USER MOD reduce.3.24.130724 H: found=0, std=0, add=237, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 240 hydrogens (4 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: A 303 SEP H2 : A 303 SEP N : A 302 LYS C :(H bumps) USER MOD Single : A 298 THR OG1 : rot -37:sc= 0.0737 USER MOD Single : A 299 ASN : amide:sc= 0.0289 K(o=0.029,f=-5!) USER MOD Single : A 302 LYS NZ :NH3+ 162:sc= 0.501 (180deg=-0.136) USER MOD Single : A 305 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00699) USER MOD Single : A 306 TYR OH : rot -152:sc= 0.661 USER MOD Single : A 307 LYS NZ :NH3+ 177:sc= 0.974 (180deg=0.969) USER MOD Single : A 308 LYS NZ :NH3+ -152:sc= 0.89 (180deg=-0.055!) USER MOD Single : A 312 LYS NZ :NH3+ -125:sc= 0.59 (180deg=-0.353) USER MOD Single : A 319 LYS NZ :NH3+ 176:sc=-0.00345 (180deg=-0.0322) USER MOD Single : A 322 SER OG : rot 180:sc= -0.013 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 298 13.083 -14.159 21.379 1.00 25.00 N ATOM 2 CA THR A 298 12.636 -13.259 20.278 1.00 25.00 C ATOM 3 C THR A 298 12.837 -13.937 18.938 1.00 25.00 C ATOM 4 O THR A 298 13.426 -15.001 18.885 1.00 25.00 O ATOM 5 CB THR A 298 13.443 -11.943 20.299 1.00 25.00 C ATOM 6 OG1 THR A 298 14.830 -12.240 20.147 1.00 25.00 O ATOM 7 CG2 THR A 298 13.253 -11.186 21.607 1.00 25.00 C ATOM 0 HA THR A 298 11.579 -13.039 20.424 1.00 25.00 H new ATOM 0 HB THR A 298 13.083 -11.319 19.481 1.00 25.00 H new ATOM 0 HG1 THR A 298 15.041 -13.069 20.625 1.00 25.00 H new ATOM 0 HG21 THR A 298 13.837 -10.266 21.583 1.00 25.00 H new ATOM 0 HG22 THR A 298 12.198 -10.943 21.737 1.00 25.00 H new ATOM 0 HG23 THR A 298 13.588 -11.806 22.438 1.00 25.00 H new ATOM 17 N ASN A 299 12.352 -13.333 17.857 1.00 25.00 N ATOM 18 CA ASN A 299 12.452 -13.928 16.513 1.00 25.00 C ATOM 19 C ASN A 299 13.852 -13.864 15.875 1.00 25.00 C ATOM 20 O ASN A 299 14.036 -14.323 14.757 1.00 25.00 O ATOM 21 CB ASN A 299 11.439 -13.249 15.570 1.00 25.00 C ATOM 22 CG ASN A 299 11.814 -11.817 15.222 1.00 25.00 C ATOM 23 OD1 ASN A 299 12.746 -11.241 15.779 1.00 25.00 O ATOM 24 ND2 ASN A 299 11.085 -11.237 14.311 1.00 25.00 N ATOM 0 H ASN A 299 11.883 -12.428 17.878 1.00 25.00 H new ATOM 0 HA ASN A 299 12.232 -14.987 16.649 1.00 25.00 H new ATOM 0 HB2 ASN A 299 11.360 -13.831 14.652 1.00 25.00 H new ATOM 0 HB3 ASN A 299 10.455 -13.257 16.038 1.00 25.00 H new ATOM 0 HD21 ASN A 299 11.280 -10.274 14.039 1.00 25.00 H new ATOM 0 HD22 ASN A 299 10.319 -11.746 13.870 1.00 25.00 H new ATOM 31 N ARG A 300 14.820 -13.287 16.589 1.00 25.00 N ATOM 32 CA ARG A 300 16.213 -13.155 16.141 1.00 25.00 C ATOM 33 C ARG A 300 16.423 -12.424 14.801 1.00 25.00 C ATOM 34 O ARG A 300 17.478 -12.540 14.189 1.00 25.00 O ATOM 35 CB ARG A 300 16.870 -14.525 16.107 1.00 25.00 C ATOM 36 CG ARG A 300 16.684 -15.305 17.401 1.00 25.00 C ATOM 37 CD ARG A 300 17.800 -16.300 17.585 1.00 25.00 C ATOM 38 NE ARG A 300 17.749 -17.386 16.591 1.00 25.00 N ATOM 39 CZ ARG A 300 18.557 -18.443 16.563 1.00 25.00 C ATOM 40 NH1 ARG A 300 19.507 -18.623 17.448 1.00 25.00 N ATOM 41 NH2 ARG A 300 18.398 -19.341 15.631 1.00 25.00 N ATOM 0 H ARG A 300 14.657 -12.889 17.514 1.00 25.00 H new ATOM 0 HA ARG A 300 16.689 -12.507 16.877 1.00 25.00 H new ATOM 0 HB2 ARG A 300 16.455 -15.100 15.279 1.00 25.00 H new ATOM 0 HB3 ARG A 300 17.936 -14.406 15.910 1.00 25.00 H new ATOM 0 HG2 ARG A 300 16.660 -14.617 18.246 