USER MOD reduce.3.24.130724 H: found=0, std=0, add=208, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 210 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 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+ 180:sc= 0.935 (180deg=0.935) USER MOD Single : A 308 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 312 LYS NZ :NH3+ -177:sc= 0.239 (180deg=0.236) USER MOD Single : A 319 LYS NZ :NH3+ -165:sc= 0.0829 (180deg=-0.236) USER MOD Single : A 322 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N ARG A 300 17.724 -12.698 13.416 1.00 25.00 N ATOM 32 CA ARG A 300 19.178 -12.827 13.535 1.00 25.00 C ATOM 33 C ARG A 300 19.835 -11.454 13.630 1.00 25.00 C ATOM 34 O ARG A 300 20.711 -11.256 14.462 1.00 25.00 O ATOM 35 CB ARG A 300 19.752 -13.632 12.360 1.00 25.00 C ATOM 36 CG ARG A 300 21.195 -14.116 12.586 1.00 25.00 C ATOM 37 CD ARG A 300 21.261 -15.231 13.642 1.00 25.00 C ATOM 38 NE ARG A 300 22.645 -15.684 13.880 1.00 25.00 N ATOM 39 CZ ARG A 300 23.006 -16.611 14.763 1.00 25.00 C ATOM 40 NH1 ARG A 300 22.138 -17.235 15.522 1.00 25.00 N ATOM 41 NH2 ARG A 300 24.269 -16.915 14.885 1.00 25.00 N ATOM 0 HA ARG A 300 19.398 -13.371 14.454 1.00 25.00 H new ATOM 0 HB2 ARG A 300 19.113 -14.496 12.177 1.00 25.00 H new ATOM 0 HB3 ARG A 300 19.721 -13.017 11.461 1.00 25.00 H new ATOM 0 HG2 ARG A 300 21.608 -14.480 11.646 1.00 25.00 H new ATOM 0 HG3 ARG A 300 21.815 -13.277 12.903 1.00 25.00 H new ATOM 0 HD2 ARG A 300 20.831 -14.871 14.577 1.00 25.00 H new ATOM 0 HD3 ARG A 300 20.654 -16.076 13.316 1.00 25.00 H new ATOM 0 HE ARG A 300 23.383 -15.252 13.324 1.00 25.00 H new ATOM 0 HH11 ARG A 300 21.145 -17.016 15.447 1.00 25.00 H new ATOM 0 HH12 ARG A 300 22.456 -17.940 16.187 1.00 25.00 H new ATOM 0 HH21 ARG A 300 24.965 -16.444 14.307 1.00 25.00 H new ATOM 0 HH22 ARG A 300 24.560 -17.624 15.558 1.00 25.00 H new ATOM 55 N ARG A 301 19.401 -10.500 12.807 1.00 25.00 N ATOM 56 CA ARG A 301 19.939 -9.131 12.881 1.00 25.00 C ATOM 57 C ARG A 301 19.324 -8.360 14.041 1.00 25.00 C ATOM 58 O ARG A 301 19.766 -7.266 14.353 1.00 25.00 O ATOM 59 CB ARG A 301 19.640 -8.339 11.612 1.00 25.00 C ATOM 60 CG ARG A 301 20.204 -8.911 10.329 1.00 25.00 C ATOM 61 CD ARG A 301 19.994 -7.881 9.236 1.00 25.00 C ATOM 62 NE ARG A 301 20.291 -8.389 7.885 1.00 25.00 N ATOM 63 CZ ARG A 301 19.386 -8.681 6.953 1.00 25.00 C ATOM 64 NH1 ARG A 301 18.098 -8.552 7.139 1.00 25.00 N ATOM 65 NH2 ARG A 301 19.795 -9.108 5.789 1.00 25.00 N ATOM 0 H ARG A 301 18.689 -10.640 12.090 1.00 25.00 H new ATOM 0 HA ARG A 301 21.015 -9.238 13.015 1.00 25.00 H new ATOM 0 HB2 ARG A 301 