USER MOD reduce.3.24.130724 H: found=0, std=0, add=237, rem=0, adj=7 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 130:sc= 0.873 USER MOD Single : A 299 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 302 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 305 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 306 TYR OH : rot 180:sc= 0 USER MOD Single : A 307 LYS NZ :NH3+ -118:sc= 0.7 (180deg=-0.0943) USER MOD Single : A 308 LYS NZ :NH3+ 143:sc= 0.444 (180deg=0.326) USER MOD Single : A 312 LYS NZ :NH3+ -168:sc= 1.15 (180deg=0.576) USER MOD Single : A 319 LYS NZ :NH3+ -169:sc= -0.0245 (180deg=-0.182) USER MOD Single : A 322 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 298 23.528 -12.046 11.916 1.00 25.00 N ATOM 2 CA THR A 298 23.809 -12.227 13.366 1.00 25.00 C ATOM 3 C THR A 298 22.905 -13.301 13.938 1.00 25.00 C ATOM 4 O THR A 298 21.941 -13.673 13.296 1.00 25.00 O ATOM 5 CB THR A 298 23.547 -10.914 14.118 1.00 25.00 C ATOM 6 OG1 THR A 298 22.259 -10.424 13.750 1.00 25.00 O ATOM 7 CG2 THR A 298 24.579 -9.852 13.766 1.00 25.00 C ATOM 0 HA THR A 298 24.852 -12.520 13.483 1.00 25.00 H new ATOM 0 HB THR A 298 23.606 -11.117 15.187 1.00 25.00 H new ATOM 0 HG1 THR A 298 21.750 -10.202 14.558 1.00 25.00 H new ATOM 0 HG21 THR A 298 24.362 -8.937 14.317 1.00 25.00 H new ATOM 0 HG22 THR A 298 25.574 -10.209 14.033 1.00 25.00 H new ATOM 0 HG23 THR A 298 24.542 -9.649 12.696 1.00 25.00 H new ATOM 17 N ASN A 299 23.208 -13.807 15.131 1.00 25.00 N ATOM 18 CA ASN A 299 22.370 -14.844 15.756 1.00 25.00 C ATOM 19 C ASN A 299 21.040 -14.259 16.229 1.00 25.00 C ATOM 20 O ASN A 299 20.022 -14.930 16.246 1.00 25.00 O ATOM 21 CB ASN A 299 23.113 -15.490 16.929 1.00 25.00 C ATOM 22 CG ASN A 299 22.302 -16.576 17.601 1.00 25.00 C ATOM 23 OD1 ASN A 299 21.878 -16.420 18.728 1.00 25.00 O ATOM 24 ND2 ASN A 299 22.099 -17.672 16.922 1.00 25.00 N ATOM 0 H ASN A 299 24.017 -13.524 15.684 1.00 25.00 H new ATOM 0 HA ASN A 299 22.159 -15.608 15.008 1.00 25.00 H new ATOM 0 HB2 ASN A 299 24.053 -15.911 16.572 1.00 25.00 H new ATOM 0 HB3 ASN A 299 23.365 -14.723 17.662 1.00 25.00 H new ATOM 0 HD21 ASN A 299 21.567 -18.437 17.336 1.00 25.00 H new ATOM 0 HD22 ASN A 299 22.473 -17.763 15.977 1.00 25.00 H new ATOM 31 N ARG A 300 21.066 -12.985 16.587 1.00 25.00 N ATOM 32 CA ARG A 300 19.858 -12.243 16.958 1.00 25.00 C ATOM 33 C ARG A 300 19.908 -10.950 16.167 1.00 25.00 C ATOM 34 O ARG A 300 20.898 -10.231 16.237 1.00 25.00 O ATOM 35 CB ARG A 300 19.809 -11.943 18.464 1.00 25.00 C ATOM 36 CG ARG A 300 19.410 -13.144 19.328 1.00 25.00 C ATOM 37 CD ARG A 300 20.597 -13.709 20.087 1.00 25.00 C ATOM 38 NE ARG A 300 20.211 -14.880 20.897 1.00 25.00 N ATOM 39 CZ ARG A 300 21.030 -15.579 21.678 1.00 25.00 C ATOM 40 NH1 ARG A 300 22.299 -15.280 21.818 1.00 25.00 N ATOM 41 NH2 ARG A 300 20.559 -16.599 22.341 1.00 25.00 N ATOM 0 H ARG A 300 21.921 -12.431 16.631 1.00 25.00 H new ATOM 0 HA ARG A 300 18.966 -12.828 16.736 1.00 25.00 H new ATOM 0 HB2 ARG A 300 20.788 -11.587 18.785 1.00 25.00 H new ATOM 0 HB3 ARG A 300 19.102 -11.132 18.639 1.00 25.00 H new ATOM 0 HG2 ARG A 300 18.636 -12.843 20.034 1.00 25.00 H new ATOM 0 HG3 ARG A 300 18.980 -13.920 18.695 1.00 25.00 H new ATOM 0 HD2 ARG A 300 21.379 -13.994 19.383 1.00 25.00 H new ATOM 0 HD3 ARG A 300 21.016 -12.939 20.735 1.00 25.00 H new ATOM 