 1.291 -2.038 1.734 1.00 0.00 H new ATOM 0 HA CYS A 446 3.930 -1.466 2.764 1.00 0.00 H new ATOM 0 HB2 CYS A 446 2.833 -1.850 -0.046 1.00 0.00 H new ATOM 0 HB3 CYS A 446 4.533 -1.686 0.345 1.00 0.00 H new ATOM 353 N LYS A 447 2.241 0.744 0.994 1.00 0.00 N ATOM 354 CA LYS A 447 2.163 2.146 0.612 1.00 0.00 C ATOM 355 C LYS A 447 2.185 3.042 1.843 1.00 0.00 C ATOM 356 O LYS A 447 1.250 3.028 2.645 1.00 0.00 O ATOM 357 CB LYS A 447 0.881 2.388 -0.191 1.00 0.00 C ATOM 358 CG LYS A 447 0.717 3.811 -0.698 1.00 0.00 C ATOM 359 CD LYS A 447 1.738 4.144 -1.770 1.00 0.00 C ATOM 360 CE LYS A 447 1.529 5.544 -2.318 1.00 0.00 C ATOM 361 NZ LYS A 447 2.511 5.873 -3.378 1.00 0.00 N ATOM 0 H LYS A 447 1.440 0.186 0.699 1.00 0.00 H new ATOM 0 HA LYS A 447 3.029 2.390 -0.004 1.00 0.00 H new ATOM 0 HB2 LYS A 447 0.866 1.708 -1.043 1.00 0.00 H new ATOM 0 HB3 LYS A 447 0.023 2.136 0.433 1.00 0.00 H new ATOM 0 HG2 LYS A 447 -0.288 3.941 -1.099 1.00 0.00 H new ATOM 0 HG3 LYS A 447 0.821 4.508 0.133 1.00 0.00 H new ATOM 0 HD2 LYS A 447 2.743 4.060 -1.356 1.00 0.00 H new ATOM 0 HD3 LYS A 447 1.666 3.420 -2.581 1.00 0.00 H new ATOM 0 HE2 LYS A 447 0.519 5.630 -2.719 1.00 0.00 H new ATOM 0 HE3 LYS A 447 1.613 6.268 -1.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 2.402 6.869 -3.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 3.475 5.717 -3.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 2.347 5.264 -4.205 1.00 0.00 H new ATOM 375 N GLY A 448 3.244 3.820 1.992 1.00 0.00 N ATOM 376 CA GLY A 448 3.344 4.703 3.133 1.00 0.00 C ATOM 377 C GLY A 448 4.639 4.526 3.893 1.00 0.00 C ATOM 378 O GLY A 448 5.071 5.434 4.610 1.00 0.00 O ATOM 0 H GLY A 448 4.033 3.856 1.347 1.00 0.00 H new ATOM 0 HA2 GLY A 448 3.263 5.736 2.796 1.00 0.00 H new ATOM 0 HA3 GLY A 448 2.505 4.520 3.804 1.00 0.00 H new ATOM 382 N LYS A 449 5.232 3.341 3.798 1.00 0.00 N ATOM 383 CA LYS A 449 6.455 3.053 4.525 1.00 0.00 C ATOM 384 C LYS A 449 7.650 3.729 3.872 1.00 0.00 C ATOM 385 O LYS A 449 7.742 3.806 2.647 1.00 0.00 O ATOM 386 CB LYS A 449 6.679 1.550 4.625 1.00 0.00 C ATOM 387 CG LYS A 449 5.700 0.867 5.557 1.00 0.00 C ATOM 388 CD LYS A 449 5.948 -0.626 5.646 1.00 0.00 C ATOM 389 CE LYS A 449 7.355 -0.945 6.133 1.00 0.00 C ATOM 390 NZ LYS A 449 7.526 -2.393 6.413 1.00 0.00 N ATOM 0 H LYS A 449 4.885 2.570 3.227 1.00 0.00 H new ATOM 0 HA LYS A 449 6.349 3.454 5.533 1.00 0.00 H new ATOM 0 HB2 LYS A 449 6.595 1.109 3.632 1.00 0.00 H new ATOM 0 HB3 LYS A 449 7.695 1.362 4.973 1.00 0.00 H new ATOM 0 HG2 LYS A 449 5.778 1.307 6.551 1.00 0.00 H new ATOM 0 HG3 LYS A 449 4.683 1.045 5.208 1.00 0.00 H new ATOM 0 HD2 LYS A 449 5.220 -1.074 6.323 1.00 0.00 H new ATOM 0 HD3 LYS A 449 5.793 -1.078 4.666 1.00 0.00 H new ATOM 0 HE2 LYS A 449 8.080 -0.632 5.381 1.00 0.00 H new ATOM 0 HE3 LYS A 449 7.566 -0.373 7.