USER MOD reduce.3.24.130724 H: found=0, std=0, add=271, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 274 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 NoAdj-H: X 341 HIS HE2 : X 341 HIS NE2 : X 401 ZNZN :(H bumps) USER MOD Set 1.1: X 321 LYS NZ :NH3+ 171:sc= 0.541 (180deg=-0.27) USER MOD Set 1.2: X 322 ASN : amide:sc= -2.39 K(o=-1.8,f=-8.9!) USER MOD Single : X 312 ASN : amide:sc= -0.63 K(o=-0.63,f=0.59) USER MOD Single : X 313 ASN : amide:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : X 314 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0654) USER MOD Single : X 315 TYR OH : rot 180:sc= 0 USER MOD Single : X 316 LYS NZ :NH3+ 167:sc= -0.911 (180deg=-1.15) USER MOD Single : X 317 THR OG1 : rot 180:sc=-0.00767 USER MOD Single : X 318 LYS NZ :NH3+ 170:sc=-0.00768 (180deg=-0.106) USER MOD Single : X 328 THR OG1 : rot -34:sc= 0.133 USER MOD Single : X 333 TYR OH : rot 180:sc= 0 USER MOD Single : X 343 THR OG1 : rot -35:sc= 0.374 USER MOD Single : X 345 LYS NZ :NH3+ -137:sc= -0.552 (180deg=-2.54!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN X 312 -9.083 7.522 -16.350 1.00 1.00 N ATOM 2 CA ASN X 312 -8.255 7.550 -15.115 1.00 64.21 C ATOM 3 C ASN X 312 -7.151 6.481 -15.184 1.00 74.42 C ATOM 4 O ASN X 312 -7.287 5.479 -15.901 1.00 42.43 O ATOM 5 CB ASN X 312 -9.143 7.341 -13.846 1.00 54.43 C ATOM 6 CG ASN X 312 -9.837 5.965 -13.770 1.00 42.31 C ATOM 7 OD1 ASN X 312 -10.168 5.353 -14.792 1.00 43.02 O ATOM 8 ND2 ASN X 312 -10.080 5.480 -12.562 1.00 34.14 N ATOM 0 HA ASN X 312 -7.784 8.530 -15.042 1.00 64.21 H new ATOM 0 HB2 ASN X 312 -8.523 7.471 -12.959 1.00 54.43 H new ATOM 0 HB3 ASN X 312 -9.905 8.120 -13.819 1.00 54.43 H new ATOM 0 HD21 ASN X 312 -10.551 4.581 -12.459 1.00 34.14 H new ATOM 0 HD22 ASN X 312 -9.796 6.005 -11.735 1.00 34.14 H new ATOM 17 N ASN X 313 -6.057 6.708 -14.433 1.00 33.23 N ATOM 18 CA ASN X 313 -4.894 5.810 -14.357 1.00 12.10 C ATOM 19 C ASN X 313 -4.498 5.664 -12.887 1.00 40.55 C ATOM 20 O ASN X 313 -4.345 6.674 -12.195 1.00 4.22 O ATOM 21 CB ASN X 313 -3.696 6.390 -15.149 1.00 0.42 C ATOM 22 CG ASN X 313 -3.948 6.649 -16.642 1.00 42.34 C ATOM 23 OD1 ASN X 313 -3.442 7.626 -17.197 1.00 25.13 O ATOM 24 ND2 ASN X 313 -4.696 5.782 -17.310 1.00 41.52 N ATOM 0 H ASN X 313 -5.957 7.539 -13.850 1.00 33.23 H new ATOM 0 HA ASN X 313 -5.157 4.844 -14.789 1.00 12.10 H new ATOM 0 HB2 ASN X 313 -3.395 7.328 -14.682 1.00 0.42 H new ATOM 0 HB3 ASN X 313 -2.855 5.703 -15.055 1.00 0.42 H new ATOM 0 HD21 ASN X 313 -4.864 5.916 -18.307 1.00 41.52 H new ATOM 0 HD22 ASN X 313 -5.103 4.981 -16.827 1.00 41.52 H new ATOM 31 N LYS X 314 -4.326 4.424 -12.414 1.00 20.43 N ATOM 32 CA LYS X 314 -3.932 4.126 -11.017 1.00 31.13 C ATOM 33 C LYS X 314 -2.390 4.128 -10.869 1.00 41.12 C ATOM 34 O LYS X 314 -1.781 3.117 -10.507 1.00 43.13 O ATOM 35 CB LYS X 314 -4.560 2.766 -10.532 1.00 43.21 C ATOM 36 CG LYS X 314 -6.023 2.826 -10.031 1.00 73.52 C ATOM 37 CD LYS X 314 -7.049 3.248 -11.105 1.00 71.11 C ATOM 38 CE LYS X 314 -8.497 3.168 -10.582 1.00 44.23 C ATOM 39 NZ LYS X 314 -8.709 3.974 -9.339 1.00 52.23 N ATOM 0 H LYS X 314 -4.455 3.590 -12.986 1.00 20.43 H new ATOM 0 HA LYS X 314 -4.326 4.914 -10.375 1.00 31.13 H new ATOM 0 HB2 LYS X 314 -4.509 2.053 -11.355 1.00 43.21 H new ATOM 0 HB3 LYS X 314 -3.939 2.370 -9.728 1.00 43.21 H new ATOM 0 HG2 LYS X 314 -6.302 1.846 -9.645 1.00 73.52 H new ATOM 0 HG3 LYS X 314 -6.080 3.525 -9.197 1.00 73.52 H new ATOM 0 HD2 LYS X 314 -6.836 4.267 -11.429 1.00 71.11 H new ATOM 0 HD3 LYS X 314 -6.943 2.606 -11.980 1.00 71.11 H new ATOM 0 HE2 LYS X 314 -9.179 3.518 -11.357 1.00 44.23 H new ATOM 0 HE3 LYS X 314 -8.749 2.127 -10.382 1.00 44.23 H new ATOM 0 HZ1 LYS X 314 -9.718 3.967 -9.089 1.00 52.23 H new ATOM 0 HZ2 LYS X 314 -8.156 3.563 -8.560 1.00 52.23 H new ATOM 0 HZ3 LYS X 314 -8.400 4.953 -9.503 1.00 52.23 H new ATOM 53 N TYR X 315 -1.757 5.273 -11.191 1.00 31.10 N ATOM 54 CA TYR X 315 -0.294 5.483 -10.991 1.00 5.35 C ATOM 55 C TYR X 315 -0.039 6.496 -9.861 1.00 