1.00 25.00 H new ATOM 0 HG3 ARG A 300 15.726 -15.824 17.385 1.00 25.00 H new ATOM 0 HD2 ARG A 300 18.758 -15.786 17.510 1.00 25.00 H new ATOM 0 HD3 ARG A 300 17.744 -16.725 18.587 1.00 25.00 H new ATOM 0 HE ARG A 300 17.036 -17.323 15.865 1.00 25.00 H new ATOM 0 HH11 ARG A 300 19.647 -17.939 18.192 1.00 25.00 H new ATOM 0 HH12 ARG A 300 20.106 -19.447 17.393 1.00 25.00 H new ATOM 0 HH21 ARG A 300 17.661 -19.228 14.935 1.00 25.00 H new ATOM 0 HH22 ARG A 300 19.011 -20.156 15.598 1.00 25.00 H new ATOM 55 N ARG A 301 15.429 -11.662 14.359 1.00 25.00 N ATOM 56 CA ARG A 301 15.529 -10.894 13.103 1.00 25.00 C ATOM 57 C ARG A 301 16.472 -9.700 13.274 1.00 25.00 C ATOM 58 O ARG A 301 17.155 -9.306 12.332 1.00 25.00 O ATOM 59 CB ARG A 301 14.123 -10.425 12.693 1.00 25.00 C ATOM 60 CG ARG A 301 14.046 -9.568 11.427 1.00 25.00 C ATOM 61 CD ARG A 301 14.319 -10.321 10.132 1.00 25.00 C ATOM 62 NE ARG A 301 14.208 -9.375 9.014 1.00 25.00 N ATOM 63 CZ ARG A 301 14.417 -9.633 7.735 1.00 25.00 C ATOM 64 NH1 ARG A 301 14.737 -10.826 7.293 1.00 25.00 N ATOM 65 NH2 ARG A 301 14.303 -8.657 6.885 1.00 25.00 N ATOM 0 H ARG A 301 14.539 -11.553 14.846 1.00 25.00 H new ATOM 0 HA ARG A 301 15.941 -11.529 12.319 1.00 25.00 H new ATOM 0 HB2 ARG A 301 13.495 -11.304 12.552 1.00 25.00 H new ATOM 0 HB3 ARG A 301 13.695 -9.857 13.519 1.00 25.00 H new ATOM 0 HG2 ARG A 301 13.055 -9.119 11.368 1.00 25.00 H new ATOM 0 HG3 ARG A 301 14.762 -8.750 11.514 1.00 25.00 H new ATOM 0 HD2 ARG A 301 15.314 -10.766 10.155 1.00 25.00 H new ATOM 0 HD3 ARG A 301 13.607 -11.137 10.010 1.00 25.00 H new ATOM 0 HE ARG A 301 13.942 -8.419 9.249 1.00 25.00 H new ATOM 0 HH11 ARG A 301 14.834 -11.603 7.947 1.00 25.00 H new ATOM 0 HH12 ARG A 301 14.889 -10.977 6.296 1.00 25.00 H new ATOM 0 HH21 ARG A 301 14.058 -7.722 7.212 1.00 25.00 H new ATOM 0 HH22 ARG A 301 14.458 -8.826 5.891 1.00 25.00 H new ATOM 79 N LYS A 302 16.490 -9.162 14.497 1.00 25.00 N ATOM 80 CA LYS A 302 17.319 -7.998 14.931 1.00 25.00 C ATOM 81 C LYS A 302 16.821 -6.648 14.402 1.00 25.00 C ATOM 82 O LYS A 302 17.421 -5.612 14.701 1.00 25.00 O ATOM 83 CB LYS A 302 18.804 -8.137 14.534 1.00 25.00 C ATOM 84 CG LYS A 302 19.459 -9.495 14.837 1.00 25.00 C ATOM 85 CD LYS A 302 20.796 -9.660 14.089 1.00 25.00 C ATOM 86 CE LYS A 302 20.627 -10.275 12.672 1.00 25.00 C ATOM 87 NZ LYS A 302 20.028 -9.339 11.642 1.00 25.00 N ATOM 0 H LYS A 302 15.911 -9.528 15.252 1.00 25.00 H new ATOM 0 HA LYS A 302 17.219 -8.012 16.016 1.00 25.00 H new ATOM 0 HB2 LYS A 302 18.893 -7.943 13.465 1.00 25.00 H new ATOM 0 HB3 LYS A 302 19.371 -7.360 15.047 1.00 25.00 H new ATOM 0 HG2 LYS A 302 19.628 -9.587 15.910 1.00 25.00 H new ATOM 0 HG3 LYS A 302 18.780 -10.299 14.552 1.00 25.00 H new ATOM 0 HD2 LYS A 302 21.280 -8.687 14.001 1.00 25.00 H new ATOM 0 HD3 LYS A 302 21.459 -10.294 14.677 1.00 25.00 H new ATOM 0 HE2 LYS A 302 21.602 -10.608 12.317 1.00 25.00 H new ATOM 0 HE3 LYS A 302 19.996 -11.161 12.748 1.00 25.00 H new ATOM 0 HZ1 LYS A 302 20.227 -9.701 10.687 1.00 25.00 H new ATOM 0 HZ2 LYS A 302 18.999 -9.280 11.783 1.00 25.00 H new ATOM 0 HZ3 LYS A 302 20.447 -8.393 11.748 1.00 25.00 H new HETATM 101 N SEP A 303 15.739 -6.678 13.626 1.00 25.00 N HETATM 102 CA SEP A 303 15.204 -5.491 12.910 1.00 25.00 C HETATM 103 CB SEP A 303 14.188 -5.939 11.858 1.00 25.00 C HETATM 104 OG SEP A 303 14.852 -6.109 10.630 1.00 