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 449 8.496 -2.571 6.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 449 6.852 -2.686 7.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 449 7.350 -2.938 5.545 1.00 0.00 H new ATOM 404 N GLY A 450 8.548 4.230 4.706 1.00 0.00 N ATOM 405 CA GLY A 450 9.737 4.906 4.216 1.00 0.00 C ATOM 406 C GLY A 450 10.762 3.931 3.681 1.00 0.00 C ATOM 407 O GLY A 450 10.727 2.754 4.021 1.00 0.00 O ATOM 0 H GLY A 450 8.476 4.181 5.722 1.00 0.00 H new ATOM 0 HA2 GLY A 450 9.458 5.607 3.429 1.00 0.00 H new ATOM 0 HA3 GLY A 450 10.179 5.492 5.022 1.00 0.00 H new ATOM 411 N GLU A 451 11.657 4.408 2.827 1.00 0.00 N ATOM 412 CA GLU A 451 12.677 3.553 2.227 1.00 0.00 C ATOM 413 C GLU A 451 13.571 2.925 3.291 1.00 0.00 C ATOM 414 O GLU A 451 13.943 1.756 3.189 1.00 0.00 O ATOM 415 CB GLU A 451 13.522 4.351 1.237 1.00 0.00 C ATOM 416 CG GLU A 451 14.568 3.524 0.506 1.00 0.00 C ATOM 417 CD GLU A 451 15.412 4.359 -0.435 1.00 0.00 C ATOM 418 OE1 GLU A 451 14.849 4.988 -1.353 1.00 0.00 O ATOM 419 OE2 GLU A 451 16.646 4.399 -0.257 1.00 0.00 O ATOM 0 H GLU A 451 11.699 5.384 2.532 1.00 0.00 H new ATOM 0 HA GLU A 451 12.168 2.749 1.696 1.00 0.00 H new ATOM 0 HB2 GLU A 451 12.862 4.814 0.503 1.00 0.00 H new ATOM 0 HB3 GLU A 451 14.022 5.159 1.771 1.00 0.00 H new ATOM 0 HG2 GLU A 451 15.216 3.037 1.235 1.00 0.00 H new ATOM 0 HG3 GLU A 451 14.073 2.734 -0.059 1.00 0.00 H new ATOM 426 N LYS A 452 13.863 3.687 4.338 1.00 0.00 N ATOM 427 CA LYS A 452 14.684 3.202 5.444 1.00 0.00 C ATOM 428 C LYS A 452 13.839 2.423 6.446 1.00 0.00 C ATOM 429 O LYS A 452 14.070 2.478 7.657 1.00 0.00 O ATOM 430 CB LYS A 452 15.384 4.375 6.131 1.00 0.00 C ATOM 431 CG LYS A 452 16.292 5.157 5.199 1.00 0.00 C ATOM 432 CD LYS A 452 16.900 6.361 5.892 1.00 0.00 C ATOM 433 CE LYS A 452 17.846 7.111 4.969 1.00 0.00 C ATOM 434 NZ LYS A 452 18.466 8.283 5.639 1.00 0.00 N ATOM 0 H LYS A 452 13.542 4.649 4.446 1.00 0.00 H new ATOM 0 HA LYS A 452 15.440 2.527 5.043 1.00 0.00 H new ATOM 0 HB2 LYS A 452 14.632 5.047 6.544 1.00 0.00 H new ATOM 0 HB3 LYS A 452 15.971 3.999 6.969 1.00 0.00 H new ATOM 0 HG2 LYS A 452 17.087 4.507 4.834 1.00 0.00 H new ATOM 0 HG3 LYS A 452 15.724 5.486 4.328 1.00 0.00 H new ATOM 0 HD2 LYS A 452 16.107 7.030 6.225 1.00 0.00 H new ATOM 0 HD3 LYS A 452 17.438 6.037 6.783 1.00 0.00 H new ATOM 0 HE2 LYS A 452 18.628 6.435 4.625 1.00 0.00 H new ATOM 0 HE3 LYS A 452 17.302 7.445 4.