18.558 -8.255 11.505 1.00 25.00 H new ATOM 0 HB3 ARG A 301 20.027 -7.328 11.738 1.00 25.00 H new ATOM 0 HG2 ARG A 301 21.264 -9.136 10.444 1.00 25.00 H new ATOM 0 HG3 ARG A 301 19.705 -9.846 10.075 1.00 25.00 H new ATOM 0 HD2 ARG A 301 18.961 -7.536 9.267 1.00 25.00 H new ATOM 0 HD3 ARG A 301 20.625 -7.016 9.437 1.00 25.00 H new ATOM 0 HE ARG A 301 21.272 -8.529 7.644 1.00 25.00 H new ATOM 0 HH11 ARG A 301 17.743 -8.213 8.033 1.00 25.00 H new ATOM 0 HH12 ARG A 301 17.448 -8.790 6.390 1.00 25.00 H new ATOM 0 HH21 ARG A 301 20.793 -9.213 5.606 1.00 25.00 H new ATOM 0 HH22 ARG A 301 19.117 -9.337 5.063 1.00 25.00 H new ATOM 79 N LYS A 302 18.294 -8.945 14.655 1.00 25.00 N ATOM 80 CA LYS A 302 17.542 -8.323 15.763 1.00 25.00 C ATOM 81 C LYS A 302 16.915 -7.031 15.231 1.00 25.00 C ATOM 82 O LYS A 302 16.979 -5.962 15.855 1.00 25.00 O ATOM 83 CB LYS A 302 18.439 -8.085 16.989 1.00 25.00 C ATOM 84 CG LYS A 302 19.131 -9.362 17.474 1.00 25.00 C ATOM 85 CD LYS A 302 20.091 -9.087 18.620 1.00 25.00 C ATOM 86 CE LYS A 302 20.853 -10.360 18.987 1.00 25.00 C ATOM 87 NZ LYS A 302 21.844 -10.127 20.097 1.00 25.00 N ATOM 0 H LYS A 302 17.950 -9.871 14.400 1.00 25.00 H new ATOM 0 HA LYS A 302 16.753 -8.990 16.110 1.00 25.00 H new ATOM 0 HB2 LYS A 302 19.194 -7.339 16.742 1.00 25.00 H new ATOM 0 HB3 LYS A 302 17.838 -7.673 17.799 1.00 25.00 H new ATOM 0 HG2 LYS A 302 18.379 -10.083 17.796 1.00 25.00 H new ATOM 0 HG3 LYS A 302 19.675 -9.817 16.646 1.00 25.00 H new ATOM 0 HD2 LYS A 302 20.793 -8.303 18.336 1.00 25.00 H new ATOM 0 HD3 LYS A 302 19.540 -8.722 19.486 1.00 25.00 H new ATOM 0 HE2 LYS A 302 20.145 -11.131 19.290 1.00 25.00 H new ATOM 0 HE3 LYS A 302 21.376 -10.735 18.107 1.00 25.00 H new ATOM 0 HZ1 LYS A 302 22.338 -11.016 20.314 1.00 25.00 H new ATOM 0 HZ2 LYS A 302 22.536 -9.410 19.800 1.00 25.00 H new ATOM 0 HZ3 LYS A 302 21.343 -9.794 20.945 1.00 25.00 H new ATOM 115 N GLY A 304 14.699 -3.993 13.137 1.00 25.00 N ATOM 116 CA GLY A 304 13.750 -2.987 13.614 1.00 25.00 C ATOM 117 C GLY A 304 14.385 -2.124 14.680 1.00 25.00 C ATOM 118 O GLY A 304 14.353 -0.895 14.618 1.00 25.00 O ATOM 0 HA2 GLY A 304 13.422 -2.365 12.782 1.00 25.00 H new ATOM 0 HA3 GLY A 304 12.863 -3.477 14.015 1.00 25.00 H new ATOM 122 N LYS A 305 15.005 -2.771 15.659 1.00 25.00 N ATOM 123 CA LYS A 305 15.714 -2.055 16.717 1.00 25.00 C ATOM 124 C LYS A 305 16.883 -1.347 16.057 1.00 25.00 C ATOM 125 O LYS A 305 17.134 -0.169 16.294 1.00 25.00 O ATOM 126 CB LYS A 305 16.226 -3.031 17.782 1.00 25.00 C ATOM 127 CG LYS A 305 15.121 -3.840 18.455 1.00 25.00 C ATOM 128 CD LYS A 305 15.706 -4.820 