62.23 C ATOM 56 O TYR X 315 1.109 6.674 -9.418 1.00 13.32 O ATOM 57 CB TYR X 315 0.385 5.922 -12.315 1.00 64.44 C ATOM 58 CG TYR X 315 0.326 4.834 -13.407 1.00 72.11 C ATOM 59 CD1 TYR X 315 -0.487 4.967 -14.534 1.00 25.14 C ATOM 60 CD2 TYR X 315 1.073 3.655 -13.289 1.00 53.01 C ATOM 61 CE1 TYR X 315 -0.555 3.978 -15.498 1.00 20.13 C ATOM 62 CE2 TYR X 315 1.008 2.668 -14.254 1.00 11.02 C ATOM 63 CZ TYR X 315 0.195 2.832 -15.353 1.00 5.22 C ATOM 64 OH TYR X 315 0.131 1.845 -16.314 1.00 32.41 O ATOM 0 H TYR X 315 -2.234 6.079 -11.595 1.00 31.10 H new ATOM 0 HA TYR X 315 0.153 4.535 -10.691 1.00 5.35 H new ATOM 0 HB2 TYR X 315 -0.099 6.827 -12.683 1.00 64.44 H new ATOM 0 HB3 TYR X 315 1.426 6.176 -12.117 1.00 64.44 H new ATOM 0 HD1 TYR X 315 -1.077 5.864 -14.656 1.00 25.14 H new ATOM 0 HD2 TYR X 315 1.711 3.515 -12.429 1.00 53.01 H new ATOM 0 HE1 TYR X 315 -1.193 4.104 -16.360 1.00 20.13 H new ATOM 0 HE2 TYR X 315 1.595 1.768 -14.146 1.00 11.02 H new ATOM 0 HH TYR X 315 0.721 1.104 -16.062 1.00 32.41 H new ATOM 74 N LYS X 316 -1.121 7.157 -9.394 1.00 35.34 N ATOM 75 CA LYS X 316 -1.093 7.984 -8.163 1.00 24.30 C ATOM 76 C LYS X 316 -1.092 7.076 -6.912 1.00 43.02 C ATOM 77 O LYS X 316 -0.954 7.562 -5.784 1.00 42.31 O ATOM 78 CB LYS X 316 -2.289 8.976 -8.085 1.00 31.35 C ATOM 79 CG LYS X 316 -3.700 8.340 -7.952 1.00 15.11 C ATOM 80 CD LYS X 316 -4.360 7.967 -9.303 1.00 20.35 C ATOM 81 CE LYS X 316 -5.054 9.159 -10.021 1.00 33.32 C ATOM 82 NZ LYS X 316 -4.149 10.308 -10.302 1.00 41.41 N ATOM 0 H LYS X 316 -2.031 7.134 -9.853 1.00 35.34 H new ATOM 0 HA LYS X 316 -0.177 8.574 -8.197 1.00 24.30 H new ATOM 0 HB2 LYS X 316 -2.130 9.638 -7.234 1.00 31.35 H new ATOM 0 HB3 LYS X 316 -2.277 9.598 -8.980 1.00 31.35 H new ATOM 0 HG2 LYS X 316 -3.625 7.443 -7.337 1.00 15.11 H new ATOM 0 HG3 LYS X 316 -4.351 9.036 -7.423 1.00 15.11 H new ATOM 0 HD2 LYS X 316 -3.600 7.551 -9.964 1.00 20.35 H new ATOM 0 HD3 LYS X 316 -5.096 7.182 -9.131 1.00 20.35 H new ATOM 0 HE2 LYS X 316 -5.479 8.806 -10.961 1.00 33.32 H new ATOM 0 HE3 LYS X 316 -5.885 9.506 -9.406 1.00 33.32 H new ATOM 0 HZ1 LYS X 316 -4.613 10.961 -10.966 1.00 41.41 H new ATOM 0 HZ2 LYS X 316 -3.937 10.808 -9.415 1.00 41.41 H new ATOM 0 HZ3 LYS X 316 -3.264 9.958 -10.722 1.00 41.41 H new ATOM 96 N THR X 317 -1.311 5.765 -7.137 1.00 5.34 N ATOM 97 CA THR X 317 -1.148 4.707 -6.124 1.00 22.44 C ATOM 98 C THR X 317 0.007 3.758 -6.549 1.00 51.32 C ATOM 99 O THR X 317 0.387 3.728 -7.730 1.00 34.34 O ATOM 100 CB THR X 317 -2.482 3.913 -5.906 1.00 52.33 C ATOM 101 OG1 THR X 317 -2.316 2.928 -4.872 1.00 1.11 O ATOM 102 CG2 THR X 317 -2.971 3.226 -7.191 1.00 53.43 C ATOM 0 H THR X 317 -1.611 5.407 -8.044 1.00 5.34 H new ATOM 0 HA THR X 317 -0.895 5.170 -5.170 1.00 22.44 H new ATOM 0 HB THR X 317 -3.236 4.641 -5.608 1.00 52.33 H new ATOM 0 HG1 THR X 317 -3.157 2.441 -4.746 1.00 1.11 H new ATOM 0 HG21 THR X 317 -3.898 2.690 -6.987 1.00 53.43 H new ATOM 0 HG22 THR X 317 -3.149 3.977 -7.960 1.00 53.43 H new ATOM 0 HG23 THR X 317 -2.214 2.523 -7.538 1.00 53.43 H new ATOM 110 N LYS X 318 0.575 3.015 -5.585 1.00 52.32 N ATOM 111 CA LYS X 318 1.692 2.081 -5.825 1.00 14.22 C ATOM 112 C LYS X 318 1.494 0.832 -4.950 1.00 61.43 C ATOM 113 O LYS X 318 2.004 0.746 -3.825 1.00 74.12 O ATOM 114 CB LYS X 318 3.063 2.789 -5.575 1.00 43.24 C ATOM 115 CG LYS X 318 3.176 3.540 -4.223 1.00 51.23 C ATOM 116 CD LYS X 318 4.568 4.160 -3.976 1.00 33.32 C ATOM 117 CE LYS X 318 4.904 5.288 -4.953 1.00 45.52 C ATOM 118 NZ LYS X 318 3.967 6.437 -4.832 1.00 3.40 N ATOM 0 H LYS X 318 0.272 3.044 -4.611 1.00 52.32 H new ATOM 0 HA LYS X 318 1.702 1.761 -6.867 1.00 14.22 H new ATOM 0 HB2 LYS X 318 3.855 2.042 -5.626 1.00 43.24 H new ATOM 0 HB3 LYS X 318 3.241 3.498 -6.383 1.00 43.24 H new ATOM 0 HG2 LYS X 318 2.425 4.329 -4.191 1.00 51.23 H new ATOM 0 HG3 LYS X 318 2.946 2.849 -3.412 1.00 51.23 H new ATOM 0 HD2 LYS X 318 4.612 4.545 -2.957 1.00 33.32 H new ATOM 0 HD3 LYS X 318 5.326 3.381 -4.056 1.00 33.32 H new ATOM 0 HE2 LYS X 318 5.922 