25.00 O HETATM 105 C SEP A 303 14.571 -4.472 13.870 1.00 25.00 C HETATM 106 O SEP A 303 14.497 -4.706 15.088 1.00 25.00 O HETATM 107 P SEP A 303 14.078 -5.860 9.259 1.00 25.00 P HETATM 108 O1P SEP A 303 13.030 -6.890 9.265 1.00 25.00 O HETATM 109 O2P SEP A 303 13.591 -4.479 9.376 1.00 25.00 O HETATM 110 O3P SEP A 303 15.105 -6.056 8.223 1.00 25.00 O HETATM 0 HB3 SEP A 303 13.715 -6.872 12.164 1.00 25.00 H new HETATM 0 HB2 SEP A 303 13.395 -5.197 11.759 1.00 25.00 H new HETATM 0 HA SEP A 303 16.040 -4.991 12.421 1.00 25.00 H new HETATM 0 H SEP A 303 15.413 -7.612 13.379 1.00 25.00 H new ATOM 115 N GLY A 304 14.243 -3.301 13.325 1.00 25.00 N ATOM 116 CA GLY A 304 13.676 -2.201 14.096 1.00 25.00 C ATOM 117 C GLY A 304 14.776 -1.415 14.770 1.00 25.00 C ATOM 118 O GLY A 304 15.123 -0.324 14.328 1.00 25.00 O ATOM 0 H GLY A 304 14.364 -3.090 12.334 1.00 25.00 H new ATOM 0 HA2 GLY A 304 13.101 -1.547 13.441 1.00 25.00 H new ATOM 0 HA3 GLY A 304 12.986 -2.590 14.845 1.00 25.00 H new ATOM 122 N LYS A 305 15.350 -1.975 15.827 1.00 25.00 N ATOM 123 CA LYS A 305 16.435 -1.300 16.542 1.00 25.00 C ATOM 124 C LYS A 305 17.628 -1.150 15.613 1.00 25.00 C ATOM 125 O LYS A 305 18.191 -0.070 15.498 1.00 25.00 O ATOM 126 CB LYS A 305 16.832 -2.079 17.809 1.00 25.00 C ATOM 127 CG LYS A 305 17.994 -1.448 18.611 1.00 25.00 C ATOM 128 CD LYS A 305 17.628 -0.077 19.208 1.00 25.00 C ATOM 129 CE LYS A 305 18.828 0.579 19.901 1.00 25.00 C ATOM 130 NZ LYS A 305 19.335 -0.213 21.080 1.00 25.00 N ATOM 0 H LYS A 305 15.089 -2.884 16.208 1.00 25.00 H new ATOM 0 HA LYS A 305 16.092 -0.314 16.856 1.00 25.00 H new ATOM 0 HB2 LYS A 305 15.961 -2.160 18.459 1.00 25.00 H new ATOM 0 HB3 LYS A 305 17.112 -3.093 17.524 1.00 25.00 H new ATOM 0 HG2 LYS A 305 18.284 -2.124 19.415 1.00 25.00 H new ATOM 0 HG3 LYS A 305 18.861 -1.336 17.960 1.00 25.00 H new ATOM 0 HD2 LYS A 305 17.262 0.578 18.417 1.00 25.00 H new ATOM 0 HD3 LYS A 305 16.815 -0.197 19.924 1.00 25.00 H new ATOM 0 HE2 LYS A 305 19.635 0.701 19.179 1.00 25.00 H new ATOM 0 HE3 LYS A 305 18.546 1.577 20.236 1.00 25.00 H new ATOM 0 HZ1 LYS A 305 20.124 0.297 21.527 1.00 25.00 H new ATOM 0 HZ2 LYS A 305 18.567 -0.338 21.770 1.00 25.00 H new ATOM 0 HZ3 LYS A 305 19.664 -1.145 20.756 1.00 25.00 H new ATOM 144 N TYR A 306 18.004 -2.230 14.945 1.00 25.00 N ATOM 145 CA TYR A 306 19.113 -2.167 14.003 1.00 25.00 C ATOM 146 C TYR A 306 18.672 -1.473 12.723 1.00 25.00 C ATOM 147 O TYR A 306 19.434 -0.739 12.116 1.00 25.00 O ATOM 148 CB TYR A 306 19.629 -3.562 13.669 1.00 25.00 C ATOM 149 CG TYR A 306 20.835 -3.520 12.767 1.00 25.00 C ATOM 150 CD1 TYR A 306 22.122 -3.276 13.291 1.00 25.00 C ATOM 151 CD2 TYR A 306 20.699 -3.704 11.375 1.00 25.00 C ATOM 152 CE1 TYR A 306 23.253 -3.215 12.433 1.00 25.00 C ATOM 153 CE2 TYR A 306 21.824 -3.636 10.523 1.00 25.00 C ATOM 154 CZ TYR A 306 23.089 -3.389 11.058 1.00 25.00 C ATOM 155 OH TYR A 306 24.170 -3.307 10.225 1.00 25.00 O ATOM 0 H TYR A 306 17.566 -3.147 15.034 1.00 25.00 H new ATOM 0 HA TYR A 306 19.918 -1.600 14.470 1.00 25.00 H new ATOM 0 HB2 TYR A 306 19.885 -4.084 14.591 1.00 25.00 H new ATOM 0 HB3 TYR A 306 18.837 -4.135 13.188 1.00 25.00 H new ATOM 0 HD1 TYR A 306 22.249 -3.134 14.354 1.00 25.00 H new ATOM 0 HD2 TYR A 306 19.723 -3.899 10.956 1.00 25.00 H new ATOM 0 HE1 TYR A 306 24.236 -3.035 12.843 1.00 25.00 H new ATOM 0 HE2 TYR A 306 21.705 -3.775 9.459 1.00 25.00 H new ATOM 0 HH TYR A 306 23.878 -3.008 9.339 1.00 25.00 H new ATOM 165 N LYS A 307 17.427 -1.698 12.316 1.00 25.00 N ATOM 166 CA LYS A 307 16.927 -1.113 11.069 1.00 25.00 C ATOM 167 C LYS A 307 17.040 0.403 11.089 1.00 25.00 C ATOM 168 O LYS A 307 17.492 1.010 10.133 1.00 25.00 O ATOM 169 CB LYS A 307 15.477 -1.523 10.808 1.00 25.00 C ATOM 170 CG LYS A 307 15.001 -1.275 9.377 1.00 25.00 C ATOM 171 CD LYS A 307 15.695 -2.225 8.404 1.00 25.00 C ATOM 172 CE LYS A 307 14.846 -2.461 7.167 1.00 25.00 C ATOM 173 NZ LYS A 307 15.263 -3.738 6.507 1.00 25.00 N ATOM 0 H LYS A 307 16.751 -2.272 12.820 1.00 25.00 H new ATOM 0 HA LYS A 307 17.548 -1.498 10.260 1.00 25.00 H new ATOM 0 HB2 LYS A 307 15.364 -2.583 11.037 1.00 25.00 H new ATOM 0 HB3 LYS A 307 14.829 -0.978 11.494 1.00 25.00 H new ATOM 0 HG2 LYS A 307 13.921 -1.412 9.319 1.00 25.00 H new ATOM 0 HG3 LYS A 307 15.207 -0.243 9.094 1.00 25.00 H new ATOM 0 HD2 LYS A 307 16.660 -1.810 8.112 1.00 25.00 H new ATOM 0 HD3 LYS A 307 15.893 -3.176 8.899 1.00 25.00 H new ATOM 0 HE2 LYS A 307 13.792 -2.509 7.441 1.00 25.00 H new ATOM 0 HE3 LYS A 307 14.957 -1.628 6.473 1.00 25.00 H new ATOM 0 HZ1 LYS A 307 14.647 -3.924 5.690 1.00 25.00 H new ATOM 0 HZ2 LYS A 307 16.249 -3.657 6.186 1.00 25.00 H new ATOM 0 HZ3 LYS A 307 15.183 -4.522 7.186 1.00 25.00 H new ATOM 187 N LYS A 308 16.636 1.024 12.188 1.00 25.00 N ATOM 188 CA LYS A 308 16.739 2.474 12.284 1.00 25.00 C ATOM 189 C LYS A 308 18.160 2.928 12.539 1.00 25.00 C ATOM 190 O LYS A 308 18.474 4.052 12.240 1.00 25.00 O ATOM 191 CB LYS A 308 15.807 3.058 13.352 1.00 25.00 C ATOM 192 CG LYS A 308 14.295 2.980 13.018 1.00 25.00 C ATOM 193 CD LYS A 308 13.907 3.510 11.603 1.00 25.00 C ATOM 194 CE LYS A 308 14.397 4.944 11.289 1.00 25.00 C ATOM 195 NZ LYS A 308 13.807 6.004 12.166 1.00 25.00 N ATOM 0 H LYS A 308 16.243 0.561 13.008 1.00 25.00 H new ATOM 0 HA LYS A 308 16.423 2.856 11.313 1.00 25.00 H new ATOM 0 HB2 LYS A 308 15.983 2.535 14.292 1.00 25.00 H new ATOM 0 HB3 LYS A 308 16.074 4.102 13.514 1.00 25.00 H new ATOM 0 HG2 LYS A 308 13.972 1.942 13.102 1.00 25.00 H new ATOM 0 HG3 LYS A 308 13.743 3.548 13.767 1.00 25.00 H new ATOM 0 HD2 LYS A 308 14.312 2.831 10.853 1.00 25.00 H new ATOM 0 HD3 LYS A 308 12.822 3.483 11.505 1.00 25.00 H new ATOM 0 HE2 LYS A 308 15.482 4.973 11.384 1.00 25.00 H new ATOM 0 HE3 LYS A 308 14.162 5.176 10.250 1.00 25.00 H new ATOM 0 HZ1 LYS A 308 13.779 6.906 11.649 1.00 25.00 H new ATOM 0 HZ2 LYS A 308 12.841 5.731 12.439 1.00 25.00 H new ATOM 0 HZ3 LYS A 308 14.391 6.113 13.020 1.00 25.00 H new ATOM 209 N VAL A 309 19.023 2.073 13.065 1.00 25.00 N ATOM 210 CA VAL A 309 20.427 2.455 13.236 1.00 25.00 C ATOM 211 C VAL A 309 21.012 2.638 11.848 1.00 25.00 C ATOM 212 O VAL A 309 21.682 3.631 11.587 1.00 25.00 O ATOM 213 CB VAL A 309 21.224 1.410 14.081 1.00 25.00 C ATOM 214 CG1 VAL A 309 22.661 1.194 13.562 1.00 25.00 C ATOM 215 CG2 VAL A 309 21.281 1.888 15.519 1.00 25.00 C ATOM 0 H VAL A 309 18.790 1.130 13.376 1.00 25.00 H new ATOM 0 HA VAL A 309 20.499 3.385 13.800 1.00 25.00 H new ATOM 0 HB VAL A 309 20.705 0.455 14.001 1.00 25.00 H new ATOM 0 HG11 VAL A 309 23.167 0.458 14.187 1.00 25.00 H new ATOM 0 HG12 VAL A 309 22.626 0.834 12.534 1.00 25.00 H new ATOM 0 HG13 VAL A 309 23.206 2.137 13.598 1.00 25.00 H new ATOM 0 HG21 VAL A 309 21.835 1.167 16.120 1.00 