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 452 19.104 8.766 4.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 452 17.722 8.942 5.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 452 19.007 7.963 6.467 1.00 0.00 H new ATOM 448 N ASP A 453 12.891 1.667 5.920 1.00 0.00 N ATOM 449 CA ASP A 453 12.021 0.830 6.733 1.00 0.00 C ATOM 450 C ASP A 453 11.330 -0.203 5.857 1.00 0.00 C ATOM 451 O ASP A 453 11.385 -1.404 6.127 1.00 0.00 O ATOM 452 CB ASP A 453 10.973 1.678 7.448 1.00 0.00 C ATOM 453 CG ASP A 453 10.009 0.844 8.266 1.00 0.00 C ATOM 454 OD1 ASP A 453 10.464 0.102 9.160 1.00 0.00 O ATOM 455 OD2 ASP A 453 8.791 0.932 8.020 1.00 0.00 O ATOM 0 H ASP A 453 12.702 1.615 4.919 1.00 0.00 H new ATOM 0 HA ASP A 453 12.631 0.323 7.481 1.00 0.00 H new ATOM 0 HB2 ASP A 453 11.473 2.393 8.101 1.00 0.00 H new ATOM 0 HB3 ASP A 453 10.414 2.255 6.712 1.00 0.00 H new ATOM 460 N CYS A 454 10.736 0.270 4.769 1.00 0.00 N ATOM 461 CA CYS A 454 10.095 -0.604 3.803 1.00 0.00 C ATOM 462 C CYS A 454 11.154 -1.436 3.090 1.00 0.00 C ATOM 463 O CYS A 454 12.127 -0.897 2.557 1.00 0.00 O ATOM 464 CB CYS A 454 9.285 0.209 2.789 1.00 0.00 C ATOM 465 SG CYS A 454 7.819 -0.683 2.166 1.00 0.00 S ATOM 0 H CYS A 454 10.686 1.262 4.535 1.00 0.00 H new ATOM 0 HA CYS A 454 9.408 -1.268 4.328 1.00 0.00 H new ATOM 0 HB2 CYS A 454 8.966 1.142 3.252 1.00 0.00 H new ATOM 0 HB3 CYS A 454 9.927 0.474 1.949 1.00 0.00 H new ATOM 470 N LYS A 455 10.986 -2.746 3.115 1.00 0.00 N ATOM 471 CA LYS A 455 11.943 -3.644 2.491 1.00 0.00 C ATOM 472 C LYS A 455 11.523 -3.938 1.063 1.00 0.00 C ATOM 473 O LYS A 455 10.353 -4.189 0.808 1.00 0.00 O ATOM 474 CB LYS A 455 12.045 -4.952 3.276 1.00 0.00 C ATOM 475 CG LYS A 455 12.280 -4.769 4.768 1.00 0.00 C ATOM 476 CD LYS A 455 13.521 -3.938 5.053 1.00 0.00 C ATOM 477 CE LYS A 455 13.856 -3.927 6.536 1.00 0.00 C ATOM 478 NZ LYS A 455 12.693 -3.529 7.372 1.00 0.00 N ATOM 0 H LYS A 455 10.196 -3.212 3.561 1.00 0.00 H new ATOM 0 HA LYS A 455 12.919 -3.159 2.489 1.00 0.00 H new ATOM 0 HB2 LYS A 455 11.127 -5.521 3.132 1.00 0.00 H new ATOM 0 HB3 LYS A 455 12.858 -5.548 2.862 1.00 0.00 H new ATOM 0 HG2 LYS A 455 11.411 -4.287 5.215 1.00 0.00 H new ATOM 0 HG3 LYS A 455 12.381 -5.746 5.241 1.00 0.00 H new ATOM 0 HD2 LYS A 455 14.365 -4.338 4.491 1.00 0.00 H new ATOM 0 HD3 LYS A 455 13.363 -2.916 4.707 1.00 0.00 H new ATOM 0 HE2 LYS A 455 14.196 -4.918 6.837 1.00 0.00 H new ATOM 0 HE3 LYS A 455 14.682 -3.239 6.