0 HE ARG A 300 19.236 -15.178 20.855 1.00 25.00 H new ATOM 0 HH11 ARG A 300 22.694 -14.484 21.317 1.00 25.00 H new ATOM 0 HH12 ARG A 300 22.891 -15.844 22.428 1.00 25.00 H new ATOM 0 HH21 ARG A 300 19.574 -16.851 22.257 1.00 25.00 H new ATOM 0 HH22 ARG A 300 21.175 -17.144 22.944 1.00 25.00 H new ATOM 55 N ARG A 301 18.859 -10.665 15.407 1.00 25.00 N ATOM 56 CA ARG A 301 18.813 -9.454 14.577 1.00 25.00 C ATOM 57 C ARG A 301 18.604 -8.176 15.376 1.00 25.00 C ATOM 58 O ARG A 301 19.147 -7.145 15.025 1.00 25.00 O ATOM 59 CB ARG A 301 17.668 -9.560 13.563 1.00 25.00 C ATOM 60 CG ARG A 301 17.981 -10.379 12.311 1.00 25.00 C ATOM 61 CD ARG A 301 18.909 -9.615 11.360 1.00 25.00 C ATOM 62 NE ARG A 301 18.841 -10.161 9.989 1.00 25.00 N ATOM 63 CZ ARG A 301 18.151 -9.625 8.983 1.00 25.00 C ATOM 64 NH1 ARG A 301 17.464 -8.527 9.103 1.00 25.00 N ATOM 65 NH2 ARG A 301 18.154 -10.220 7.822 1.00 25.00 N ATOM 0 H ARG A 301 18.026 -11.251 15.343 1.00 25.00 H new ATOM 0 HA ARG A 301 19.785 -9.393 14.088 1.00 25.00 H new ATOM 0 HB2 ARG A 301 16.804 -10.001 14.060 1.00 25.00 H new ATOM 0 HB3 ARG A 301 17.381 -8.554 13.257 1.00 25.00 H new ATOM 0 HG2 ARG A 301 18.448 -11.321 12.598 1.00 25.00 H new ATOM 0 HG3 ARG A 301 17.053 -10.627 11.795 1.00 25.00 H new ATOM 0 HD2 ARG A 301 18.633 -8.561 11.348 1.00 25.00 H new ATOM 0 HD3 ARG A 301 19.934 -9.671 11.726 1.00 25.00 H new ATOM 0 HE ARG A 301 19.364 -11.016 9.797 1.00 25.00 H new ATOM 0 HH11 ARG A 301 17.438 -8.037 9.997 1.00 25.00 H new ATOM 0 HH12 ARG A 301 16.952 -8.156 8.303 1.00 25.00 H new ATOM 0 HH21 ARG A 301 18.680 -11.084 7.693 1.00 25.00 H new ATOM 0 HH22 ARG A 301 17.630 -9.821 7.043 1.00 25.00 H new ATOM 79 N LYS A 302 17.803 -8.264 16.439 1.00 25.00 N ATOM 80 CA LYS A 302 17.423 -7.097 17.270 1.00 25.00 C ATOM 81 C LYS A 302 16.716 -6.077 16.367 1.00 25.00 C ATOM 82 O LYS A 302 16.905 -4.861 16.500 1.00 25.00 O ATOM 83 CB LYS A 302 18.637 -6.461 17.984 1.00 25.00 C ATOM 84 CG LYS A 302 19.396 -7.408 18.941 1.00 25.00 C ATOM 85 CD LYS A 302 18.608 -7.759 20.222 1.00 25.00 C ATOM 86 CE LYS A 302 18.470 -6.551 21.164 1.00 25.00 C ATOM 87 NZ LYS A 302 17.805 -6.920 22.469 1.00 25.00 N ATOM 0 H LYS A 302 17.394 -9.143 16.757 1.00 25.00 H new ATOM 0 HA LYS A 302 16.753 -7.430 18.062 1.00 25.00 H new ATOM 0 HB2 LYS A 302 19.334 -6.095 17.230 1.00 25.00 H new ATOM 0 HB3 LYS A 302 18.295 -5.594 18.549 1.00 25.00 H new ATOM 0 HG2 LYS A 302 19.638 -8.329 18.410 1.00 25.00 H new ATOM 0 HG3 LYS A 302 20.341 -6.944 19.222 1.00 25.00 H new ATOM 0 HD2 LYS A 302 17.617 -8.121 19.950 1.00 25.00 H new ATOM 0 HD3 LYS A 302 19.111 -8.571 20.746 1.00 25.00 H new ATOM 0 HE2 LYS A 302 19.457 -6.135 21.366 1.00 25.00 H new ATOM 0 HE3 LYS A 302 17.890 -5.771 20.670 1.00 25.00 H new ATOM 0 HZ1 LYS A 302 17.733 -6.076 23.073 1.00 25.00 H new ATOM 0 HZ2 LYS A 302 16.853 -7.293 22.280 1.00 25.00 H new ATOM 0 HZ3 LYS A 302 18.371 -7.645 22.954 1.00 25.00 H new HETATM 101 N SEP A 303 15.903 -6.627 15.463 1.00 25.00 N HETATM 102 CA SEP A 303 15.337 -5.936 14.278 1.00 25.00 C HETATM 103 CB SEP A 303 14.469 -6.928 13.495 1.00 25.00 C HETATM 104 OG SEP A 303 14.466 -6.576 12.135 1.00 25.00 O HETATM 105 C SEP A 303 14.506 -4.710 14.658 1.00 25.00 C HETATM 106 O SEP A 303 14.023 -4.605 15.801 1.00 25.00 O HETATM 107 P SEP A 303 15.446 -7.312 11.101 1.00 25.00 P HETATM 