19.466 1.00 25.00 C ATOM 129 CE LYS A 305 14.640 -5.780 20.004 1.00 25.00 C ATOM 130 NZ LYS A 305 13.547 -5.072 20.766 1.00 25.00 N ATOM 0 H LYS A 305 15.032 -3.787 15.744 1.00 25.00 H new ATOM 0 HA LYS A 305 15.051 -1.347 17.214 1.00 25.00 H new ATOM 0 HB2 LYS A 305 16.937 -3.717 17.322 1.00 25.00 H new ATOM 0 HB3 LYS A 305 16.770 -2.472 18.543 1.00 25.00 H new ATOM 0 HG2 LYS A 305 14.425 -3.167 18.955 1.00 25.00 H new ATOM 0 HG3 LYS A 305 14.552 -4.384 17.701 1.00 25.00 H new ATOM 0 HD2 LYS A 305 16.508 -5.391 18.998 1.00 25.00 H new ATOM 0 HD3 LYS A 305 16.150 -4.267 20.294 1.00 25.00 H new ATOM 0 HE2 LYS A 305 14.199 -6.330 19.172 1.00 25.00 H new ATOM 0 HE3 LYS A 305 15.114 -6.514 20.656 1.00 25.00 H new ATOM 0 HZ1 LYS A 305 12.854 -5.769 21.107 1.00 25.00 H new ATOM 0 HZ2 LYS A 305 13.959 -4.569 21.577 1.00 25.00 H new ATOM 0 HZ3 LYS A 305 13.073 -4.390 20.140 1.00 25.00 H new ATOM 144 N TYR A 306 17.576 -2.093 15.211 1.00 25.00 N ATOM 145 CA TYR A 306 18.715 -1.576 14.467 1.00 25.00 C ATOM 146 C TYR A 306 18.315 -0.855 13.191 1.00 25.00 C ATOM 147 O TYR A 306 19.107 -0.109 12.667 1.00 25.00 O ATOM 148 CB TYR A 306 19.672 -2.712 14.120 1.00 25.00 C ATOM 149 CG TYR A 306 20.422 -3.220 15.330 1.00 25.00 C ATOM 150 CD1 TYR A 306 21.517 -2.498 15.847 1.00 25.00 C ATOM 151 CD2 TYR A 306 20.044 -4.416 15.972 1.00 25.00 C ATOM 152 CE1 TYR A 306 22.219 -2.959 16.991 1.00 25.00 C ATOM 153 CE2 TYR A 306 20.742 -4.877 17.120 1.00 25.00 C ATOM 154 CZ TYR A 306 21.823 -4.141 17.616 1.00 25.00 C ATOM 155 OH TYR A 306 22.498 -4.582 18.726 1.00 25.00 O ATOM 0 H TYR A 306 17.366 -3.073 15.021 1.00 25.00 H new ATOM 0 HA TYR A 306 19.203 -0.848 15.115 1.00 25.00 H new ATOM 0 HB2 TYR A 306 19.111 -3.532 13.672 1.00 25.00 H new ATOM 0 HB3 TYR A 306 20.385 -2.367 13.371 1.00 25.00 H new ATOM 0 HD1 TYR A 306 21.826 -1.582 15.366 1.00 25.00 H new ATOM 0 HD2 TYR A 306 19.214 -4.989 15.587 1.00 25.00 H new ATOM 0 HE1 TYR A 306 23.057 -2.397 17.376 1.00 25.00 H new ATOM 0 HE2 TYR A 306 20.439 -5.792 17.608 1.00 25.00 H new ATOM 0 HH TYR A 306 22.097 -5.419 19.042 1.00 25.00 H new ATOM 165 N LYS A 307 17.100 -1.045 12.689 1.00 25.00 N ATOM 166 CA LYS A 307 16.708 -0.372 11.435 1.00 25.00 C ATOM 167 C LYS A 307 16.781 1.143 11.583 1.00 25.00 C ATOM 168 O LYS A 307 17.115 1.858 10.647 1.00 25.00 O ATOM 169 CB LYS A 307 15.317 -0.798 10.966 1.00 25.00 C ATOM 170 CG LYS A 307 15.311 -2.156 10.250 1.00 25.00 C ATOM 171 CD LYS A 307 15.871 -2.048 8.823 1.00 25.00 C ATOM 172 CE LYS A 307 15.870 -3.403 8.110 1.00 25.00 C ATOM 173 NZ LYS A 307 16.944 -4.316 8.629 1.00 25.00 N