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 13.027 -3.224 8.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 12.187 -2.745 6.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 12.050 -4.339 7.480 1.00 0.00 H new ATOM 492 N SER A 456 12.474 -3.900 0.142 1.00 0.00 N ATOM 493 CA SER A 456 12.189 -4.139 -1.272 1.00 0.00 C ATOM 494 C SER A 456 11.605 -5.543 -1.516 1.00 0.00 C ATOM 495 O SER A 456 10.580 -5.666 -2.181 1.00 0.00 O ATOM 496 CB SER A 456 13.449 -3.916 -2.118 1.00 0.00 C ATOM 497 OG SER A 456 13.161 -3.981 -3.506 1.00 0.00 O ATOM 0 H SER A 456 13.454 -3.706 0.346 1.00 0.00 H new ATOM 0 HA SER A 456 11.429 -3.420 -1.579 1.00 0.00 H new ATOM 0 HB2 SER A 456 13.881 -2.944 -1.880 1.00 0.00 H new ATOM 0 HB3 SER A 456 14.196 -4.668 -1.865 1.00 0.00 H new ATOM 0 HG SER A 456 13.983 -3.833 -4.018 1.00 0.00 H new ATOM 503 N PRO A 457 12.221 -6.629 -0.997 1.00 0.00 N ATOM 504 CA PRO A 457 11.676 -7.981 -1.173 1.00 0.00 C ATOM 505 C PRO A 457 10.301 -8.119 -0.524 1.00 0.00 C ATOM 506 O PRO A 457 9.478 -8.928 -0.946 1.00 0.00 O ATOM 507 CB PRO A 457 12.693 -8.888 -0.467 1.00 0.00 C ATOM 508 CG PRO A 457 13.927 -8.065 -0.344 1.00 0.00 C ATOM 509 CD PRO A 457 13.457 -6.648 -0.196 1.00 0.00 C ATOM 0 HA PRO A 457 11.537 -8.232 -2.225 1.00 0.00 H new ATOM 0 HB2 PRO A 457 12.329 -9.201 0.511 1.00 0.00 H new ATOM 0 HB3 PRO A 457 12.879 -9.794 -1.043 1.00 0.00 H new ATOM 0 HG2 PRO A 457 14.519 -8.373 0.518 1.00 0.00 H new ATOM 0 HG3 PRO A 457 14.562 -8.177 -1.223 1.00 0.00 H new ATOM 0 HD2 PRO A 457 13.268 -6.391 0.846 1.00 0.00 H new ATOM 0 HD3 PRO A 457 14.193 -5.937 -0.571 1.00 0.00 H new ATOM 517 N ASP A 458 10.081 -7.341 0.527 1.00 0.00 N ATOM 518 CA ASP A 458 8.826 -7.375 1.269 1.00 0.00 C ATOM 519 C ASP A 458 7.744 -6.556 0.565 1.00 0.00 C ATOM 520 O ASP A 458 6.598 -6.990 0.454 1.00 0.00 O ATOM 521 CB ASP A 458 9.048 -6.846 2.686 1.00 0.00 C ATOM 522 CG ASP A 458 7.819 -6.978 3.562 1.00 0.00 C ATOM 523 OD1 ASP A 458 7.312 -8.109 3.715 1.00 0.00 O ATOM 524 OD2 ASP A 458 7.370 -5.961 4.127 1.00 0.00 O ATOM 0 H ASP A 458 10.762 -6.673 0.888 1.00 0.00 H new ATOM 0 HA ASP A 458 8.485 -8.409 1.317 1.00 0.00 H new ATOM 0 HB2 ASP A 458 9.875 -7.387 3.145 1.00 0.00 H new ATOM 0 HB3 ASP A 458 9.342 -5.797 2.636 1.00 0.00 H new ATOM 529 N CYS A 459 8.127 -5.386 0.068 1.00 0.00 N ATOM 530 CA CYS A 459 7.214 -4.504 -0.647 1.00 0.00 C ATOM 531 C CYS A 459 7.960 -3.810 -1.778 1.00 0.00 C ATOM 532 O CYS A 459 9.095 -3.371 -1.600 1.00 0.00 O ATOM 533 CB CYS A 459 6.618 -3.450 0.293 1.00 0.00 C ATOM 534 SG CYS A 459 5.591 -4.116 1.646 1.00 0.00 