25.00 H new ATOM 0 HG22 VAL A 309 21.781 2.856 15.561 1.00 25.00 H new ATOM 0 HG23 VAL A 309 20.268 1.985 15.911 1.00 25.00 H new ATOM 225 N GLU A 310 20.725 1.700 10.956 1.00 25.00 N ATOM 226 CA GLU A 310 21.213 1.791 9.591 1.00 25.00 C ATOM 227 C GLU A 310 20.713 3.092 8.973 1.00 25.00 C ATOM 228 O GLU A 310 21.491 3.870 8.466 1.00 25.00 O ATOM 229 CB GLU A 310 20.736 0.582 8.773 1.00 25.00 C ATOM 230 CG GLU A 310 21.774 0.050 7.788 1.00 25.00 C ATOM 231 CD GLU A 310 22.759 -0.915 8.445 1.00 25.00 C ATOM 232 OE1 GLU A 310 23.439 -0.519 9.412 1.00 25.00 O ATOM 233 OE2 GLU A 310 22.845 -2.084 7.996 1.00 25.00 O ATOM 0 H GLU A 310 20.161 0.874 11.153 1.00 25.00 H new ATOM 0 HA GLU A 310 22.303 1.787 9.589 1.00 25.00 H new ATOM 0 HB2 GLU A 310 20.456 -0.219 9.457 1.00 25.00 H new ATOM 0 HB3 GLU A 310 19.837 0.860 8.223 1.00 25.00 H new ATOM 0 HG2 GLU A 310 21.266 -0.456 6.967 1.00 25.00 H new ATOM 0 HG3 GLU A 310 22.323 0.887 7.355 1.00 25.00 H new ATOM 240 N ILE A 311 19.412 3.333 9.039 1.00 25.00 N ATOM 241 CA ILE A 311 18.817 4.536 8.442 1.00 25.00 C ATOM 242 C ILE A 311 19.344 5.837 9.094 1.00 25.00 C ATOM 243 O ILE A 311 19.529 6.847 8.408 1.00 25.00 O ATOM 244 CB ILE A 311 17.255 4.444 8.475 1.00 25.00 C ATOM 245 CG1 ILE A 311 16.809 3.238 7.613 1.00 25.00 C ATOM 246 CG2 ILE A 311 16.601 5.736 7.925 1.00 25.00 C ATOM 247 CD1 ILE A 311 15.312 2.915 7.660 1.00 25.00 C ATOM 0 H ILE A 311 18.742 2.716 9.498 1.00 25.00 H new ATOM 0 HA ILE A 311 19.128 4.582 7.398 1.00 25.00 H new ATOM 0 HB ILE A 311 16.936 4.318 9.510 1.00 25.00 H new ATOM 0 HG12 ILE A 311 17.090 3.430 6.577 1.00 25.00 H new ATOM 0 HG13 ILE A 311 17.364 2.357 7.936 1.00 25.00 H new ATOM 0 HG21 ILE A 311 15.516 5.639 7.962 1.00 25.00 H new ATOM 0 HG22 ILE A 311 16.910 6.587 8.532 1.00 25.00 H new ATOM 0 HG23 ILE A 311 16.916 5.893 6.893 1.00 25.00 H new ATOM 0 HD11 ILE A 311 15.105 2.055 7.023 1.00 25.00 H new ATOM 0 HD12 ILE A 311 15.021 2.685 8.685 1.00 25.00 H new ATOM 0 HD13 ILE A 311 14.743 3.774 7.305 1.00 25.00 H new ATOM 259 N LYS A 312 19.615 5.821 10.396 1.00 25.00 N ATOM 260 CA LYS A 312 20.168 7.004 11.070 1.00 25.00 C ATOM 261 C LYS A 312 21.501 7.368 10.476 1.00 25.00 C ATOM 262 O LYS A 312 21.734 8.518 10.095 1.00 25.00 O ATOM 263 CB LYS A 312 20.414 6.757 12.551 1.00 25.00 C ATOM 264 CG LYS A 312 19.240 7.013 13.477 1.00 25.00 C ATOM 265 CD LYS A 312 19.712 7.130 14.944 1.00 25.00 C ATOM 266 CE LYS A 312 20.522 5.905 15.424 1.00 25.00 C ATOM 267 NZ LYS A 312 22.021 6.060 15.212 1.00 25.00 N ATOM 0 H LYS A 312 19.465 5.016 11.004 1.00 25.00 H new ATOM 0 HA LYS A 312 19.433 7.798 10.939 1.00 25.00 H new ATOM 0 HB2 LYS A 312 20.731 5.722 12.678 1.00 25.00 H new ATOM 0 HB3 LYS A 312 21.245 7.386 12.870 1.00 25.00 H new ATOM 0 HG2 LYS A 312 18.730 7.930 13.180 1.00 25.00 H new ATOM 0 HG3 LYS A 312 18.517 6.203 13.387 1.00 25.00 H new ATOM 0 HD2 LYS A 312 20.323 8.026 15.052 1.00 25.00 H new ATOM 0 HD3 LYS A 312 18.843 7.258 15.589 1.00 25.00 H new ATOM 0 HE2 LYS A 312 20.326 5.740 16.483 1.00 25.00 H new ATOM 0 HE3 LYS A 312 20.176 5.018 14.894 1.00 25.00 H new ATOM 0 HZ1 LYS A 312 22.378 5.255 14.658 1.00 25.00 H new ATOM 0 HZ2 LYS A 312 22.209 6.944 14.698 1.00 25.00 H new ATOM 0 HZ3 LYS A 312 22.501 6.086 16.134 1.00 25.00 H new ATOM 281 N GLU A 313 22.376 6.380 10.418 1.00 25.00 N ATOM 282 CA GLU A 313 23.723 6.580 9.905 