ATOM 0 H LYS A 307 16.383 -1.638 13.107 1.00 25.00 H new ATOM 0 HA LYS A 307 17.421 -0.682 10.671 1.00 25.00 H new ATOM 0 HB2 LYS A 307 14.649 -0.845 11.826 1.00 25.00 H new ATOM 0 HB3 LYS A 307 14.918 -0.038 10.294 1.00 25.00 H new ATOM 0 HG2 LYS A 307 15.904 -2.871 10.821 1.00 25.00 H new ATOM 0 HG3 LYS A 307 14.293 -2.544 10.213 1.00 25.00 H new ATOM 0 HD2 LYS A 307 15.276 -1.336 8.252 1.00 25.00 H new ATOM 0 HD3 LYS A 307 16.888 -1.657 8.860 1.00 25.00 H new ATOM 0 HE2 LYS A 307 14.898 -3.879 8.238 1.00 25.00 H new ATOM 0 HE3 LYS A 307 16.011 -3.249 7.040 1.00 25.00 H new ATOM 0 HZ1 LYS A 307 16.907 -5.221 8.118 1.00 25.00 H new ATOM 0 HZ2 LYS A 307 17.875 -3.875 8.484 1.00 25.00 H new ATOM 0 HZ3 LYS A 307 16.795 -4.485 9.644 1.00 25.00 H new ATOM 187 N LYS A 308 16.493 1.623 12.786 1.00 25.00 N ATOM 188 CA LYS A 308 16.590 3.052 13.095 1.00 25.00 C ATOM 189 C LYS A 308 18.032 3.541 12.961 1.00 25.00 C ATOM 190 O LYS A 308 18.276 4.687 12.617 1.00 25.00 O ATOM 191 CB LYS A 308 16.099 3.310 14.516 1.00 25.00 C ATOM 192 CG LYS A 308 14.619 2.974 14.715 1.00 25.00 C ATOM 193 CD LYS A 308 14.164 3.251 16.142 1.00 25.00 C ATOM 194 CE LYS A 308 14.681 2.187 17.115 1.00 25.00 C ATOM 195 NZ LYS A 308 14.232 2.482 18.516 1.00 25.00 N ATOM 0 H LYS A 308 16.189 1.045 13.569 1.00 25.00 H new ATOM 0 HA LYS A 308 15.968 3.597 12.385 1.00 25.00 H new ATOM 0 HB2 LYS A 308 16.695 2.720 15.212 1.00 25.00 H new ATOM 0 HB3 LYS A 308 16.263 4.358 14.765 1.00 25.00 H new ATOM 0 HG2 LYS A 308 14.017 3.560 14.021 1.00 25.00 H new ATOM 0 HG3 LYS A 308 14.449 1.924 14.476 1.00 25.00 H new ATOM 0 HD2 LYS A 308 14.519 4.233 16.454 1.00 25.00 H new ATOM 0 HD3 LYS A 308 13.075 3.280 16.178 1.00 25.00 H new ATOM 0 HE2 LYS A 308 14.319 1.204 16.812 1.00 25.00 H new ATOM 0 HE3 LYS A 308 15.770 2.152 17.077 1.00 25.00 H new ATOM 0 HZ1 LYS A 308 14.594 1.748 19.158 1.00 25.00 H new ATOM 0 HZ2 LYS A 308 14.598 3.410 18.810 1.00 25.00 H new ATOM 0 HZ3 LYS A 308 13.193 2.492 18.553 1.00 25.00 H new ATOM 209 N VAL A 309 18.979 2.662 13.240 1.00 25.00 N ATOM 210 CA VAL A 309 20.396 2.979 13.089 1.00 25.00 C ATOM 211 C VAL A 309 20.784 2.829 11.631 1.00 25.00 C ATOM 212 O VAL A 309 21.471 3.672 11.113 1.00 25.00 O ATOM 213 CB VAL A 309 21.285 2.067 13.985 1.00 25.00 C ATOM 214 CG1 VAL A 309 22.777 2.295 13.718 1.00 25.00 C ATOM 215 CG2 VAL A 309 20.989 2.368 15.443 1.00 25.00 C ATOM 0 H VAL A 309 18.794 1.716 13.575 1.00 25.00 H new ATOM 0 HA VAL A 309 20.560 4.007 13.411 1.00 25.00 H new ATOM 0 HB VAL A 309 21.054 1.028 13.750 1.00 25.00 H new ATOM 0 HG11 VAL A 309 23.366 1.641 