108 O1P SEP A 303 14.972 -6.873 9.781 1.00 25.00 O HETATM 109 O2P SEP A 303 16.789 -6.808 11.454 1.00 25.00 O HETATM 110 O3P SEP A 303 15.257 -8.748 11.370 1.00 25.00 O HETATM 0 HB3 SEP A 303 14.853 -7.940 13.619 1.00 25.00 H new HETATM 0 HB2 SEP A 303 13.451 -6.924 13.885 1.00 25.00 H new HETATM 0 HA SEP A 303 16.167 -5.582 13.667 1.00 25.00 H new HETATM 0 H SEP A 303 15.684 -7.608 15.634 1.00 25.00 H new ATOM 115 N GLY A 304 14.369 -3.775 13.715 1.00 25.00 N ATOM 116 CA GLY A 304 13.614 -2.545 13.943 1.00 25.00 C ATOM 117 C GLY A 304 14.505 -1.543 14.638 1.00 25.00 C ATOM 118 O GLY A 304 14.795 -0.480 14.102 1.00 25.00 O ATOM 0 H GLY A 304 14.774 -3.849 12.782 1.00 25.00 H new ATOM 0 HA2 GLY A 304 13.259 -2.140 12.995 1.00 25.00 H new ATOM 0 HA3 GLY A 304 12.733 -2.751 14.551 1.00 25.00 H new ATOM 122 N LYS A 305 14.978 -1.896 15.826 1.00 25.00 N ATOM 123 CA LYS A 305 15.927 -1.050 16.543 1.00 25.00 C ATOM 124 C LYS A 305 17.206 -1.078 15.725 1.00 25.00 C ATOM 125 O LYS A 305 17.810 -0.043 15.472 1.00 25.00 O ATOM 126 CB LYS A 305 16.168 -1.564 17.971 1.00 25.00 C ATOM 127 CG LYS A 305 17.202 -0.751 18.784 1.00 25.00 C ATOM 128 CD LYS A 305 16.800 0.720 19.030 1.00 25.00 C ATOM 129 CE LYS A 305 15.601 0.851 19.977 1.00 25.00 C ATOM 130 NZ LYS A 305 15.260 2.297 20.226 1.00 25.00 N ATOM 0 H LYS A 305 14.723 -2.756 16.312 1.00 25.00 H new ATOM 0 HA LYS A 305 15.547 -0.034 16.653 1.00 25.00 H new ATOM 0 HB2 LYS A 305 15.220 -1.561 18.509 1.00 25.00 H new ATOM 0 HB3 LYS A 305 16.501 -2.600 17.918 1.00 25.00 H new ATOM 0 HG2 LYS A 305 17.356 -1.239 19.746 1.00 25.00 H new ATOM 0 HG3 LYS A 305 18.157 -0.772 18.259 1.00 25.00 H new ATOM 0 HD2 LYS A 305 17.649 1.260 19.448 1.00 25.00 H new ATOM 0 HD3 LYS A 305 16.560 1.192 18.077 1.00 25.00 H new ATOM 0 HE2 LYS A 305 14.739 0.340 19.549 1.00 25.00 H new ATOM 0 HE3 LYS A 305 15.826 0.359 20.923 1.00 25.00 H new ATOM 0 HZ1 LYS A 305 14.445 2.356 20.870 1.00 25.00 H new ATOM 0 HZ2 LYS A 305 16.076 2.777 20.656 1.00 25.00 H new ATOM 0 HZ3 LYS A 305 15.023 2.758 19.324 1.00 25.00 H new ATOM 144 N TYR A 306 17.593 -2.269 15.290 1.00 25.00 N ATOM 145 CA TYR A 306 18.736 -2.412 14.403 1.00 25.00 C ATOM 146 C TYR A 306 18.416 -1.801 13.047 1.00 25.00 C ATOM 147 O TYR A 306 19.223 -1.084 12.493 1.00 25.00 O ATOM 148 CB TYR A 306 19.097 -3.884 14.194 1.00 25.00 C ATOM 149 CG TYR A 306 20.021 -4.068 13.011 1.00 25.00 C ATOM 150 CD1 TYR A 306 21.370 -3.655 13.074 1.00 25.00 C ATOM 151 CD2 TYR A 306 19.544 -4.632 11.807 1.00 25.00 C ATOM 152 CE1 TYR A 306 22.224 -3.794 11.945 1.00 25.00 C ATOM 153 CE2 TYR A 306 20.394 -4.761 10.680 1.00 25.00 C ATOM 154 CZ TYR A 306 21.722 -4.336 10.759 1.00 25.00 C ATOM 155 OH TYR A 306 22.539 -4.448 9.664 1.00 25.00 O ATOM 0 H TYR A 306 17.134 -3.146 15.536 1.00 25.00 H new ATOM 0 HA TYR A 306 19.579 -1.900 14.866 1.00 25.00 H new ATOM 0 HB2 TYR A 306 19.574 -4.273 15.093 1.00 25.00 H new ATOM 0 HB3 TYR A 306 18.187 -4.464 14.039 1.00 25.00 H new ATOM 0 HD1 TYR A 306 21.757 -3.230 13.988 1.00 25.00 H new ATOM 0 HD2 TYR A 306 18.520 -4.969 11.744 1.00 25.00 H new ATOM 0 HE1 TYR A 306 23.256 -3.482 12.004 1.00 25.00 H new ATOM 0 HE2 TYR A 306 20.016 -5.187 9.762 1.00 25.00 H new ATOM 0 HH TYR A 306 22.038 -4.845 8.921 1.00 25.00 H new ATOM 165 N LYS A 307 17.235 -2.076 12.508 1.00 25.00 N ATOM 166 CA LYS A 