1.00 25.00 C ATOM 283 C GLU A 313 23.694 6.836 8.388 1.00 25.00 C ATOM 284 O GLU A 313 24.567 7.514 7.854 1.00 25.00 O ATOM 285 CB GLU A 313 24.587 5.377 10.289 1.00 25.00 C ATOM 286 CG GLU A 313 25.236 5.507 11.699 1.00 25.00 C ATOM 287 CD GLU A 313 24.225 5.679 12.860 1.00 25.00 C ATOM 288 OE1 GLU A 313 23.796 6.829 13.129 1.00 25.00 O ATOM 289 OE2 GLU A 313 23.871 4.677 13.525 1.00 25.00 O ATOM 0 H GLU A 313 22.178 5.426 10.721 1.00 25.00 H new ATOM 0 HA GLU A 313 24.168 7.468 10.353 1.00 25.00 H new ATOM 0 HB2 GLU A 313 23.975 4.476 10.261 1.00 25.00 H new ATOM 0 HB3 GLU A 313 25.374 5.252 9.545 1.00 25.00 H new ATOM 0 HG2 GLU A 313 25.841 4.620 11.889 1.00 25.00 H new ATOM 0 HG3 GLU A 313 25.914 6.361 11.695 1.00 25.00 H new ATOM 296 N LEU A 314 22.664 6.336 7.718 1.00 25.00 N ATOM 297 CA LEU A 314 22.413 6.592 6.289 1.00 25.00 C ATOM 298 C LEU A 314 21.775 7.977 6.066 1.00 25.00 C ATOM 299 O LEU A 314 21.131 8.220 5.050 1.00 25.00 O ATOM 300 CB LEU A 314 21.528 5.495 5.675 1.00 25.00 C ATOM 301 CG LEU A 314 22.206 4.146 5.379 1.00 25.00 C ATOM 302 CD1 LEU A 314 21.140 3.088 5.073 1.00 25.00 C ATOM 303 CD2 LEU A 314 23.171 4.259 4.195 1.00 25.00 C ATOM 0 H LEU A 314 21.965 5.732 8.150 1.00 25.00 H new ATOM 0 HA LEU A 314 23.380 6.579 5.786 1.00 25.00 H new ATOM 0 HB2 LEU A 314 20.692 5.315 6.350 1.00 25.00 H new ATOM 0 HB3 LEU A 314 21.109 5.877 4.744 1.00 25.00 H new ATOM 0 HG LEU A 314 22.777 3.852 6.260 1.00 25.00 H new ATOM 0 HD11 LEU A 314 21.624 2.134 4.864 1.00 25.00 H new ATOM 0 HD12 LEU A 314 20.479 2.979 5.932 1.00 25.00 H new ATOM 0 HD13 LEU A 314 20.558 3.398 4.205 1.00 25.00 H new ATOM 0 HD21 LEU A 314 23.635 3.290 4.010 1.00 25.00 H new ATOM 0 HD22 LEU A 314 22.623 4.574 3.307 1.00 25.00 H new ATOM 0 HD23 LEU A 314 23.943 4.993 4.424 1.00 25.00 H new ATOM 315 N GLY A 315 21.973 8.877 7.016 1.00 25.00 N ATOM 316 CA GLY A 315 21.521 10.253 6.881 1.00 25.00 C ATOM 317 C GLY A 315 20.213 10.704 7.504 1.00 25.00 C ATOM 318 O GLY A 315 19.840 11.857 7.307 1.00 25.00 O ATOM 0 H GLY A 315 22.448 8.677 7.896 1.00 25.00 H new ATOM 0 HA2 GLY A 315 22.306 10.890 7.288 1.00 25.00 H new ATOM 0 HA3 GLY A 315 21.458 10.467 5.814 1.00 25.00 H new ATOM 322 N GLU A 316 19.518 9.890 8.290 1.00 25.00 N ATOM 323 CA GLU A 316 18.322 10.400 8.992 1.00 25.00 C ATOM 324 C GLU A 316 18.783 11.485 9.965 1.00 25.00 C ATOM 325 O GLU A 316 18.065 12.443 10.252 1.00 25.00 O ATOM 326 CB GLU A 316 17.601 9.302 9.770 1.00 25.00 C ATOM 327 CG GLU A 316 16.154 9.624 10.115 1.00 25.00 C ATOM 328 CD GLU A 316 15.501 8.544 10.981 1.00 25.00 C ATOM 329 OE1 GLU A 316 16.201 7.611 11.436 1.00 25.00 O ATOM 330 OE2 GLU A 316 14.274 8.621 11.213 1.00 25.00 O ATOM 0 H GLU A 316 19.741 8.909 8.461 1.00 25.00 H new ATOM 0 HA GLU A 316 17.620 10.790 8.255 1.00 25.00 H new ATOM 0 HB2 GLU A 316 17.627 8.382 9.185 1.00 25.00 H new ATOM 0 HB3 GLU A 316 18.148 9.108 10.693 1.00 25.00 H new ATOM 0 HG2 GLU A 316 16.113 10.579 10.639 1.00 25.00 H new ATOM 0 HG3 GLU A 316 15.582 9.741 9.194 1.00 25.00 H new ATOM 337 N LEU A 317 20.015 11.339 10.447 1.00 25.00 N ATOM 338 CA LEU A 317 20.641 12.318 11.344 1.00 25.00 C ATOM 339 C LEU A 317 20.832 13.676 10.661 1.00 25.00 C ATOM 340 O LEU A 317 21.039 14.692 11.317 1.00 25.00 O ATOM 341 CB LEU A 317 22.013 11.797 11.784 1.00 25.00 C ATOM 342 CG LEU A 317 22.225 11.635 13.279 1.00 25.00 C ATOM 