5.632 -4.771 1.00 45.52 H new ATOM 0 HE3 LYS X 318 4.874 4.904 -5.973 1.00 45.52 H new ATOM 0 HZ1 LYS X 318 4.329 7.240 -5.386 1.00 3.40 H new ATOM 0 HZ2 LYS X 318 3.031 6.161 -5.192 1.00 3.40 H new ATOM 0 HZ3 LYS X 318 3.885 6.715 -3.833 1.00 3.40 H new ATOM 132 N LEU X 319 0.691 -0.116 -5.470 1.00 52.45 N ATOM 133 CA LEU X 319 0.301 -1.346 -4.751 1.00 44.11 C ATOM 134 C LEU X 319 1.549 -2.161 -4.334 1.00 64.21 C ATOM 135 O LEU X 319 2.396 -2.484 -5.180 1.00 54.01 O ATOM 136 CB LEU X 319 -0.666 -2.195 -5.647 1.00 33.14 C ATOM 137 CG LEU X 319 -1.413 -3.421 -4.986 1.00 54.15 C ATOM 138 CD1 LEU X 319 -2.695 -3.779 -5.765 1.00 23.12 C ATOM 139 CD2 LEU X 319 -0.520 -4.678 -4.874 1.00 12.40 C ATOM 0 H LEU X 319 0.292 -0.050 -6.406 1.00 52.45 H new ATOM 0 HA LEU X 319 -0.225 -1.073 -3.836 1.00 44.11 H new ATOM 0 HB2 LEU X 319 -1.423 -1.522 -6.050 1.00 33.14 H new ATOM 0 HB3 LEU X 319 -0.091 -2.572 -6.493 1.00 33.14 H new ATOM 0 HG LEU X 319 -1.673 -3.101 -3.977 1.00 54.15 H new ATOM 0 HD11 LEU X 319 -3.187 -4.626 -5.287 1.00 23.12 H new ATOM 0 HD12 LEU X 319 -3.369 -2.923 -5.769 1.00 23.12 H new ATOM 0 HD13 LEU X 319 -2.436 -4.042 -6.791 1.00 23.12 H new ATOM 0 HD21 LEU X 319 -1.087 -5.487 -4.413 1.00 12.40 H new ATOM 0 HD22 LEU X 319 -0.195 -4.984 -5.869 1.00 12.40 H new ATOM 0 HD23 LEU X 319 0.353 -4.451 -4.261 1.00 12.40 H new ATOM 151 N CYS X 320 1.652 -2.457 -3.016 1.00 74.44 N ATOM 152 CA CYS X 320 2.754 -3.245 -2.441 1.00 41.43 C ATOM 153 C CYS X 320 2.776 -4.671 -3.002 1.00 0.10 C ATOM 154 O CYS X 320 1.805 -5.421 -2.835 1.00 21.21 O ATOM 155 CB CYS X 320 2.655 -3.311 -0.895 1.00 22.52 C ATOM 156 SG CYS X 320 2.957 -1.726 -0.058 1.00 60.24 S ATOM 0 H CYS X 320 0.967 -2.152 -2.324 1.00 74.44 H new ATOM 0 HA CYS X 320 3.678 -2.738 -2.719 1.00 41.43 H new ATOM 0 HB2 CYS X 320 1.663 -3.670 -0.621 1.00 22.52 H new ATOM 0 HB3 CYS X 320 3.372 -4.045 -0.528 1.00 22.52 H new ATOM 161 N LYS X 321 3.906 -5.034 -3.636 1.00 61.45 N ATOM 162 CA LYS X 321 4.177 -6.407 -4.115 1.00 24.43 C ATOM 163 C LYS X 321 4.092 -7.430 -2.950 1.00 24.32 C ATOM 164 O LYS X 321 3.797 -8.609 -3.165 1.00 2.01 O ATOM 165 CB LYS X 321 5.577 -6.500 -4.788 1.00 22.41 C ATOM 166 CG LYS X 321 6.752 -6.128 -3.862 1.00 32.21 C ATOM 167 CD LYS X 321 8.133 -6.468 -4.456 1.00 24.21 C ATOM 168 CE LYS X 321 9.273 -6.150 -3.475 1.00 14.43 C ATOM 169 NZ LYS X 321 9.116 -6.852 -2.164 1.00 2.03 N ATOM 0 H LYS X 321 4.664 -4.380 -3.833 1.00 61.45 H new ATOM 0 HA LYS X 321 3.414 -6.649 -4.855 1.00 24.43 H new ATOM 0 HB2 LYS X 321 5.725 -7.516 -5.153 1.00 22.41 H new ATOM 0 HB3 LYS X 321 5.593 -5.843 -5.658 1.00 22.41 H new ATOM 0 HG2 LYS X 321 6.711 -5.060 -3.646 1.00 32.21 H new ATOM 0 HG3 LYS X 321 6.635 -6.650 -2.912 1.00 32.21 H new ATOM 0 HD2 LYS X 321 8.165 -7.525 -4.719 1.00 24.21 H new ATOM 0 HD3 LYS X 321 8.280 -5.906 -5.378 1.00 24.21 H new ATOM 0 HE2 LYS X 321 10.224 -6.436 -3.924 1.00 14.43 H new ATOM 0 HE3 LYS X 321 9.311 -5.074 -3.305 1.00 14.43 H new ATOM 0 HZ1 LYS X 321 9.980 -6.728 -1.598 1.00 2.03 H new ATOM 0 HZ2 LYS X 321 8.305 -6.451 -1.651 1.00 2.03 H new ATOM 0 HZ3 LYS X 321 8.954 -7.866 -2.330 1.00 2.03 H new ATOM 183 N ASN X 322 4.378 -6.936 -1.724 1.00 11.13 N ATOM 184 CA ASN X 322 4.282 -7.713 -0.475 1.00 33.21 C ATOM 185 C ASN X 322 2.825 -8.106 -0.207 1.00 23.53 C ATOM 186 O ASN X 322 2.524 -9.255 0.089 1.00 54.12 O ATOM 187 CB ASN X 322 4.818 -6.874 0.726 1.00 24.33 C ATOM 188 CG ASN X 322 6.262 -6.373 0.551 1.00 40.13 C ATOM 189 OD1 ASN X 322 6.718 -6.058 -0.551 1.00 62.33 O ATOM 190 ND2 ASN X 322 7.001 -6.303 1.638 1.00 42.42 N ATOM 0 H ASN X 322 4.685 -5.975 -1.576 1.00 11.13 H new ATOM 0 HA ASN X 322 4.886 -8.614 -0.584 1.00 33.21 H new ATOM 0 HB2 ASN X 322 4.163 -6.016 0.876 1.00 24.33 H new ATOM 0 HB3 ASN X 322 4.762 -7.479 1.631 1.00 24.33 H new ATOM 0 HD21 ASN X 322 7.968 -5.984 1.578 1.00 42.42 H new ATOM 0 HD22 ASN X 322 6.607 -6.568 2.541 1.00 42.42 H new ATOM 197 N PHE X 323 1.922 -7.132 -0.376 1.00 43.23 N ATOM 198 CA PHE X 323 