14.361 1.00 25.00 H new ATOM 0 HG12 VAL A 309 22.998 2.072 12.674 1.00 25.00 H new ATOM 0 HG13 VAL A 309 23.030 3.334 13.928 1.00 25.00 H new ATOM 0 HG21 VAL A 309 21.607 1.734 16.078 1.00 25.00 H new ATOM 0 HG22 VAL A 309 21.210 3.415 15.651 1.00 25.00 H new ATOM 0 HG23 VAL A 309 19.937 2.172 15.649 1.00 25.00 H new ATOM 225 N GLU A 310 20.331 1.775 10.971 1.00 25.00 N ATOM 226 CA GLU A 310 20.673 1.523 9.567 1.00 25.00 C ATOM 227 C GLU A 310 20.322 2.730 8.679 1.00 25.00 C ATOM 228 O GLU A 310 21.159 3.206 7.913 1.00 25.00 O ATOM 229 CB GLU A 310 19.954 0.250 9.073 1.00 25.00 C ATOM 230 CG GLU A 310 20.455 -1.053 9.748 1.00 25.00 C ATOM 231 CD GLU A 310 19.499 -2.242 9.558 1.00 25.00 C ATOM 232 OE1 GLU A 310 19.335 -2.716 8.415 1.00 25.00 O ATOM 233 OE2 GLU A 310 18.899 -2.706 10.563 1.00 25.00 O ATOM 0 H GLU A 310 19.720 1.070 11.384 1.00 25.00 H new ATOM 0 HA GLU A 310 21.750 1.371 9.497 1.00 25.00 H new ATOM 0 HB2 GLU A 310 18.884 0.354 9.255 1.00 25.00 H new ATOM 0 HB3 GLU A 310 20.087 0.164 7.995 1.00 25.00 H new ATOM 0 HG2 GLU A 310 21.432 -1.313 9.341 1.00 25.00 H new ATOM 0 HG3 GLU A 310 20.592 -0.872 10.814 1.00 25.00 H new ATOM 240 N ILE A 311 19.103 3.244 8.797 1.00 25.00 N ATOM 241 CA ILE A 311 18.677 4.402 7.993 1.00 25.00 C ATOM 242 C ILE A 311 19.514 5.661 8.330 1.00 25.00 C ATOM 243 O ILE A 311 19.733 6.533 7.479 1.00 25.00 O ATOM 244 CB ILE A 311 17.125 4.667 8.186 1.00 25.00 C ATOM 245 CG1 ILE A 311 16.590 5.596 7.077 1.00 25.00 C ATOM 246 CG2 ILE A 311 16.818 5.234 9.591 1.00 25.00 C ATOM 247 CD1 ILE A 311 15.105 5.984 7.209 1.00 25.00 C ATOM 0 H ILE A 311 18.391 2.886 9.434 1.00 25.00 H new ATOM 0 HA ILE A 311 18.854 4.172 6.942 1.00 25.00 H new ATOM 0 HB ILE A 311 16.609 3.711 8.105 1.00 25.00 H new ATOM 0 HG12 ILE A 311 17.188 6.507 7.068 1.00 25.00 H new ATOM 0 HG13 ILE A 311 16.738 5.108 6.113 1.00 25.00 H new ATOM 0 HG21 ILE A 311 15.746 5.404 9.689 1.00 25.00 H new ATOM 0 HG22 ILE A 311 17.143 4.522 10.350 1.00 25.00 H new ATOM 0 HG23 ILE A 311 17.348 6.177 9.727 1.00 25.00 H new ATOM 0 HD11 ILE A 311 14.825 6.638 6.383 1.00 25.00 H new ATOM 0 HD12 ILE A 311 14.490 5.084 7.184 1.00 25.00 H new ATOM 0 HD13 ILE A 311 14.948 6.505 8.153 1.00 25.00 H new ATOM 259 N LYS A 312 19.988 5.759 9.568 1.00 25.00 N ATOM 260 CA LYS A 312 20.766 6.923 10.015 1.00 25.00 C ATOM 261 C LYS A 312 22.238 6.802 9.616 1.00 25.00 C ATOM 262 O LYS A 312 22.814 7.728 9.053 1.00 25.00 O ATOM 263 CB LYS A 312 20.647 7.052 11.551 1.00 25.00 C ATOM 264 CG LYS A 312 20.815 8.485 12.154 1.00 25.00 C ATOM 265 CD LYS A 312 22.138 9.214 11.817 1.00 25.00 