S ATOM 0 H CYS A 459 9.077 -5.023 0.149 1.00 0.00 H new ATOM 0 HA CYS A 459 6.400 -5.106 -1.051 1.00 0.00 H new ATOM 0 HB2 CYS A 459 7.432 -2.870 0.727 1.00 0.00 H new ATOM 0 HB3 CYS A 459 6.014 -2.760 -0.296 1.00 0.00 H new ATOM 539 N LYS A 460 7.358 -3.771 -2.955 1.00 0.00 N ATOM 540 CA LYS A 460 8.016 -3.202 -4.121 1.00 0.00 C ATOM 541 C LYS A 460 8.234 -1.705 -3.955 1.00 0.00 C ATOM 542 O LYS A 460 7.284 -0.921 -3.971 1.00 0.00 O ATOM 543 CB LYS A 460 7.191 -3.481 -5.385 1.00 0.00 C ATOM 544 CG LYS A 460 7.746 -2.832 -6.647 1.00 0.00 C ATOM 545 CD LYS A 460 9.173 -3.274 -6.929 1.00 0.00 C ATOM 546 CE LYS A 460 9.752 -2.546 -8.131 1.00 0.00 C ATOM 547 NZ LYS A 460 11.177 -2.898 -8.359 1.00 0.00 N ATOM 0 H LYS A 460 6.417 -4.125 -3.129 1.00 0.00 H new ATOM 0 HA LYS A 460 8.992 -3.676 -4.222 1.00 0.00 H new ATOM 0 HB2 LYS A 460 7.135 -4.559 -5.538 1.00 0.00 H new ATOM 0 HB3 LYS A 460 6.172 -3.128 -5.226 1.00 0.00 H new ATOM 0 HG2 LYS A 460 7.112 -3.088 -7.496 1.00 0.00 H new ATOM 0 HG3 LYS A 460 7.716 -1.748 -6.541 1.00 0.00 H new ATOM 0 HD2 LYS A 460 9.794 -3.085 -6.053 1.00 0.00 H new ATOM 0 HD3 LYS A 460 9.194 -4.349 -7.108 1.00 0.00 H new ATOM 0 HE2 LYS A 460 9.171 -2.793 -9.019 1.00 0.00 H new ATOM 0 HE3 LYS A 460 9.663 -1.470 -7.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 460 11.534 -2.381 -9.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 460 11.737 -2.639 -7.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 460 11.259 -3.921 -8.528 1.00 0.00 H new ATOM 561 N TRP A 461 9.497 -1.309 -3.914 1.00 0.00 N ATOM 562 CA TRP A 461 9.844 0.096 -3.911 1.00 0.00 C ATOM 563 C TRP A 461 9.897 0.579 -5.353 1.00 0.00 C ATOM 564 O TRP A 461 10.624 0.013 -6.169 1.00 0.00 O ATOM 565 CB TRP A 461 11.204 0.316 -3.236 1.00 0.00 C ATOM 566 CG TRP A 461 11.449 1.742 -2.849 1.00 0.00 C ATOM 567 CD1 TRP A 461 12.338 2.612 -3.413 1.00 0.00 C ATOM 568 CD2 TRP A 461 10.811 2.455 -1.786 1.00 0.00 C ATOM 569 NE1 TRP A 461 12.269 3.832 -2.783 1.00 0.00 N ATOM 570 CE2 TRP A 461 11.342 3.756 -1.775 1.00 0.00 C ATOM 571 CE3 TRP A 461 9.841 2.119 -0.845 1.00 0.00 C ATOM 572 CZ2 TRP A 461 10.922 4.719 -0.862 1.00 0.00 C ATOM 573 CZ3 TRP A 461 9.430 3.071 0.060 1.00 0.00 C ATOM 574 CH2 TRP A 461 9.971 4.358 0.048 1.00 0.00 C ATOM 0 H TRP A 461 10.295 -1.943 -3.882 1.00 0.00 H new ATOM 0 HA TRP A 461 9.095 0.656 -3.351 1.00 0.00 H new ATOM 0 HB2 TRP A 461 11.266 -0.311 -2.346 1.00 0.00 H new ATOM 0 HB3 TRP A 461 11.994 -0.011 -3.912 1.00 0.00 H new ATOM 0 HD1 TRP A 461 12.999 2.376 -4.234 1.00 0.00 H new ATOM 0 HE1 TRP A 461 12.817 4.658 -3.025 1.00 0.00 H new ATOM 0 HE3 TRP A 461 9.417 1.126 -0.