0.477 -7.316 -0.131 1.00 13.13 C ATOM 199 C PHE X 323 -0.219 -7.986 -1.328 1.00 11.23 C ATOM 200 O PHE X 323 -1.353 -8.464 -1.198 1.00 64.41 O ATOM 201 CB PHE X 323 -0.187 -5.957 0.230 1.00 2.41 C ATOM 202 CG PHE X 323 0.102 -5.472 1.666 1.00 22.32 C ATOM 203 CD1 PHE X 323 1.405 -5.209 2.102 1.00 61.13 C ATOM 204 CD2 PHE X 323 -0.938 -5.286 2.584 1.00 24.52 C ATOM 205 CE1 PHE X 323 1.653 -4.785 3.402 1.00 34.41 C ATOM 206 CE2 PHE X 323 -0.688 -4.859 3.880 1.00 0.24 C ATOM 207 CZ PHE X 323 0.606 -4.607 4.288 1.00 3.11 C ATOM 0 H PHE X 323 2.168 -6.192 -0.686 1.00 43.23 H new ATOM 0 HA PHE X 323 0.359 -7.988 0.719 1.00 13.13 H new ATOM 0 HB2 PHE X 323 0.158 -5.199 -0.473 1.00 2.41 H new ATOM 0 HB3 PHE X 323 -1.265 -6.046 0.099 1.00 2.41 H new ATOM 0 HD1 PHE X 323 2.231 -5.337 1.418 1.00 61.13 H new ATOM 0 HD2 PHE X 323 -1.955 -5.479 2.277 1.00 24.52 H new ATOM 0 HE1 PHE X 323 2.667 -4.594 3.722 1.00 34.41 H new ATOM 0 HE2 PHE X 323 -1.507 -4.724 4.571 1.00 0.24 H new ATOM 0 HZ PHE X 323 0.801 -4.272 5.296 1.00 3.11 H new ATOM 217 N ALA X 324 0.462 -8.017 -2.481 1.00 61.52 N ATOM 218 CA ALA X 324 0.017 -8.779 -3.661 1.00 52.34 C ATOM 219 C ALA X 324 0.255 -10.288 -3.448 1.00 3.52 C ATOM 220 O ALA X 324 1.112 -10.676 -2.639 1.00 41.33 O ATOM 221 CB ALA X 324 0.744 -8.283 -4.919 1.00 1.02 C ATOM 0 H ALA X 324 1.338 -7.515 -2.625 1.00 61.52 H new ATOM 0 HA ALA X 324 -1.053 -8.620 -3.799 1.00 52.34 H new ATOM 0 HB1 ALA X 324 0.406 -8.854 -5.784 1.00 1.02 H new ATOM 0 HB2 ALA X 324 0.524 -7.227 -5.074 1.00 1.02 H new ATOM 0 HB3 ALA X 324 1.819 -8.415 -4.794 1.00 1.02 H new ATOM 227 N ARG X 325 -0.517 -11.124 -4.175 1.00 62.31 N ATOM 228 CA ARG X 325 -0.444 -12.601 -4.070 1.00 51.02 C ATOM 229 C ARG X 325 0.913 -13.118 -4.578 1.00 40.43 C ATOM 230 O ARG X 325 1.326 -12.807 -5.699 1.00 11.44 O ATOM 231 CB ARG X 325 -1.613 -13.280 -4.829 1.00 60.22 C ATOM 232 CG ARG X 325 -3.010 -12.886 -4.319 1.00 41.54 C ATOM 233 CD ARG X 325 -4.125 -13.678 -5.011 1.00 5.13 C ATOM 234 NE ARG X 325 -4.137 -13.471 -6.472 1.00 72.25 N ATOM 235 CZ ARG X 325 -4.948 -14.101 -7.342 1.00 21.33 C ATOM 236 NH1 ARG X 325 -5.826 -15.015 -6.924 1.00 0.12 N ATOM 237 NH2 ARG X 325 -4.857 -13.820 -8.641 1.00 63.32 N ATOM 0 H ARG X 325 -1.208 -10.797 -4.850 1.00 62.31 H new ATOM 0 HA ARG X 325 -0.537 -12.864 -3.016 1.00 51.02 H new ATOM 0 HB2 ARG X 325 -1.540 -13.027 -5.887 1.00 60.22 H new ATOM 0 HB3 ARG X 325 -1.502 -14.362 -4.752 1.00 60.22 H new ATOM 0 HG2 ARG X 325 -3.062 -13.053 -3.243 1.00 41.54 H new ATOM 0 HG3 ARG X 325 -3.168 -11.820 -4.484 1.00 41.54 H new ATOM 0 HD2 ARG X 325 -3.999 -14.740 -4.798 1.00 5.13 H new ATOM 0 HD3 ARG X 325 -5.089 -13.382 -4.597 1.00 5.13 H new ATOM 0 HE ARG X 325 -3.476 -12.795 -6.854 1.00 72.25 H new ATOM 0 HH11 ARG X 325 -5.890 -15.245 -5.932 1.00 0.12 H new ATOM 0 HH12 ARG X 325 -6.434 -15.483 -7.596 1.00 0.12 H new ATOM 0 HH21 ARG X 325 -4.177 -13.133 -8.968 1.00 63.32 H new ATOM 0 HH22 ARG X 325 -5.467 -14.292 -9.309 1.00 63.32 H new ATOM 251 N GLY X 326 1.590 -13.917 -3.745 1.00 23.35 N ATOM 252 CA GLY X 326 2.999 -14.289 -3.955 1.00 31.14 C ATOM 253 C GLY X 326 3.892 -13.629 -2.919 1.00 25.12 C ATOM 254 O GLY X 326 5.016 -14.076 -2.673 1.00 22.34 O ATOM 0 H GLY X 326 1.179 -14.325 -2.906 1.00 23.35 H new ATOM 0 HA2 GLY X 326 3.106 -15.372 -3.897 1.00 31.14 H new ATOM 0 HA3 GLY X 326 3.313 -13.991 -4.955 1.00 31.14 H new ATOM 258 N GLY X 327 3.381 -12.535 -2.330 1.00 24.21 N ATOM 259 CA GLY X 327 3.985 -11.898 -1.173 1.00 41.21 C ATOM 260 C GLY X 327 3.403 -12.433 0.133 1.00 0.32 C ATOM 261 O GLY X 327 2.376 -13.127 0.126 1.00 73.31 O ATOM 0 H GLY X 327 2.531 -12.073 -2.654 1.00 24.21 H new ATOM 0 HA2 GLY X 327 5.062 -12.064 -1.187 1.00 41.21 H new ATOM 0 HA3 GLY X 327 3.828 -10.821 -1.227 1.00 41.21 H new ATOM 265 N THR X 328 4.046 -12.084 1.259 1.00 74.45 N ATOM 266 CA THR X 328 3.641 -12.547 2.609 1.00 52.02 C ATOM 267 C THR X 328 2.524 -11.659 3.196 1.00 34.32 C ATOM 268 O THR X 328 1.877 -12.031 4.185 1.00 44.13 O ATOM 