C ATOM 266 CE LYS A 312 23.400 8.460 12.282 1.00 25.00 C ATOM 267 NZ LYS A 312 24.558 8.748 11.356 1.00 25.00 N ATOM 0 H LYS A 312 19.850 5.047 10.286 1.00 25.00 H new ATOM 0 HA LYS A 312 20.364 7.813 9.531 1.00 25.00 H new ATOM 0 HB2 LYS A 312 19.670 6.670 11.849 1.00 25.00 H new ATOM 0 HB3 LYS A 312 21.395 6.403 12.005 1.00 25.00 H new ATOM 0 HG2 LYS A 312 19.986 9.102 11.809 1.00 25.00 H new ATOM 0 HG3 LYS A 312 20.729 8.413 13.238 1.00 25.00 H new ATOM 0 HD2 LYS A 312 22.194 9.366 10.739 1.00 25.00 H new ATOM 0 HD3 LYS A 312 22.126 10.202 12.278 1.00 25.00 H new ATOM 0 HE2 LYS A 312 23.656 8.759 13.298 1.00 25.00 H new ATOM 0 HE3 LYS A 312 23.203 7.388 12.305 1.00 25.00 H new ATOM 0 HZ1 LYS A 312 25.386 8.193 11.653 1.00 25.00 H new ATOM 0 HZ2 LYS A 312 24.298 8.488 10.383 1.00 25.00 H new ATOM 0 HZ3 LYS A 312 24.789 9.761 11.393 1.00 25.00 H new ATOM 281 N GLU A 313 22.850 5.678 9.939 1.00 25.00 N ATOM 282 CA GLU A 313 24.275 5.461 9.705 1.00 25.00 C ATOM 283 C GLU A 313 24.641 5.455 8.228 1.00 25.00 C ATOM 284 O GLU A 313 25.646 6.043 7.844 1.00 25.00 O ATOM 285 CB GLU A 313 24.698 4.154 10.378 1.00 25.00 C ATOM 286 CG GLU A 313 26.201 3.997 10.518 1.00 25.00 C ATOM 287 CD GLU A 313 26.574 2.928 11.536 1.00 25.00 C ATOM 288 OE1 GLU A 313 25.766 2.003 11.764 1.00 25.00 O ATOM 289 OE2 GLU A 313 27.676 3.025 12.116 1.00 25.00 O ATOM 0 H GLU A 313 22.377 4.885 10.372 1.00 25.00 H new ATOM 0 HA GLU A 313 24.817 6.299 10.143 1.00 25.00 H new ATOM 0 HB2 GLU A 313 24.243 4.101 11.367 1.00 25.00 H new ATOM 0 HB3 GLU A 313 24.306 3.316 9.802 1.00 25.00 H new ATOM 0 HG2 GLU A 313 26.630 3.740 9.549 1.00 25.00 H new ATOM 0 HG3 GLU A 313 26.638 4.950 10.817 1.00 25.00 H new ATOM 296 N LEU A 314 23.822 4.822 7.397 1.00 25.00 N ATOM 297 CA LEU A 314 24.076 4.791 5.952 1.00 25.00 C ATOM 298 C LEU A 314 23.678 6.126 5.321 1.00 25.00 C ATOM 299 O LEU A 314 23.990 6.418 4.165 1.00 25.00 O ATOM 300 CB LEU A 314 23.287 3.650 5.304 1.00 25.00 C ATOM 301 CG LEU A 314 23.611 2.227 5.787 1.00 25.00 C ATOM 302 CD1 LEU A 314 22.597 1.253 5.194 1.00 25.00 C ATOM 303 CD2 LEU A 314 25.031 1.806 5.392 1.00 25.00 C ATOM 0 H LEU A 314 22.981 4.325 7.691 1.00 25.00 H new ATOM 0 HA LEU A 314 25.140 4.624 5.785 1.00 25.00 H new ATOM 0 HB2 LEU A 314 22.225 3.833 5.470 1.00 25.00 H new ATOM 0 HB3 LEU A 314 23.452 3.690 4.227 1.00 25.00 H new ATOM 0 HG LEU A 314 23.553 2.213 6.875 1.00 25.00 H new ATOM 0 HD11 LEU A 314 22.822 0.242 5.533 1.00 25.00 H new ATOM 0 HD12 LEU A 314 21.594 1.530 5.518 1.00 25.00 H new ATOM 0 HD13 LEU A 314 22.650 1.291 4.106 1.00 25.00 H new ATOM 0 