307 16.905 -1.580 11.169 1.00 25.00 C ATOM 167 C LYS A 307 16.998 -0.065 11.042 1.00 25.00 C ATOM 168 O LYS A 307 17.452 0.439 10.025 1.00 25.00 O ATOM 169 CB LYS A 307 15.533 -2.059 10.699 1.00 25.00 C ATOM 170 CG LYS A 307 15.489 -3.553 10.307 1.00 25.00 C ATOM 171 CD LYS A 307 16.439 -3.917 9.135 1.00 25.00 C ATOM 172 CE LYS A 307 16.082 -3.196 7.833 1.00 25.00 C ATOM 173 NZ LYS A 307 17.068 -3.524 6.759 1.00 25.00 N ATOM 0 H LYS A 307 16.503 -2.625 12.960 1.00 25.00 H new ATOM 0 HA LYS A 307 17.668 -2.007 10.518 1.00 25.00 H new ATOM 0 HB2 LYS A 307 14.806 -1.880 11.491 1.00 25.00 H new ATOM 0 HB3 LYS A 307 15.224 -1.460 9.842 1.00 25.00 H new ATOM 0 HG2 LYS A 307 15.751 -4.156 11.176 1.00 25.00 H new ATOM 0 HG3 LYS A 307 14.468 -3.818 10.032 1.00 25.00 H new ATOM 0 HD2 LYS A 307 17.463 -3.668 9.413 1.00 25.00 H new ATOM 0 HD3 LYS A 307 16.407 -4.994 8.969 1.00 25.00 H new ATOM 0 HE2 LYS A 307 15.080 -3.485 7.514 1.00 25.00 H new ATOM 0 HE3 LYS A 307 16.065 -2.119 8.001 1.00 25.00 H new ATOM 0 HZ1 LYS A 307 17.554 -2.655 6.456 1.00 25.00 H new ATOM 0 HZ2 LYS A 307 17.767 -4.202 7.125 1.00 25.00 H new ATOM 0 HZ3 LYS A 307 16.571 -3.943 5.947 1.00 25.00 H new ATOM 187 N LYS A 308 16.592 0.675 12.063 1.00 25.00 N ATOM 188 CA LYS A 308 16.693 2.128 12.000 1.00 25.00 C ATOM 189 C LYS A 308 18.136 2.621 12.005 1.00 25.00 C ATOM 190 O LYS A 308 18.393 3.735 11.575 1.00 25.00 O ATOM 191 CB LYS A 308 15.921 2.798 13.132 1.00 25.00 C ATOM 192 CG LYS A 308 15.176 4.025 12.628 1.00 25.00 C ATOM 193 CD LYS A 308 14.983 5.056 13.707 1.00 25.00 C ATOM 194 CE LYS A 308 14.249 6.270 13.132 1.00 25.00 C ATOM 195 NZ LYS A 308 14.272 7.448 14.061 1.00 25.00 N ATOM 0 H LYS A 308 16.198 0.305 12.928 1.00 25.00 H new ATOM 0 HA LYS A 308 16.245 2.411 11.047 1.00 25.00 H new ATOM 0 HB2 LYS A 308 15.214 2.090 13.564 1.00 25.00 H new ATOM 0 HB3 LYS A 308 16.609 3.086 13.926 1.00 25.00 H new ATOM 0 HG2 LYS A 308 15.728 4.468 11.799 1.00 25.00 H new ATOM 0 HG3 LYS A 308 14.204 3.723 12.238 1.00 25.00 H new ATOM 0 HD2 LYS A 308 14.412 4.631 14.532 1.00 25.00 H new ATOM 0 HD3 LYS A 308 15.949 5.360 14.111 1.00 25.00 H new ATOM 0 HE2 LYS A 308 14.706 6.551 12.183 1.00 25.00 H new ATOM 0 HE3 LYS A 308 13.215 5.999 12.920 1.00 25.00 H new ATOM 0 HZ1 LYS A 308 14.368 8.324 13.509 1.00 25.00 H new ATOM 0 HZ2 LYS A 308 13.387 7.478 14.606 1.00 25.00 H new ATOM 0 HZ3 LYS A 308 15.077 7.360 14.713 1.00 25.00 H new ATOM 209 N VAL A 309 19.075 1.818 12.492 1.00 25.00 N ATOM 210 CA VAL A 309 20.477 2.241 12.552 1.00 25.00 C ATOM 211 C VAL A 309 21.004 2.507 11.138 1.00 25.00 C ATOM 212 O VAL A 309 21.903 3.314 10.948 1.00 25.00 O ATOM 213 CB VAL A 309 21.379 1.203 13.324 1.00 25.00 C ATOM 214 CG1 VAL A 309 22.135 0.241 12.378 1.00 25.00 C ATOM 215 CG2 VAL A 309 22.387 1.933 14.211 1.00 25.00 C ATOM 0 H VAL A 309 18.898 0.879 12.849 1.00 25.00 H new ATOM 0 HA VAL A 309 20.526 3.169 13.121 1.00 25.00 H new ATOM 0 HB VAL A 309 20.704 0.602 13.933 1.00 25.00 H new ATOM 0 HG11 VAL A 309 22.739 -0.449 12.967 1.00 25.00 H new ATOM 0 HG12 VAL A 309 21.417 -0.323 11.782 1.00 25.00 H new ATOM 0 HG13 VAL A 309 22.783 0.816 11.717 1.00 25.00 H new ATOM 0 HG21 VAL A 309 23.003 1.204 14.738 1.00 25.00 H new ATOM 0 HG22 VAL A 309 23.023 2.567 13.593 1.00 25.00 H new ATOM 0 HG23 VAL A 309 21.855 2.549 14.935 1.00 25.00 H new