269 CB THR X 328 4.871 -12.599 3.584 1.00 65.34 C ATOM 270 OG1 THR X 328 4.497 -13.139 4.869 1.00 51.24 O ATOM 271 CG2 THR X 328 5.536 -11.222 3.770 1.00 24.43 C ATOM 0 H THR X 328 4.863 -11.473 1.266 1.00 74.45 H new ATOM 0 HA THR X 328 3.248 -13.558 2.501 1.00 52.02 H new ATOM 0 HB THR X 328 5.601 -13.260 3.117 1.00 65.34 H new ATOM 0 HG1 THR X 328 3.580 -12.867 5.084 1.00 51.24 H new ATOM 0 HG21 THR X 328 6.380 -11.315 4.453 1.00 24.43 H new ATOM 0 HG22 THR X 328 5.888 -10.855 2.806 1.00 24.43 H new ATOM 0 HG23 THR X 328 4.811 -10.521 4.183 1.00 24.43 H new ATOM 279 N GLY X 329 2.309 -10.481 2.577 1.00 42.43 N ATOM 280 CA GLY X 329 1.275 -9.533 3.016 1.00 12.44 C ATOM 281 C GLY X 329 1.769 -8.542 4.056 1.00 3.30 C ATOM 282 O GLY X 329 1.003 -7.719 4.547 1.00 41.43 O ATOM 0 H GLY X 329 2.843 -10.166 1.767 1.00 42.43 H new ATOM 0 HA2 GLY X 329 0.903 -8.985 2.150 1.00 12.44 H new ATOM 0 HA3 GLY X 329 0.433 -10.090 3.426 1.00 12.44 H new ATOM 286 N PHE X 330 3.040 -8.668 4.432 1.00 64.43 N ATOM 287 CA PHE X 330 3.708 -7.802 5.408 1.00 60.34 C ATOM 288 C PHE X 330 4.809 -6.981 4.709 1.00 52.13 C ATOM 289 O PHE X 330 5.624 -7.554 3.978 1.00 51.01 O ATOM 290 CB PHE X 330 4.310 -8.694 6.525 1.00 24.40 C ATOM 291 CG PHE X 330 4.972 -7.948 7.684 1.00 20.54 C ATOM 292 CD1 PHE X 330 6.363 -7.868 7.792 1.00 13.34 C ATOM 293 CD2 PHE X 330 4.196 -7.334 8.666 1.00 12.42 C ATOM 294 CE1 PHE X 330 6.952 -7.202 8.846 1.00 71.43 C ATOM 295 CE2 PHE X 330 4.787 -6.667 9.720 1.00 12.45 C ATOM 296 CZ PHE X 330 6.165 -6.600 9.807 1.00 14.02 C ATOM 0 H PHE X 330 3.652 -9.393 4.058 1.00 64.43 H new ATOM 0 HA PHE X 330 2.995 -7.104 5.848 1.00 60.34 H new ATOM 0 HB2 PHE X 330 3.517 -9.324 6.928 1.00 24.40 H new ATOM 0 HB3 PHE X 330 5.048 -9.358 6.076 1.00 24.40 H new ATOM 0 HD1 PHE X 330 6.984 -8.333 7.041 1.00 13.34 H new ATOM 0 HD2 PHE X 330 3.119 -7.381 8.601 1.00 12.42 H new ATOM 0 HE1 PHE X 330 8.028 -7.151 8.920 1.00 71.43 H new ATOM 0 HE2 PHE X 330 4.174 -6.198 10.475 1.00 12.45 H new ATOM 0 HZ PHE X 330 6.627 -6.075 10.630 1.00 14.02 H new ATOM 306 N CYS X 331 4.807 -5.649 4.907 1.00 15.04 N ATOM 307 CA CYS X 331 5.918 -4.773 4.503 1.00 3.22 C ATOM 308 C CYS X 331 6.941 -4.670 5.660 1.00 1.03 C ATOM 309 O CYS X 331 6.530 -4.459 6.812 1.00 52.24 O ATOM 310 CB CYS X 331 5.402 -3.366 4.106 1.00 40.12 C ATOM 311 SG CYS X 331 4.418 -3.337 2.579 1.00 41.23 S ATOM 0 H CYS X 331 4.035 -5.152 5.351 1.00 15.04 H new ATOM 0 HA CYS X 331 6.405 -5.205 3.629 1.00 3.22 H new ATOM 0 HB2 CYS X 331 4.798 -2.969 4.922 1.00 40.12 H new ATOM 0 HB3 CYS X 331 6.255 -2.698 3.988 1.00 40.12 H new ATOM 316 N PRO X 332 8.284 -4.818 5.387 1.00 60.21 N ATOM 317 CA PRO X 332 9.340 -4.639 6.427 1.00 40.42 C ATOM 318 C PRO X 332 9.339 -3.210 7.018 1.00 65.51 C ATOM 319 O PRO X 332 9.730 -2.987 8.169 1.00 3.44 O ATOM 320 CB PRO X 332 10.659 -4.939 5.660 1.00 60.13 C ATOM 321 CG PRO X 332 10.239 -5.736 4.457 1.00 62.31 C ATOM 322 CD PRO X 332 8.883 -5.193 4.073 1.00 23.20 C ATOM 0 HA PRO X 332 9.191 -5.291 7.288 1.00 40.42 H new ATOM 0 HB2 PRO X 332 11.163 -4.018 5.367 1.00 60.13 H new ATOM 0 HB3 PRO X 332 11.357 -5.500 6.281 1.00 60.13 H new ATOM 0 HG2 PRO X 332 10.953 -5.623 3.641 1.00 62.31 H new ATOM 0 HG3 PRO X 332 10.186 -6.800 4.689 1.00 62.31 H new ATOM 0 HD2 PRO X 332 8.967 -4.333 3.408 1.00 23.20 H new ATOM 0 HD3 PRO X 332 8.282 -5.940 3.554 1.00 23.20 H new ATOM 330 N TYR X 333 8.878 -2.261 6.195 1.00 23.43 N ATOM 331 CA TYR X 333 8.723 -0.851 6.571 1.00 4.35 C ATOM 332 C TYR X 333 7.427 -0.638 7.388 1.00 12.03 C ATOM 333 O TYR X 333 7.359 0.266 8.223 1.00 20.54 O ATOM 334 CB TYR X 333 8.692 0.028 5.296 1.00 12.04 C ATOM 335 CG TYR X 333 9.968 0.000 4.447 1.00 54.11 C ATOM 336 CD1 TYR X 333 10.929 1.004 4.569 1.00 25.25 C ATOM 337 CD2 TYR X 333 10.213 -1.027 3.527 1.00 63.51 C ATOM 338 CE1 TYR X 333 12.080 0.990 3.812 1.00 55.41 C ATOM 339 CE2 TYR X 333 11.365 -1.043 2.769 1.00 54.21 C ATOM 340 CZ TYR X 333 12.295 -0.035 2.915 1.00 2.41 C ATOM 341 OH TYR X 333 