HD21 LEU A 314 25.224 0.795 5.750 1.00 25.00 H new ATOM 0 HD22 LEU A 314 25.129 1.831 4.307 1.00 25.00 H new ATOM 0 HD23 LEU A 314 25.751 2.492 5.838 1.00 25.00 H new ATOM 315 N GLY A 315 22.990 6.950 6.099 1.00 25.00 N ATOM 316 CA GLY A 315 22.587 8.259 5.624 1.00 25.00 C ATOM 317 C GLY A 315 21.462 8.190 4.622 1.00 25.00 C ATOM 318 O GLY A 315 21.345 9.063 3.766 1.00 25.00 O ATOM 0 H GLY A 315 22.703 6.735 7.054 1.00 25.00 H new ATOM 0 HA2 GLY A 315 22.277 8.870 6.472 1.00 25.00 H new ATOM 0 HA3 GLY A 315 23.444 8.756 5.169 1.00 25.00 H new ATOM 322 N GLU A 316 20.618 7.170 4.716 1.00 25.00 N ATOM 323 CA GLU A 316 19.490 7.027 3.789 1.00 25.00 C ATOM 324 C GLU A 316 18.511 8.171 4.001 1.00 25.00 C ATOM 325 O GLU A 316 17.790 8.558 3.099 1.00 25.00 O ATOM 326 CB GLU A 316 18.800 5.673 3.952 1.00 25.00 C ATOM 327 CG GLU A 316 19.717 4.491 3.670 1.00 25.00 C ATOM 328 CD GLU A 316 20.525 4.680 2.387 1.00 25.00 C ATOM 329 OE1 GLU A 316 19.938 4.965 1.329 1.00 25.00 O ATOM 330 OE2 GLU A 316 21.764 4.573 2.448 1.00 25.00 O ATOM 0 H GLU A 316 20.687 6.432 5.417 1.00 25.00 H new ATOM 0 HA GLU A 316 19.870 7.069 2.768 1.00 25.00 H new ATOM 0 HB2 GLU A 316 18.414 5.590 4.968 1.00 25.00 H new ATOM 0 HB3 GLU A 316 17.943 5.627 3.280 1.00 25.00 H new ATOM 0 HG2 GLU A 316 20.399 4.354 4.510 1.00 25.00 H new ATOM 0 HG3 GLU A 316 19.121 3.582 3.591 1.00 25.00 H new ATOM 337 N LEU A 317 18.538 8.745 5.197 1.00 25.00 N ATOM 338 CA LEU A 317 17.725 9.921 5.526 1.00 25.00 C ATOM 339 C LEU A 317 17.992 11.104 4.583 1.00 25.00 C ATOM 340 O LEU A 317 17.198 12.035 4.509 1.00 25.00 O ATOM 341 CB LEU A 317 18.019 10.367 6.964 1.00 25.00 C ATOM 342 CG LEU A 317 17.619 9.431 8.092 1.00 25.00 C ATOM 343 CD1 LEU A 317 18.353 9.920 9.310 1.00 25.00 C ATOM 344 CD2 LEU A 317 16.123 9.482 8.301 1.00 25.00 C ATOM 0 H LEU A 317 19.120 8.414 5.967 1.00 25.00 H new ATOM 0 HA LEU A 317 16.681 9.627 5.413 1.00 25.00 H new ATOM 0 HB2 LEU A 317 19.090 10.551 7.045 1.00 25.00 H new ATOM 0 HB3 LEU A 317 17.519 11.321 7.128 1.00 25.00 H new ATOM 0 HG LEU A 317 17.873 8.394 7.873 1.00 25.00 H new ATOM 0 HD11 LEU A 317 18.107 9.286 10.162 1.00 25.00 H new ATOM 0 HD12 LEU A 317 19.427 9.882 9.127 1.00 25.00 H new ATOM 0 HD13 LEU A 317 18.057 10.947 9.525 1.00 25.00 H new ATOM 0 HD21 LEU A 317 15.846 8.808 9.111 1.00 25.00 H new ATOM 0 HD22 LEU A 317 15.826 10.499 8.557 1.00 25.00 H new ATOM 0 HD23 LEU A 317 15.617 9.176 7.385 1.00 25.00 H new ATOM 356 N ARG A 318 19.114 11.075 3.871 1.00 25.00 N ATOM 357 CA ARG A 318 19.456 12.137 2.921 1.00 25.00 C ATOM 358 C ARG A 318 18.919 11.867 1.519 