ATOM 225 N GLU A 310 20.424 1.840 10.150 1.00 25.00 N ATOM 226 CA GLU A 310 20.845 1.991 8.761 1.00 25.00 C ATOM 227 C GLU A 310 20.594 3.424 8.268 1.00 25.00 C ATOM 228 O GLU A 310 21.491 4.073 7.740 1.00 25.00 O ATOM 229 CB GLU A 310 20.092 0.965 7.897 1.00 25.00 C ATOM 230 CG GLU A 310 20.359 -0.498 8.333 1.00 25.00 C ATOM 231 CD GLU A 310 19.478 -1.518 7.613 1.00 25.00 C ATOM 232 OE1 GLU A 310 18.664 -1.133 6.749 1.00 25.00 O ATOM 233 OE2 GLU A 310 19.589 -2.730 7.926 1.00 25.00 O ATOM 0 H GLU A 310 19.655 1.184 10.285 1.00 25.00 H new ATOM 0 HA GLU A 310 21.916 1.806 8.682 1.00 25.00 H new ATOM 0 HB2 GLU A 310 19.022 1.166 7.952 1.00 25.00 H new ATOM 0 HB3 GLU A 310 20.387 1.088 6.855 1.00 25.00 H new ATOM 0 HG2 GLU A 310 21.406 -0.739 8.148 1.00 25.00 H new ATOM 0 HG3 GLU A 310 20.197 -0.584 9.407 1.00 25.00 H new ATOM 240 N ILE A 311 19.380 3.929 8.462 1.00 25.00 N ATOM 241 CA ILE A 311 19.051 5.299 8.044 1.00 25.00 C ATOM 242 C ILE A 311 19.628 6.310 9.059 1.00 25.00 C ATOM 243 O ILE A 311 19.836 7.477 8.746 1.00 25.00 O ATOM 244 CB ILE A 311 17.502 5.464 7.813 1.00 25.00 C ATOM 245 CG1 ILE A 311 17.196 6.766 7.049 1.00 25.00 C ATOM 246 CG2 ILE A 311 16.721 5.437 9.119 1.00 25.00 C ATOM 247 CD1 ILE A 311 15.721 6.888 6.568 1.00 25.00 C ATOM 0 H ILE A 311 18.611 3.422 8.900 1.00 25.00 H new ATOM 0 HA ILE A 311 19.518 5.508 7.082 1.00 25.00 H new ATOM 0 HB ILE A 311 17.182 4.612 7.213 1.00 25.00 H new ATOM 0 HG12 ILE A 311 17.429 7.615 7.692 1.00 25.00 H new ATOM 0 HG13 ILE A 311 17.856 6.831 6.184 1.00 25.00 H new ATOM 0 HG21 ILE A 311 15.658 5.554 8.910 1.00 25.00 H new ATOM 0 HG22 ILE A 311 16.889 4.486 9.624 1.00 25.00 H new ATOM 0 HG23 ILE A 311 17.056 6.252 9.760 1.00 25.00 H new ATOM 0 HD11 ILE A 311 15.588 7.832 6.039 1.00 25.00 H new ATOM 0 HD12 ILE A 311 15.487 6.061 5.898 1.00 25.00 H new ATOM 0 HD13 ILE A 311 15.054 6.857 7.429 1.00 25.00 H new ATOM 259 N LYS A 312 19.918 5.857 10.272 1.00 25.00 N ATOM 260 CA LYS A 312 20.544 6.722 11.281 1.00 25.00 C ATOM 261 C LYS A 312 21.946 7.087 10.837 1.00 25.00 C ATOM 262 O LYS A 312 22.352 8.239 10.963 1.00 25.00 O ATOM 263 CB LYS A 312 20.557 6.031 12.651 1.00 25.00 C ATOM 264 CG LYS A 312 21.352 6.750 13.742 1.00 25.00 C ATOM 265 CD LYS A 312 22.740 6.116 13.878 1.00 25.00 C ATOM 266 CE LYS A 312 23.602 6.808 14.908 1.00 25.00 C ATOM 267 NZ LYS A 312 24.953 6.154 14.927 1.00 25.00 N ATOM 0 H LYS A 312 19.734 4.904 10.586 1.00 25.00 H new ATOM 0 HA LYS A 312 19.962 7.638 11.381 1.00 25.00 H new ATOM 0 HB2 LYS A 312 19.528 5.917 12.991 1.00 25.00 H new ATOM 0 HB3 LYS A 312 20.966 5.028 12.529 1.00 25.00 H new ATOM 0 HG2 LYS A 312 21.448 7.808 13.497 1.00 25.00 H new ATOM 0 HG3 LYS A 312 20.820 6.690 14.692 1.00 25.00 H new ATOM 0 HD2 LYS A 312 22.630 5.066 14.150 1.00 25.00 H new ATOM 0 HD3 LYS A 312 23.243 6.144 12.912 1.00 25.00 H new ATOM 0 HE2 LYS A 312 23.699 7.867 14.669 1.00 25.00 H new ATOM 0 HE3 LYS A 312 23.138 6.745 15.892 1.00 25.00 H new ATOM 0 HZ1 LYS A 312 25.484 6.478 15.760 1.00 25.00 H new ATOM 0 HZ2 LYS A 312 24.838 5.121 14.970 1.00 25.00 H new ATOM 0 HZ3 LYS A 312 25.474 6.409 14.064 1.00 25.00 H new ATOM 281 N GLU A 313 22.681 6.120 10.311 1.00 25.00 N ATOM 282 CA GLU A 313 24.040 6.375 9.841 1.00 25.00 C ATOM 283 C GLU A 313 24.005 7.203 8.558 1.00 25.00 C ATOM 284 O GLU A 313 24.945 7.929 