13.446 -0.053 2.159 1.00 24.31 O ATOM 0 H TYR X 333 8.598 -2.454 5.234 1.00 23.43 H new ATOM 0 HA TYR X 333 9.571 -0.563 7.192 1.00 4.35 H new ATOM 0 HB2 TYR X 333 7.855 -0.292 4.675 1.00 12.04 H new ATOM 0 HB3 TYR X 333 8.494 1.059 5.590 1.00 12.04 H new ATOM 0 HD1 TYR X 333 10.767 1.809 5.271 1.00 25.25 H new ATOM 0 HD2 TYR X 333 9.488 -1.819 3.409 1.00 63.51 H new ATOM 0 HE1 TYR X 333 12.810 1.778 3.921 1.00 55.41 H new ATOM 0 HE2 TYR X 333 11.538 -1.842 2.063 1.00 54.21 H new ATOM 0 HH TYR X 333 13.444 -0.842 1.578 1.00 24.31 H new ATOM 351 N GLY X 334 6.397 -1.473 7.106 1.00 74.52 N ATOM 352 CA GLY X 334 5.101 -1.400 7.797 1.00 55.33 C ATOM 353 C GLY X 334 4.345 -0.106 7.516 1.00 53.34 C ATOM 354 O GLY X 334 3.933 0.130 6.380 1.00 22.43 O ATOM 0 H GLY X 334 6.447 -2.207 6.399 1.00 74.52 H new ATOM 0 HA2 GLY X 334 4.486 -2.247 7.493 1.00 55.33 H new ATOM 0 HA3 GLY X 334 5.263 -1.493 8.871 1.00 55.33 H new ATOM 358 N LEU X 335 4.194 0.739 8.554 1.00 12.54 N ATOM 359 CA LEU X 335 3.549 2.070 8.440 1.00 4.42 C ATOM 360 C LEU X 335 4.447 3.029 7.628 1.00 43.42 C ATOM 361 O LEU X 335 3.952 3.885 6.895 1.00 35.31 O ATOM 362 CB LEU X 335 3.272 2.675 9.848 1.00 14.14 C ATOM 363 CG LEU X 335 2.511 4.044 9.870 1.00 3.33 C ATOM 364 CD1 LEU X 335 1.085 3.912 9.280 1.00 71.21 C ATOM 365 CD2 LEU X 335 2.481 4.632 11.295 1.00 75.42 C ATOM 0 H LEU X 335 4.515 0.522 9.498 1.00 12.54 H new ATOM 0 HA LEU X 335 2.598 1.943 7.923 1.00 4.42 H new ATOM 0 HB2 LEU X 335 2.695 1.952 10.425 1.00 14.14 H new ATOM 0 HB3 LEU X 335 4.226 2.804 10.360 1.00 14.14 H new ATOM 0 HG LEU X 335 3.058 4.739 9.233 1.00 3.33 H new ATOM 0 HD11 LEU X 335 0.587 4.881 9.312 1.00 71.21 H new ATOM 0 HD12 LEU X 335 1.149 3.570 8.247 1.00 71.21 H new ATOM 0 HD13 LEU X 335 0.514 3.192 9.866 1.00 71.21 H new ATOM 0 HD21 LEU X 335 1.947 5.582 11.285 1.00 75.42 H new ATOM 0 HD22 LEU X 335 1.973 3.938 11.964 1.00 75.42 H new ATOM 0 HD23 LEU X 335 3.501 4.792 11.644 1.00 75.42 H new ATOM 377 N ARG X 336 5.773 2.832 7.749 1.00 4.41 N ATOM 378 CA ARG X 336 6.793 3.683 7.099 1.00 64.22 C ATOM 379 C ARG X 336 6.933 3.358 5.597 1.00 0.30 C ATOM 380 O ARG X 336 7.727 3.991 4.891 1.00 52.02 O ATOM 381 CB ARG X 336 8.159 3.513 7.817 1.00 23.12 C ATOM 382 CG ARG X 336 8.111 3.791 9.336 1.00 61.43 C ATOM 383 CD ARG X 336 9.489 3.728 10.011 1.00 71.53 C ATOM 384 NE ARG X 336 9.395 4.017 11.454 1.00 3.12 N ATOM 385 CZ ARG X 336 10.413 4.417 12.239 1.00 13.22 C ATOM 386 NH1 ARG X 336 11.646 4.574 11.740 1.00 62.11 N ATOM 387 NH2 ARG X 336 10.181 4.660 13.526 1.00 61.12 N ATOM 0 H ARG X 336 6.171 2.074 8.303 1.00 4.41 H new ATOM 0 HA ARG X 336 6.468 4.720 7.182 1.00 64.22 H new ATOM 0 HB2 ARG X 336 8.518 2.497 7.656 1.00 23.12 H new ATOM 0 HB3 ARG X 336 8.885 4.184 7.358 1.00 23.12 H new ATOM 0 HG2 ARG X 336 7.677 4.777 9.504 1.00 61.43 H new ATOM 0 HG3 ARG X 336 7.449 3.066 9.810 1.00 61.43 H new ATOM 0 HD2 ARG X 336 9.923 2.739 9.864 1.00 71.53 H new ATOM 0 HD3 ARG X 336 10.161 4.444 9.538 1.00 71.53 H new ATOM 0 HE ARG X 336 8.482 3.904 11.894 1.00 3.12 H new ATOM 0 HH11 ARG X 336 11.824 4.390 10.753 1.00 62.11 H new ATOM 0 HH12 ARG X 336 12.407 4.878 12.347 1.00 62.11 H new ATOM 0 HH21 ARG X 336 9.242 4.543 13.906 1.00 61.12 H new ATOM 0 HH22 ARG X 336 10.942 4.964 14.133 1.00 61.12 H new ATOM 401 N CYS X 337 6.164 2.361 5.125 1.00 42.44 N ATOM 402 CA CYS X 337 6.113 1.973 3.722 1.00 2.33 C ATOM 403 C CYS X 337 5.453 3.074 2.875 1.00 43.43 C ATOM 404 O CYS X 337 4.305 3.457 3.121 1.00 20.10 O ATOM 405 CB CYS X 337 5.337 0.652 3.595 1.00 74.14 C ATOM 406 SG CYS X 337 5.235 -0.007 1.917 1.00 15.14 S ATOM 0 H CYS X 337 5.556 1.801 5.723 1.00 42.44 H new ATOM 0 HA CYS X 337 7.128 1.834 3.350 1.00 2.33 H new ATOM 0 HB2 CYS X 337 5.809 -0.093 4.235 1.00 74.14 H new ATOM 0 HB3 CYS X 337 4.326 0.803 3.973 1.00 74.14 H new ATOM 411 N GLU X 338 6.223 3.596 1.908 1.00 34.14 N ATOM 412 CA GLU X 338 5.737 4.564 0.902 1.00 23.31 C ATOM 413 C GLU X 338 4.766 3.871 -0.065 1.00 62.13 C ATOM 414 O GLU X 