343 CD1 LEU A 317 21.475 10.422 13.775 1.00 25.00 C ATOM 344 CD2 LEU A 317 23.709 11.465 13.466 1.00 25.00 C ATOM 0 H LEU A 317 20.611 10.540 10.229 1.00 25.00 H new ATOM 0 HA LEU A 317 19.980 12.452 12.201 1.00 25.00 H new ATOM 0 HB2 LEU A 317 22.180 10.831 11.308 1.00 25.00 H new ATOM 0 HB3 LEU A 317 22.775 12.476 11.402 1.00 25.00 H new ATOM 0 HG LEU A 317 21.855 12.492 13.842 1.00 25.00 H new ATOM 0 HD11 LEU A 317 21.631 10.311 14.848 1.00 25.00 H new ATOM 0 HD12 LEU A 317 20.411 10.545 13.574 1.00 25.00 H new ATOM 0 HD13 LEU A 317 21.841 9.533 13.262 1.00 25.00 H new ATOM 0 HD21 LEU A 317 23.930 11.343 14.526 1.00 25.00 H new ATOM 0 HD22 LEU A 317 24.046 10.583 12.921 1.00 25.00 H new ATOM 0 HD23 LEU A 317 24.227 12.346 13.086 1.00 25.00 H new ATOM 356 N ARG A 318 20.766 13.676 9.338 1.00 25.00 N ATOM 357 CA ARG A 318 20.935 14.883 8.527 1.00 25.00 C ATOM 358 C ARG A 318 19.611 15.277 7.895 1.00 25.00 C ATOM 359 O ARG A 318 19.563 16.207 7.101 1.00 25.00 O ATOM 360 CB ARG A 318 21.955 14.612 7.412 1.00 25.00 C ATOM 361 CG ARG A 318 23.363 14.246 7.902 1.00 25.00 C ATOM 362 CD ARG A 318 24.040 15.410 8.638 1.00 25.00 C ATOM 363 NE ARG A 318 24.139 16.608 7.783 1.00 25.00 N ATOM 364 CZ ARG A 318 25.095 16.844 6.890 1.00 25.00 C ATOM 365 NH1 ARG A 318 26.088 16.013 6.681 1.00 25.00 N ATOM 366 NH2 ARG A 318 25.045 17.940 6.185 1.00 25.00 N ATOM 0 H ARG A 318 20.593 12.834 8.788 1.00 25.00 H new ATOM 0 HA ARG A 318 21.287 15.691 9.168 1.00 25.00 H new ATOM 0 HB2 ARG A 318 21.581 13.801 6.786 1.00 25.00 H new ATOM 0 HB3 ARG A 318 22.024 15.497 6.779 1.00 25.00 H new ATOM 0 HG2 ARG A 318 23.302 13.384 8.566 1.00 25.00 H new ATOM 0 HG3 ARG A 318 23.977 13.950 7.051 1.00 25.00 H new ATOM 0 HD2 ARG A 318 23.474 15.650 9.538 1.00 25.00 H new ATOM 0 HD3 ARG A 318 25.037 15.108 8.959 1.00 25.00 H new ATOM 0 HE ARG A 318 23.412 17.316 7.886 1.00 25.00 H new ATOM 0 HH11 ARG A 318 26.148 15.146 7.214 1.00 25.00 H new ATOM 0 HH12 ARG A 318 26.800 16.234 5.985 1.00 25.00 H new ATOM 0 HH21 ARG A 318 24.280 18.601 6.323 1.00 25.00 H new ATOM 0 HH22 ARG A 318 25.771 18.136 5.496 1.00 25.00 H new ATOM 380 N LYS A 319 18.559 14.542 8.253 1.00 25.00 N ATOM 381 CA LYS A 319 17.201 14.691 7.694 1.00 25.00 C ATOM 382 C LYS A 319 17.174 14.387 6.198 1.00 25.00 C ATOM 383 O LYS A 319 16.281 14.827 5.491 1.00 25.00 O ATOM 384 CB LYS A 319 16.604 16.079 7.966 1.00 25.00 C ATOM 385 CG LYS A 319 16.396 16.377 9.449 1.00 25.00 C ATOM 386 CD LYS A 319 15.809 17.781 9.682 1.00 25.00 C ATOM 387 CE LYS A 319 14.435 17.982 9.012 1.00 25.00 C ATOM 388 NZ LYS A 319 13.420 16.967 9.465 1.00 25.00 N ATOM 0 H LYS A 319 18.621 13.806 8.957 1.00 25.00 H new ATOM 0 HA LYS A 319 16.578 13.959 8.208 1.00 25.00 H new ATOM 0 HB2 LYS A 319 17.261 16.837 7.541 1.00 25.00 H new ATOM 0 HB3 LYS A 319 15.647 16.161 7.450 1.00 25.00 H new ATOM 0 HG2 LYS A 319 15.728 15.630 9.878 1.00 25.00 H new ATOM 0 HG3 LYS A 319 17.348 16.292 9.972 1.00 25.00 H new ATOM 0 HD2 LYS A 319 15.713 17.954 10.754 1.00 25.00 H new ATOM 0 HD3 LYS A 319 16.505 18.527 9.300 1.00 25.00 H new ATOM 0 HE2 LYS A 319 14.068 18.984 9.236 1.00 25.00 H new ATOM 0 HE3 LYS A 319 14.549 17.919 7.930 1.00 25.00 H new ATOM 0 HZ1 LYS A 319 12.497 17.185 9.039 1.00 25.00 H new ATOM 0 HZ2 LYS A 319 13.723 16.017 9.168 1.00 25.00 H new ATOM 0 HZ3 LYS A 319 13.338 16.996 10.501 1.00 25.00 H