8.256 1.00 25.00 O ATOM 285 CB GLU A 313 24.782 5.053 9.633 1.00 25.00 C ATOM 286 CG GLU A 313 26.075 4.963 10.447 1.00 25.00 C ATOM 287 CD GLU A 313 25.842 5.150 11.948 1.00 25.00 C ATOM 288 OE1 GLU A 313 25.189 4.297 12.592 1.00 25.00 O ATOM 289 OE2 GLU A 313 26.312 6.174 12.496 1.00 25.00 O ATOM 0 H GLU A 313 22.365 5.157 10.198 1.00 25.00 H new ATOM 0 HA GLU A 313 24.580 6.947 10.595 1.00 25.00 H new ATOM 0 HB2 GLU A 313 24.127 4.227 9.908 1.00 25.00 H new ATOM 0 HB3 GLU A 313 25.016 4.935 8.575 1.00 25.00 H new ATOM 0 HG2 GLU A 313 26.542 3.993 10.274 1.00 25.00 H new ATOM 0 HG3 GLU A 313 26.775 5.721 10.095 1.00 25.00 H new ATOM 296 N LEU A 314 22.898 7.117 7.829 1.00 25.00 N ATOM 297 CA LEU A 314 22.689 7.930 6.626 1.00 25.00 C ATOM 298 C LEU A 314 22.307 9.366 7.006 1.00 25.00 C ATOM 299 O LEU A 314 22.210 10.240 6.154 1.00 25.00 O ATOM 300 CB LEU A 314 21.591 7.308 5.749 1.00 25.00 C ATOM 301 CG LEU A 314 21.929 7.037 4.270 1.00 25.00 C ATOM 302 CD1 LEU A 314 22.185 8.325 3.493 1.00 25.00 C ATOM 303 CD2 LEU A 314 23.130 6.090 4.131 1.00 25.00 C ATOM 0 H LEU A 314 22.124 6.490 8.048 1.00 25.00 H new ATOM 0 HA LEU A 314 23.621 7.956 6.062 1.00 25.00 H new ATOM 0 HB2 LEU A 314 21.292 6.364 6.204 1.00 25.00 H new ATOM 0 HB3 LEU A 314 20.723 7.966 5.780 1.00 25.00 H new ATOM 0 HG LEU A 314 21.053 6.553 3.838 1.00 25.00 H new ATOM 0 HD11 LEU A 314 22.419 8.084 2.456 1.00 25.00 H new ATOM 0 HD12 LEU A 314 21.295 8.954 3.527 1.00 25.00 H new ATOM 0 HD13 LEU A 314 23.024 8.859 3.940 1.00 25.00 H new ATOM 0 HD21 LEU A 314 23.340 5.921 3.075 1.00 25.00 H new ATOM 0 HD22 LEU A 314 24.003 6.537 4.608 1.00 25.00 H new ATOM 0 HD23 LEU A 314 22.901 5.139 4.612 1.00 25.00 H new ATOM 315 N GLY A 315 22.113 9.608 8.296 1.00 25.00 N ATOM 316 CA GLY A 315 21.816 10.946 8.777 1.00 25.00 C ATOM 317 C GLY A 315 20.367 11.320 9.033 1.00 25.00 C ATOM 318 O GLY A 315 20.040 12.494 8.929 1.00 25.00 O ATOM 0 H GLY A 315 22.156 8.895 9.025 1.00 25.00 H new ATOM 0 HA2 GLY A 315 22.365 11.093 9.707 1.00 25.00 H new ATOM 0 HA3 GLY A 315 22.218 11.655 8.053 1.00 25.00 H new ATOM 322 N GLU A 316 19.495 10.388 9.407 1.00 25.00 N ATOM 323 CA GLU A 316 18.094 10.747 9.737 1.00 25.00 C ATOM 324 C GLU A 316 18.029 11.753 10.891 1.00 25.00 C ATOM 325 O GLU A 316 17.044 12.462 11.065 1.00 25.00 O ATOM 326 CB GLU A 316 17.258 9.508 10.096 1.00 25.00 C ATOM 327 CG GLU A 316 17.655 8.802 11.413 1.00 25.00 C ATOM 328 CD GLU A 316 16.611 8.872 12.534 1.00 25.00 C ATOM 329 OE1 GLU A 316 15.482 9.358 12.328 1.00 25.00 O ATOM 330 OE2 GLU A 316 16.933 8.394 13.649 1.00 25.00 O ATOM 0 H GLU A 316 19.714 9.395 9.492 1.00 25.00 H new ATOM 0 HA GLU A 316 17.674 11.206 8.842 1.00 25.00 H new ATOM 0 HB2 GLU A 316 16.211 9.803 10.163 1.00 25.00 H new ATOM 0 HB3 GLU A 316 17.335 8.789 9.280 1.00 25.00 H new ATOM 0 HG2 GLU A 316 17.862 7.754 11.196 1.00 25.00 H new ATOM 0 HG3 GLU A 316 18.584 9.242 11.776 1.00 25.00 H new ATOM 337 N LEU A 317 19.102 11.826 11.664 1.00 25.00 N ATOM 338 CA LEU A 317 19.208 12.770 12.775 1.00 25.00 C ATOM 339 C LEU A 317 19.287 14.210 12.247 1.00 25.00 C ATOM 340 O LEU A 317 18.963 15.164 12.947 1.00 25.00 O ATOM 341 CB LEU A 317 20.459 12.443 13.598 1.00 25.00 C ATOM 342 CG LEU A 317 20.565 11.021 14.139 1.00 25.00 C ATOM 343 CD1 LEU A 317 21.969 10.909 14.664 1.00 25.00 C ATOM 344 CD2 LEU A 