338 3.841 4.494 -0.581 1.00 13.31 O ATOM 415 CB GLU X 338 6.934 5.168 0.117 1.00 12.21 C ATOM 416 CG GLU X 338 7.957 5.925 0.995 1.00 24.52 C ATOM 417 CD GLU X 338 9.218 6.363 0.233 1.00 34.20 C ATOM 418 OE1 GLU X 338 9.249 7.492 -0.309 1.00 43.34 O ATOM 419 OE2 GLU X 338 10.180 5.565 0.163 1.00 41.04 O ATOM 0 H GLU X 338 7.209 3.359 1.798 1.00 34.14 H new ATOM 0 HA GLU X 338 5.212 5.371 1.413 1.00 23.31 H new ATOM 0 HB2 GLU X 338 7.450 4.365 -0.410 1.00 12.21 H new ATOM 0 HB3 GLU X 338 6.549 5.850 -0.641 1.00 12.21 H new ATOM 0 HG2 GLU X 338 7.476 6.806 1.421 1.00 24.52 H new ATOM 0 HG3 GLU X 338 8.250 5.287 1.829 1.00 24.52 H new ATOM 426 N PHE X 339 5.005 2.571 -0.298 1.00 14.42 N ATOM 427 CA PHE X 339 4.162 1.739 -1.155 1.00 1.05 C ATOM 428 C PHE X 339 2.771 1.547 -0.510 1.00 62.15 C ATOM 429 O PHE X 339 2.666 1.136 0.659 1.00 54.23 O ATOM 430 CB PHE X 339 4.850 0.382 -1.420 1.00 31.22 C ATOM 431 CG PHE X 339 6.242 0.496 -2.029 1.00 32.51 C ATOM 432 CD1 PHE X 339 6.400 0.759 -3.389 1.00 12.35 C ATOM 433 CD2 PHE X 339 7.390 0.341 -1.249 1.00 52.03 C ATOM 434 CE1 PHE X 339 7.657 0.865 -3.949 1.00 4.41 C ATOM 435 CE2 PHE X 339 8.648 0.445 -1.810 1.00 32.23 C ATOM 436 CZ PHE X 339 8.781 0.707 -3.161 1.00 22.13 C ATOM 0 H PHE X 339 5.795 2.069 0.108 1.00 14.42 H new ATOM 0 HA PHE X 339 4.022 2.239 -2.113 1.00 1.05 H new ATOM 0 HB2 PHE X 339 4.920 -0.167 -0.481 1.00 31.22 H new ATOM 0 HB3 PHE X 339 4.221 -0.207 -2.087 1.00 31.22 H new ATOM 0 HD1 PHE X 339 5.527 0.881 -4.013 1.00 12.35 H new ATOM 0 HD2 PHE X 339 7.293 0.137 -0.193 1.00 52.03 H new ATOM 0 HE1 PHE X 339 7.762 1.072 -5.004 1.00 4.41 H new ATOM 0 HE2 PHE X 339 9.527 0.322 -1.194 1.00 32.23 H new ATOM 0 HZ PHE X 339 9.764 0.788 -3.601 1.00 22.13 H new ATOM 446 N VAL X 340 1.732 1.869 -1.296 1.00 51.32 N ATOM 447 CA VAL X 340 0.324 1.833 -0.883 1.00 45.13 C ATOM 448 C VAL X 340 -0.151 0.388 -0.638 1.00 44.32 C ATOM 449 O VAL X 340 0.050 -0.496 -1.474 1.00 2.03 O ATOM 450 CB VAL X 340 -0.595 2.509 -1.966 1.00 45.02 C ATOM 451 CG1 VAL X 340 -2.089 2.428 -1.584 1.00 21.34 C ATOM 452 CG2 VAL X 340 -0.164 3.974 -2.215 1.00 64.22 C ATOM 0 H VAL X 340 1.854 2.170 -2.263 1.00 51.32 H new ATOM 0 HA VAL X 340 0.247 2.390 0.051 1.00 45.13 H new ATOM 0 HB VAL X 340 -0.470 1.952 -2.895 1.00 45.02 H new ATOM 0 HG11 VAL X 340 -2.689 2.906 -2.358 1.00 21.34 H new ATOM 0 HG12 VAL X 340 -2.384 1.383 -1.490 1.00 21.34 H new ATOM 0 HG13 VAL X 340 -2.250 2.937 -0.634 1.00 21.34 H new ATOM 0 HG21 VAL X 340 -0.813 4.421 -2.967 1.00 64.22 H new ATOM 0 HG22 VAL X 340 -0.242 4.539 -1.286 1.00 64.22 H new ATOM 0 HG23 VAL X 340 0.867 3.995 -2.567 1.00 64.22 H new ATOM 462 N HIS X 341 -0.780 0.177 0.521 1.00 2.12 N ATOM 463 CA HIS X 341 -1.372 -1.108 0.899 1.00 2.31 C ATOM 464 C HIS X 341 -2.838 -1.148 0.405 1.00 43.14 C ATOM 465 O HIS X 341 -3.632 -0.300 0.818 1.00 63.54 O ATOM 466 CB HIS X 341 -1.288 -1.288 2.435 1.00 64.31 C ATOM 467 CG HIS X 341 0.092 -1.068 2.987 1.00 52.34 C ATOM 468 ND1 HIS X 341 0.370 -0.355 4.123 1.00 1.10 N ATOM 469 CD2 HIS X 341 1.286 -1.432 2.473 1.00 4.15 C ATOM 470 CE1 HIS X 341 1.698 -0.303 4.256 1.00 14.20 C ATOM 471 NE2 HIS X 341 2.304 -0.949 3.264 1.00 0.33 N ATOM 0 H HIS X 341 -0.894 0.901 1.230 1.00 2.12 H new ATOM 0 HA HIS X 341 -0.826 -1.930 0.436 1.00 2.31 H new ATOM 0 HB2 HIS X 341 -1.978 -0.592 2.913 1.00 64.31 H new ATOM 0 HB3 HIS X 341 -1.619 -2.294 2.694 1.00 64.31 H new ATOM 0 HD1 HIS X 341 -0.314 0.062 4.754 1.00 1.10 H new ATOM 0 HD2 HIS X 341 1.422 -2.016 1.575 1.00 4.15 H new ATOM 0 HE1 HIS X 341 2.212 0.198 5.063 1.00 14.20 H new ATOM 479 N PRO X 342 -3.210 -2.112 -0.497 1.00 14.14 N ATOM 480 CA PRO X 342 -4.574 -2.188 -1.102 1.00 0.44 C ATOM 481 C PRO X 342 -5.688 -2.495 -0.074 1.00 3.13 C ATOM 482 O PRO X 342 -6.873 -2.272 -0.341 1.00 53.25 O ATOM 483 CB PRO X 342 -4.432 -3.332 -2.145 1.00 1.03 C ATOM 484 CG PRO X 342 -3.306 -4.174 -1.635 1.00 51.23 C ATOM 485 CD PRO X 342 -2.332 -3.198 -1.019 1.00 24.40 C ATOM 0 HA PRO X 342 -4.880 -1.235 -1.532 