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 461 11.334 5.717 -0.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 461 8.677 2.818 0.791 1.00 0.00 H new ATOM 0 HH2 TRP A 461 9.630 5.082 0.773 1.00 0.00 H new ATOM 585 N GLU A 462 9.062 1.544 -5.690 1.00 0.00 N ATOM 586 CA GLU A 462 8.966 2.007 -7.065 1.00 0.00 C ATOM 587 C GLU A 462 8.468 3.442 -7.116 1.00 0.00 C ATOM 588 O GLU A 462 7.442 3.770 -6.529 1.00 0.00 O ATOM 589 CB GLU A 462 8.033 1.089 -7.865 1.00 0.00 C ATOM 590 CG GLU A 462 7.860 1.500 -9.318 1.00 0.00 C ATOM 591 CD GLU A 462 9.153 1.451 -10.112 1.00 0.00 C ATOM 592 OE1 GLU A 462 10.170 0.934 -9.595 1.00 0.00 O ATOM 593 OE2 GLU A 462 9.157 1.929 -11.265 1.00 0.00 O ATOM 0 H GLU A 462 8.442 2.022 -5.035 1.00 0.00 H new ATOM 0 HA GLU A 462 9.960 1.976 -7.511 1.00 0.00 H new ATOM 0 HB2 GLU A 462 8.423 0.072 -7.830 1.00 0.00 H new ATOM 0 HB3 GLU A 462 7.055 1.073 -7.384 1.00 0.00 H new ATOM 0 HG2 GLU A 462 7.127 0.845 -9.789 1.00 0.00 H new ATOM 0 HG3 GLU A 462 7.455 2.511 -9.357 1.00 0.00 H new ATOM 600 N GLY A 463 9.224 4.296 -7.792 1.00 0.00 N ATOM 601 CA GLY A 463 8.873 5.698 -7.876 1.00 0.00 C ATOM 602 C GLY A 463 9.015 6.402 -6.541 1.00 0.00 C ATOM 603 O GLY A 463 8.269 7.333 -6.235 1.00 0.00 O ATOM 0 H GLY A 463 10.079 4.040 -8.286 1.00 0.00 H new ATOM 0 HA2 GLY A 463 9.510 6.187 -8.613 1.00 0.00 H new ATOM 0 HA3 GLY A 463 7.846 5.794 -8.229 1.00 0.00 H new ATOM 607 N GLY A 464 9.989 5.961 -5.751 1.00 0.00 N ATOM 608 CA GLY A 464 10.225 6.552 -4.450 1.00 0.00 C ATOM 609 C GLY A 464 9.053 6.363 -3.510 1.00 0.00 C ATOM 610 O GLY A 464 8.702 7.267 -2.754 1.00 0.00 O ATOM 0 H GLY A 464 10.622 5.199 -5.993 1.00 0.00 H new ATOM 0 HA2 GLY A 464 11.117 6.108 -4.008 1.00 0.00 H new ATOM 0 HA3 GLY A 464 10.425 7.617 -4.568 1.00 0.00 H new ATOM 614 N THR A 465 8.442 5.190 -3.566 1.00 0.00 N ATOM 615 CA THR A 465 7.301 4.875 -2.726 1.00 0.00 C ATOM 616 C THR A 465 7.038 3.375 -2.755 1.00 0.00 C ATOM 617 O THR A 465 7.347 2.701 -3.741 1.00 0.00 O ATOM 618 CB THR A 465 6.035 5.653 -3.162 1.00 0.00 C ATOM 619 OG1 THR A 465 4.940 5.366 -2.282 1.00 0.00 O ATOM 620 CG2 THR A 465 5.636 5.316 -4.591 1.00 0.00 C ATOM 0 H THR A 465 8.722 4.435 -4.192 1.00 0.00 H new ATOM 0 HA THR A 465 7.537 5.182 -1.707 1.00 0.00 H new ATOM 0 HB THR A 465 6.275 6.715 -3.111 1.00 0.00 H new ATOM 0 HG1 THR A 465 4.842 6.094 -1.634 1.00 0.00 H new ATOM 0 HG21 THR A 465 4.744 5.880 -4.862 1.00 0.00 H new ATOM 0 HG22 THR A 465 6.450 5.577 -5.267 1.00 0.00 H new ATOM 0 HG23 