317 19.546 10.773 15.228 1.00 25.00 C ATOM 0 H LEU A 317 19.924 11.235 11.542 1.00 25.00 H new ATOM 0 HA LEU A 317 18.323 12.683 13.406 1.00 25.00 H new ATOM 0 HB2 LEU A 317 21.335 12.639 12.980 1.00 25.00 H new ATOM 0 HB3 LEU A 317 20.503 13.133 14.441 1.00 25.00 H new ATOM 0 HG LEU A 317 20.360 10.275 13.371 1.00 25.00 H new ATOM 0 HD11 LEU A 317 22.126 9.911 15.072 1.00 25.00 H new ATOM 0 HD12 LEU A 317 22.676 11.085 13.853 1.00 25.00 H new ATOM 0 HD13 LEU A 317 22.125 11.650 15.448 1.00 25.00 H new ATOM 0 HD21 LEU A 317 19.646 9.751 15.594 1.00 25.00 H new ATOM 0 HD22 LEU A 317 19.714 11.470 16.049 1.00 25.00 H new ATOM 0 HD23 LEU A 317 18.543 10.918 14.827 1.00 25.00 H new ATOM 356 N ARG A 318 19.713 14.339 10.995 1.00 25.00 N ATOM 357 CA ARG A 318 19.812 15.627 10.296 1.00 25.00 C ATOM 358 C ARG A 318 18.617 15.788 9.367 1.00 25.00 C ATOM 359 O ARG A 318 18.464 16.821 8.733 1.00 25.00 O ATOM 360 CB ARG A 318 21.052 15.651 9.402 1.00 25.00 C ATOM 361 CG ARG A 318 22.368 15.315 10.069 1.00 25.00 C ATOM 362 CD ARG A 318 23.441 15.207 8.989 1.00 25.00 C ATOM 363 NE ARG A 318 24.740 14.754 9.516 1.00 25.00 N ATOM 364 CZ ARG A 318 25.685 15.546 10.008 1.00 25.00 C ATOM 365 NH1 ARG A 318 25.547 16.848 10.079 1.00 25.00 N ATOM 366 NH2 ARG A 318 26.798 15.013 10.433 1.00 25.00 N ATOM 0 H ARG A 318 20.004 13.545 10.425 1.00 25.00 H new ATOM 0 HA ARG A 318 19.855 16.416 11.047 1.00 25.00 H new ATOM 0 HB2 ARG A 318 20.896 14.950 8.582 1.00 25.00 H new ATOM 0 HB3 ARG A 318 21.136 16.644 8.961 1.00 25.00 H new ATOM 0 HG2 ARG A 318 22.634 16.086 10.793 1.00 25.00 H new ATOM 0 HG3 ARG A 318 22.286 14.377 10.618 1.00 25.00 H new ATOM 0 HD2 ARG A 318 23.105 14.513 8.218 1.00 25.00 H new ATOM 0 HD3 ARG A 318 23.567 16.178 8.511 1.00 25.00 H new ATOM 0 HE ARG A 318 24.928 13.752 9.502 1.00 25.00 H new ATOM 0 HH11 ARG A 318 24.688 17.289 9.749 1.00 25.00 H new ATOM 0 HH12 ARG A 318 26.298 17.420 10.464 1.00 25.00 H new ATOM 0 HH21 ARG A 318 26.931 14.003 10.384 1.00 25.00 H new ATOM 0 HH22 ARG A 318 27.535 15.607 10.814 1.00 25.00 H new ATOM 380 N LYS A 319 17.813 14.725 9.312 1.00 25.00 N ATOM 381 CA LYS A 319 16.640 14.537 8.424 1.00 25.00 C ATOM 382 C LYS A 319 17.030 14.059 7.024 1.00 25.00 C ATOM 383 O LYS A 319 16.191 14.040 6.134 1.00 25.00 O ATOM 384 CB LYS A 319 15.727 15.772 8.332 1.00 25.00 C ATOM 385 CG LYS A 319 15.250 16.278 9.678 1.00 25.00 C ATOM 386 CD LYS A 319 14.322 17.468 9.505 1.00 25.00 C ATOM 387 CE LYS A 319 13.963 18.076 10.852 1.00 25.00 C ATOM 388 NZ LYS A 319 13.294 17.068 11.742 1.00 25.00 N ATOM 0 H LYS A 319 17.963 13.918 9.918 1.00 25.00 H new ATOM 0 HA LYS A 319 16.062 13.748 8.905 1.00 25.00 H new ATOM 0 HB2 LYS A 319 16.263 16.572 7.822 1.00 25.00 H new ATOM 0 HB3 LYS A 319 14.860 15.527 7.718 1.00 25.00 H new ATOM 0 HG2 LYS A 319 14.731 15.480 10.209 1.00 25.00 H new ATOM 0 HG3 LYS A 319 16.106 16.564 10.289 1.00 25.00 H new ATOM 0 HD2 LYS A 319 14.801 18.220 8.878 1.00 25.00 H new ATOM 0 HD3 LYS A 319 13.414 17.155 8.989 1.00 25.00 H new ATOM 0 HE2 LYS A 319 14.864 18.451 11.336 1.00 25.00 H new ATOM 0 HE3 LYS A 319 13.302 18.930 10.704 1.00 25.00 H new ATOM 0 HZ1 LYS A 319 12.895 17.549 12.573 1.00 25.00 H new ATOM 0 HZ2 LYS A 319 12.531 16.594 11.217 1.00 25.00 H new ATOM 0 HZ3 LYS A 319 13.992 16.362 12.053 1.00 25.00 H new ATOM 402 N GLU A 320 