new ATOM 402 N GLU A 320 18.153 13.617 5.749 1.00 25.00 N ATOM 403 CA GLU A 320 18.266 13.199 4.352 1.00 25.00 C ATOM 404 C GLU A 320 18.551 11.681 4.357 1.00 25.00 C ATOM 405 O GLU A 320 19.659 11.244 4.043 1.00 25.00 O ATOM 406 CB GLU A 320 19.403 13.985 3.679 1.00 25.00 C ATOM 407 CG GLU A 320 19.382 13.949 2.156 1.00 25.00 C ATOM 408 CD GLU A 320 18.485 15.031 1.571 1.00 25.00 C ATOM 409 OE1 GLU A 320 17.261 14.807 1.459 1.00 25.00 O ATOM 410 OE2 GLU A 320 19.011 16.117 1.228 1.00 25.00 O ATOM 0 H GLU A 320 18.899 13.259 6.345 1.00 25.00 H new ATOM 0 HA GLU A 320 17.353 13.399 3.791 1.00 25.00 H new ATOM 0 HB2 GLU A 320 19.352 15.024 4.006 1.00 25.00 H new ATOM 0 HB3 GLU A 320 20.357 13.588 4.026 1.00 25.00 H new ATOM 0 HG2 GLU A 320 20.396 14.075 1.777 1.00 25.00 H new ATOM 0 HG3 GLU A 320 19.036 12.971 1.821 1.00 25.00 H new ATOM 417 N PRO A 321 17.560 10.858 4.762 1.00 25.00 N ATOM 418 CA PRO A 321 17.835 9.419 4.861 1.00 25.00 C ATOM 419 C PRO A 321 17.788 8.657 3.541 1.00 25.00 C ATOM 420 O PRO A 321 17.205 9.112 2.557 1.00 25.00 O ATOM 421 CB PRO A 321 16.701 8.930 5.761 1.00 25.00 C ATOM 422 CG PRO A 321 15.565 9.797 5.394 1.00 25.00 C ATOM 423 CD PRO A 321 16.173 11.163 5.172 1.00 25.00 C ATOM 0 HA PRO A 321 18.849 9.250 5.224 1.00 25.00 H new ATOM 0 HB2 PRO A 321 16.475 7.878 5.585 1.00 25.00 H new ATOM 0 HB3 PRO A 321 16.956 9.029 6.816 1.00 25.00 H new ATOM 0 HG2 PRO A 321 15.067 9.436 4.494 1.00 25.00 H new ATOM 0 HG3 PRO A 321 14.816 9.822 6.185 1.00 25.00 H new ATOM 0 HD2 PRO A 321 15.640 11.720 4.402 1.00 25.00 H new ATOM 0 HD3 PRO A 321 16.146 11.767 6.079 1.00 25.00 H new ATOM 431 N SER A 322 18.380 7.472 3.544 1.00 25.00 N ATOM 432 CA SER A 322 18.329 6.576 2.392 1.00 25.00 C ATOM 433 C SER A 322 17.192 5.590 2.616 1.00 25.00 C ATOM 434 O SER A 322 16.749 5.388 3.750 1.00 25.00 O ATOM 435 CB SER A 322 19.648 5.808 2.247 1.00 25.00 C ATOM 436 OG SER A 322 19.624 4.928 1.128 1.00 25.00 O ATOM 0 H SER A 322 18.906 7.104 4.337 1.00 25.00 H new ATOM 0 HA SER A 322 18.169 7.155 1.482 1.00 25.00 H new ATOM 0 HB2 SER A 322 20.470 6.515 2.137 1.00 25.00 H new ATOM 0 HB3 SER A 322 19.838 5.237 3.155 1.00 25.00 H new ATOM 0 HG SER A 322 20.480 4.456 1.065 1.00 25.00 H new ATOM 442 N LEU A 323 16.743 4.975 1.533 1.00 25.00 N ATOM 443 CA LEU A 323 15.722 3.932 1.581 1.00 25.00 C ATOM 444 C LEU A 323 16.442 2.629 1.921 1.00 25.00 C ATOM 445 O LEU A 323 17.608 2.506 1.481 1.00 25.00 O ATOM 446 CB LEU A 323 15.026 3.825 0.216 1.00 25.00 C ATOM 447 CG LEU A 323 13.931 2.782 0.063 1.00 25.00 C ATOM 448 CD1 LEU A 323 12.718 3.167 0.879 1.00 25.00 C ATOM 449 CD2 LEU A 323 13.618 2.762 -1.407 1.00 25.00 C ATOM 450 OXT LEU A 323 15.858 1.768 2.612 1.00 25.00 O ATOM 0 H LEU A 323 17.075 5.184 0.592 1.00 25.00 H new ATOM 0 HA LEU A 323 14.958 4.154 2.326 1.00 25.00 H new ATOM 0 HB2 LEU A 323 14.597 4.799 -0.019 1.00 25.00 H new ATOM 0 HB3 LEU A 323 15.789 3.623 -0.535 1.00 25.00 H new ATOM 0 HG LEU A 323 14.238 1.799 0.421 1.00 25.00 H new ATOM 0 HD11 LEU A 323 11.943 2.410 0.758 1.00 25.00 H new ATOM 0 HD12 LEU A 323 12.995 3.239 1.931 1.00 25.00 H new ATOM 0 HD13 LEU A 323 12.340 4.130 0.537 1.00 25.00 H new ATOM 0 HD21 LEU A 323 12.833 2.031 -1.602 1.00 25.00 H new ATOM 0 HD22 LEU A 323 13.280 3.750 -1.721 1.00 25.00 H new ATOM 0 HD23 LEU A 323 14.514 2.491 -1.966 1.00 25.00 H new TER 462 LEU A 323