1.00 0.44 H new ATOM 0 HB2 PRO X 342 -5.353 -3.910 -2.227 1.00 1.03 H new ATOM 0 HB3 PRO X 342 -4.214 -2.938 -3.138 1.00 1.03 H new ATOM 0 HG2 PRO X 342 -3.657 -4.898 -0.899 1.00 51.23 H new ATOM 0 HG3 PRO X 342 -2.840 -4.740 -2.442 1.00 51.23 H new ATOM 0 HD2 PRO X 342 -1.750 -3.661 -0.222 1.00 24.40 H new ATOM 0 HD3 PRO X 342 -1.622 -2.821 -1.755 1.00 24.40 H new ATOM 493 N THR X 343 -5.278 -3.016 1.091 1.00 54.13 N ATOM 494 CA THR X 343 -6.190 -3.403 2.188 1.00 63.11 C ATOM 495 C THR X 343 -6.231 -2.307 3.289 1.00 55.21 C ATOM 496 O THR X 343 -6.927 -2.458 4.300 1.00 51.21 O ATOM 497 CB THR X 343 -5.734 -4.780 2.793 1.00 22.34 C ATOM 498 OG1 THR X 343 -6.689 -5.257 3.757 1.00 11.41 O ATOM 499 CG2 THR X 343 -4.362 -4.669 3.462 1.00 24.11 C ATOM 0 H THR X 343 -4.295 -3.184 1.305 1.00 54.13 H new ATOM 0 HA THR X 343 -7.198 -3.507 1.786 1.00 63.11 H new ATOM 0 HB THR X 343 -5.668 -5.487 1.966 1.00 22.34 H new ATOM 0 HG1 THR X 343 -7.071 -4.497 4.243 1.00 11.41 H new ATOM 0 HG21 THR X 343 -4.077 -5.639 3.870 1.00 24.11 H new ATOM 0 HG22 THR X 343 -3.623 -4.353 2.726 1.00 24.11 H new ATOM 0 HG23 THR X 343 -4.408 -3.936 4.267 1.00 24.11 H new ATOM 507 N ASP X 344 -5.484 -1.207 3.080 1.00 51.33 N ATOM 508 CA ASP X 344 -5.313 -0.134 4.085 1.00 52.31 C ATOM 509 C ASP X 344 -5.713 1.225 3.504 1.00 4.34 C ATOM 510 O ASP X 344 -5.799 1.387 2.279 1.00 31.43 O ATOM 511 CB ASP X 344 -3.837 -0.131 4.575 1.00 71.23 C ATOM 512 CG ASP X 344 -3.548 0.811 5.757 1.00 32.14 C ATOM 513 OD1 ASP X 344 -2.913 1.869 5.560 1.00 3.12 O ATOM 514 OD2 ASP X 344 -3.961 0.491 6.894 1.00 21.32 O ATOM 0 H ASP X 344 -4.980 -1.034 2.210 1.00 51.33 H new ATOM 0 HA ASP X 344 -5.968 -0.322 4.936 1.00 52.31 H new ATOM 0 HB2 ASP X 344 -3.563 -1.146 4.863 1.00 71.23 H new ATOM 0 HB3 ASP X 344 -3.193 0.148 3.741 1.00 71.23 H new ATOM 519 N LYS X 345 -5.976 2.181 4.407 1.00 23.42 N ATOM 520 CA LYS X 345 -6.407 3.536 4.061 1.00 43.43 C ATOM 521 C LYS X 345 -5.291 4.308 3.331 1.00 71.32 C ATOM 522 O LYS X 345 -4.132 4.283 3.748 1.00 64.25 O ATOM 523 CB LYS X 345 -6.850 4.285 5.350 1.00 1.51 C ATOM 524 CG LYS X 345 -7.310 5.757 5.159 1.00 31.12 C ATOM 525 CD LYS X 345 -8.536 5.947 4.218 1.00 24.10 C ATOM 526 CE LYS X 345 -9.889 5.494 4.816 1.00 40.03 C ATOM 527 NZ LYS X 345 -9.990 4.018 4.985 1.00 35.11 N ATOM 0 H LYS X 345 -5.893 2.028 5.412 1.00 23.42 H new ATOM 0 HA LYS X 345 -7.254 3.471 3.378 1.00 43.43 H new ATOM 0 HB2 LYS X 345 -7.666 3.727 5.808 1.00 1.51 H new ATOM 0 HB3 LYS X 345 -6.020 4.273 6.056 1.00 1.51 H new ATOM 0 HG2 LYS X 345 -7.553 6.176 6.136 1.00 31.12 H new ATOM 0 HG3 LYS X 345 -6.474 6.334 4.763 1.00 31.12 H new ATOM 0 HD2 LYS X 345 -8.609 7.000 3.947 1.00 24.10 H new ATOM 0 HD3 LYS X 345 -8.358 5.393 3.296 1.00 24.10 H new ATOM 0 HE2 LYS X 345 -10.030 5.975 5.784 1.00 40.03 H new ATOM 0 HE3 LYS X 345 -10.697 5.836 4.169 1.00 40.03 H new ATOM 0 HZ1 LYS X 345 -10.929 3.697 4.675 1.00 35.11 H new ATOM 0 HZ2 LYS X 345 -9.258 3.552 4.412 1.00 35.11 H new ATOM 0 HZ3 LYS X 345 -9.853 3.773 5.986 1.00 35.11 H new ATOM 541 N GLU X 346 -5.669 4.973 2.233 1.00 15.31 N ATOM 542 CA GLU X 346 -4.772 5.830 1.446 1.00 13.10 C ATOM 543 C GLU X 346 -5.590 6.998 0.845 1.00 72.15 C ATOM 544 O GLU X 346 -5.524 8.127 1.378 1.00 32.31 O ATOM 545 CB GLU X 346 -4.054 5.014 0.340 1.00 74.32 C ATOM 546 CG GLU X 346 -3.157 5.850 -0.608 1.00 73.24 C ATOM 547 CD GLU X 346 -2.037 6.626 0.107 1.00 11.21 C ATOM 548 OE1 GLU X 346 -2.175 7.852 0.312 1.00 33.12 O ATOM 549 OE2 GLU X 346 -1.006 6.015 0.452 1.00 62.32 O ATOM 550 OXT GLU X 346 -6.336 6.779 -0.135 1.00 34.27 O ATOM 0 H GLU X 346 -6.618 4.931 1.861 1.00 15.31 H new ATOM 0 HA GLU X 346 -3.997 6.237 2.095 1.00 13.10 H new ATOM 0 HB2 GLU X 346 -3.441 4.247 0.814 1.00 74.32 H new ATOM 0 HB3 GLU X 346 -4.806 4.497 -0.256 1.00 74.32 H new ATOM 0 HG2 GLU X 346 -2.709 5.185 -1.347 1.00 73.24 H new ATOM 0 HG3 GLU X 346 -3.783 6.557 -1.153 1.00 73.24 H new TER 557 GLU X 346 HETATM 558 ZN ZN X 401 3.724 -1.502 1.882 1.00 32.11 ZN