18.277 13.650 6.836 1.00 25.00 N ATOM 403 CA GLU A 320 18.708 13.084 5.554 1.00 25.00 C ATOM 404 C GLU A 320 18.174 11.642 5.467 1.00 25.00 C ATOM 405 O GLU A 320 18.506 10.801 6.312 1.00 25.00 O ATOM 406 CB GLU A 320 20.237 13.059 5.437 1.00 25.00 C ATOM 407 CG GLU A 320 20.816 14.188 4.589 1.00 25.00 C ATOM 408 CD GLU A 320 20.927 15.503 5.345 1.00 25.00 C ATOM 409 OE1 GLU A 320 21.763 15.592 6.275 1.00 25.00 O ATOM 410 OE2 GLU A 320 20.192 16.454 5.007 1.00 25.00 O ATOM 0 H GLU A 320 19.008 13.697 7.546 1.00 25.00 H new ATOM 0 HA GLU A 320 18.319 13.702 4.745 1.00 25.00 H new ATOM 0 HB2 GLU A 320 20.668 13.112 6.437 1.00 25.00 H new ATOM 0 HB3 GLU A 320 20.542 12.104 5.009 1.00 25.00 H new ATOM 0 HG2 GLU A 320 21.804 13.896 4.231 1.00 25.00 H new ATOM 0 HG3 GLU A 320 20.189 14.333 3.710 1.00 25.00 H new ATOM 417 N PRO A 321 17.324 11.337 4.468 1.00 25.00 N ATOM 418 CA PRO A 321 16.804 9.966 4.392 1.00 25.00 C ATOM 419 C PRO A 321 17.674 8.998 3.576 1.00 25.00 C ATOM 420 O PRO A 321 18.522 9.414 2.794 1.00 25.00 O ATOM 421 CB PRO A 321 15.468 10.176 3.690 1.00 25.00 C ATOM 422 CG PRO A 321 15.767 11.260 2.702 1.00 25.00 C ATOM 423 CD PRO A 321 16.764 12.178 3.389 1.00 25.00 C ATOM 0 HA PRO A 321 16.758 9.503 5.378 1.00 25.00 H new ATOM 0 HB2 PRO A 321 15.124 9.266 3.198 1.00 25.00 H new ATOM 0 HB3 PRO A 321 14.688 10.474 4.390 1.00 25.00 H new ATOM 0 HG2 PRO A 321 16.183 10.848 1.783 1.00 25.00 H new ATOM 0 HG3 PRO A 321 14.861 11.801 2.428 1.00 25.00 H new ATOM 0 HD2 PRO A 321 17.539 12.515 2.701 1.00 25.00 H new ATOM 0 HD3 PRO A 321 16.280 13.070 3.786 1.00 25.00 H new ATOM 431 N SER A 322 17.442 7.700 3.745 1.00 25.00 N ATOM 432 CA SER A 322 18.126 6.677 2.940 1.00 25.00 C ATOM 433 C SER A 322 17.238 6.192 1.793 1.00 25.00 C ATOM 434 O SER A 322 17.478 5.121 1.233 1.00 25.00 O ATOM 435 CB SER A 322 18.475 5.469 3.809 1.00 25.00 C ATOM 436 OG SER A 322 17.294 4.834 4.273 1.00 25.00 O ATOM 0 H SER A 322 16.787 7.325 4.431 1.00 25.00 H new ATOM 0 HA SER A 322 19.030 7.132 2.535 1.00 25.00 H new ATOM 0 HB2 SER A 322 19.074 4.762 3.235 1.00 25.00 H new ATOM 0 HB3 SER A 322 19.082 5.787 4.657 1.00 25.00 H new ATOM 0 HG SER A 322 17.534 4.062 4.826 1.00 25.00 H new ATOM 442 N LEU A 323 16.205 6.960 1.471 1.00 25.00 N ATOM 443 CA LEU A 323 15.219 6.585 0.458 1.00 25.00 C ATOM 444 C LEU A 323 14.528 7.851 -0.021 1.00 25.00 C ATOM 445 O LEU A 323 13.823 7.810 -1.047 1.00 25.00 O ATOM 446 CB LEU A 323 14.186 5.621 1.063 1.00 25.00 C ATOM 447 CG LEU A 323 13.381 6.145 2.247 1.00 25.00 C ATOM 448 CD1 LEU A 323 11.951 6.342 1.804 1.00 25.00 C ATOM 449 CD2 LEU A 323 13.477 5.116 3.351 1.00 25.00 C ATOM 450 OXT LEU A 323 14.708 8.875 0.667 1.00 25.00 O ATOM 0 H LEU A 323 16.024 7.865 1.905 1.00 25.00 H new ATOM 0 HA LEU A 323 15.709 6.084 -0.377 1.00 25.00 H new ATOM 0 HB2 LEU A 323 13.488 5.331 0.277 1.00 25.00 H new ATOM 0 HB3 LEU A 323 14.706 4.716 1.377 1.00 25.00 H new ATOM 0 HG LEU A 323 13.761 7.100 2.610 1.00 25.00 H new ATOM 0 HD11 LEU A 323 11.360 6.717 2.639 1.00 25.00 H new ATOM 0 HD12 LEU A 323 11.919 7.061 0.985 1.00 25.00 H new ATOM 0 HD13 LEU A 323 11.540 5.390 1.467 1.00 25.00 H new ATOM 0 HD21 LEU A 323 12.911 5.458 4.217 1.00 25.00 H new ATOM 0 HD22 LEU A 323 13.068 4.168 3.001 1.00 25.00 H new ATOM 0 HD23 LEU A 323 14.522 4.979 3.631 1.00 25.00 H new TER 462 LEU A 323