THR A 465 5.428 4.249 -4.669 1.00 0.00 H new ATOM 628 N CYS A 466 6.598 2.838 -1.631 1.00 0.00 N ATOM 629 CA CYS A 466 6.400 1.407 -1.500 1.00 0.00 C ATOM 630 C CYS A 466 5.018 0.999 -1.994 1.00 0.00 C ATOM 631 O CYS A 466 4.024 1.668 -1.712 1.00 0.00 O ATOM 632 CB CYS A 466 6.590 0.981 -0.047 1.00 0.00 C ATOM 633 SG CYS A 466 7.826 -0.338 0.171 1.00 0.00 S ATOM 0 H CYS A 466 6.371 3.374 -0.794 1.00 0.00 H new ATOM 0 HA CYS A 466 7.143 0.902 -2.118 1.00 0.00 H new ATOM 0 HB2 CYS A 466 6.889 1.849 0.541 1.00 0.00 H new ATOM 0 HB3 CYS A 466 5.634 0.641 0.351 1.00 0.00 H new ATOM 638 N LYS A 467 4.965 -0.079 -2.762 1.00 0.00 N ATOM 639 CA LYS A 467 3.714 -0.568 -3.318 1.00 0.00 C ATOM 640 C LYS A 467 3.577 -2.059 -3.058 1.00 0.00 C ATOM 641 O LYS A 467 4.552 -2.804 -3.159 1.00 0.00 O ATOM 642 CB LYS A 467 3.661 -0.307 -4.824 1.00 0.00 C ATOM 643 CG LYS A 467 3.953 1.135 -5.205 1.00 0.00 C ATOM 644 CD LYS A 467 3.898 1.337 -6.709 1.00 0.00 C ATOM 645 CE LYS A 467 4.263 2.760 -7.100 1.00 0.00 C ATOM 646 NZ LYS A 467 4.167 2.972 -8.569 1.00 0.00 N ATOM 0 H LYS A 467 5.782 -0.635 -3.015 1.00 0.00 H new ATOM 0 HA LYS A 467 2.892 -0.038 -2.836 1.00 0.00 H new ATOM 0 HB2 LYS A 467 4.380 -0.958 -5.322 1.00 0.00 H new ATOM 0 HB3 LYS A 467 2.673 -0.579 -5.196 1.00 0.00 H new ATOM 0 HG2 LYS A 467 3.231 1.793 -4.722 1.00 0.00 H new ATOM 0 HG3 LYS A 467 4.939 1.417 -4.835 1.00 0.00 H new ATOM 0 HD2 LYS A 467 4.581 0.640 -7.195 1.00 0.00 H new ATOM 0 HD3 LYS A 467 2.896 1.106 -7.071 1.00 0.00 H new ATOM 0 HE2 LYS A 467 3.601 3.459 -6.588 1.00 0.00 H new ATOM 0 HE3 LYS A 467 5.277 2.980 -6.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 467 4.424 3.954 -8.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 467 4.817 2.323 -9.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 467 3.193 2.787 -8.883 1.00 0.00 H new ATOM 660 N ASP A 468 2.374 -2.497 -2.717 1.00 0.00 N ATOM 661 CA ASP A 468 2.131 -3.913 -2.472 1.00 0.00 C ATOM 662 C ASP A 468 2.115 -4.675 -3.792 1.00 0.00 C ATOM 663 O ASP A 468 2.672 -5.788 -3.849 1.00 0.00 O ATOM 664 CB ASP A 468 0.808 -4.131 -1.740 1.00 0.00 C ATOM 665 CG ASP A 468 0.614 -5.582 -1.340 1.00 0.00 C ATOM 666 OD1 ASP A 468 1.343 -6.057 -0.442 1.00 0.00 O ATOM 667 OD2 ASP A 468 -0.251 -6.261 -1.933 1.00 0.00 O ATOM 668 OXT ASP A 468 1.542 -4.151 -4.775 1.00 0.00 O ATOM 0 H ASP A 468 1.556 -1.898 -2.604 1.00 0.00 H new ATOM 0 HA ASP A 468 2.938 -4.287 -1.841 1.00 0.00 H new ATOM 0 HB2 ASP A 468 0.778 -3.502 -0.850 1.00 0.00 H new ATOM 0 HB3 ASP A 468 -0.017 -3.818 -2.380 1.00 0.00 H new TER 673 ASP A 468