1.00 25.00 C ATOM 359 O ARG A 318 19.114 12.695 0.632 1.00 25.00 O ATOM 360 CB ARG A 318 20.979 12.310 2.838 1.00 25.00 C ATOM 361 CG ARG A 318 21.631 12.902 4.094 1.00 25.00 C ATOM 362 CD ARG A 318 21.066 14.294 4.441 1.00 25.00 C ATOM 363 NE ARG A 318 21.085 15.206 3.279 1.00 25.00 N ATOM 364 CZ ARG A 318 22.110 15.960 2.897 1.00 25.00 C ATOM 365 NH1 ARG A 318 23.251 15.981 3.544 1.00 25.00 N ATOM 366 NH2 ARG A 318 21.984 16.703 1.834 1.00 25.00 N ATOM 0 H ARG A 318 19.805 10.328 3.932 1.00 25.00 H new ATOM 0 HA ARG A 318 18.987 13.047 3.296 1.00 25.00 H new ATOM 0 HB2 ARG A 318 21.430 11.338 2.636 1.00 25.00 H new ATOM 0 HB3 ARG A 318 21.211 12.952 1.989 1.00 25.00 H new ATOM 0 HG2 ARG A 318 21.474 12.227 4.936 1.00 25.00 H new ATOM 0 HG3 ARG A 318 22.708 12.976 3.942 1.00 25.00 H new ATOM 0 HD2 ARG A 318 20.043 14.190 4.803 1.00 25.00 H new ATOM 0 HD3 ARG A 318 21.649 14.729 5.253 1.00 25.00 H new ATOM 0 HE ARG A 318 20.234 15.262 2.719 1.00 25.00 H new ATOM 0 HH11 ARG A 318 23.377 15.403 4.375 1.00 25.00 H new ATOM 0 HH12 ARG A 318 24.013 16.575 3.216 1.00 25.00 H new ATOM 0 HH21 ARG A 318 21.109 16.699 1.310 1.00 25.00 H new ATOM 0 HH22 ARG A 318 22.760 17.288 1.526 1.00 25.00 H new ATOM 380 N LYS A 319 18.270 10.726 1.318 1.00 25.00 N ATOM 381 CA LYS A 319 17.727 10.358 0.006 1.00 25.00 C ATOM 382 C LYS A 319 16.217 10.141 0.112 1.00 25.00 C ATOM 383 O LYS A 319 15.437 11.044 -0.166 1.00 25.00 O ATOM 384 CB LYS A 319 18.404 9.081 -0.538 1.00 25.00 C ATOM 385 CG LYS A 319 19.933 9.131 -0.638 1.00 25.00 C ATOM 386 CD LYS A 319 20.528 8.212 0.423 1.00 25.00 C ATOM 387 CE LYS A 319 22.034 8.034 0.307 1.00 25.00 C ATOM 388 NZ LYS A 319 22.527 7.064 1.361 1.00 25.00 N ATOM 0 H LYS A 319 18.104 10.033 2.048 1.00 25.00 H new ATOM 0 HA LYS A 319 17.930 11.173 -0.688 1.00 25.00 H new ATOM 0 HB2 LYS A 319 18.127 8.244 0.103 1.00 25.00 H new ATOM 0 HB3 LYS A 319 18.000 8.871 -1.528 1.00 25.00 H new ATOM 0 HG2 LYS A 319 20.256 8.819 -1.631 1.00 25.00 H new ATOM 0 HG3 LYS A 319 20.287 10.152 -0.494 1.00 25.00 H new ATOM 0 HD2 LYS A 319 20.294 8.612 1.409 1.00 25.00 H new ATOM 0 HD3 LYS A 319 20.050 7.235 0.354 1.00 25.00 H new ATOM 0 HE2 LYS A 319 22.289 7.664 -0.686 1.00 25.00 H new ATOM 0 HE3 LYS A 319 22.532 8.996 0.426 1.00 25.00 H new ATOM 0 HZ1 LYS A 319 23.561 7.139 1.445 1.00 25.00 H new ATOM 0 HZ2 LYS A 319 22.088 7.292 2.276 1.00 25.00 H new ATOM 0 HZ3 LYS A 319 22.271 6.094 1.087 1.00 25.00 H new ATOM 402 N GLU A 320 15.823 8.944 0.526 1.00 25.00 N ATOM 403 CA GLU A 320 14.422 8.548 0.657 1.00 25.00 C ATOM 404 C GLU A 320 14.387 7.610 1.868 1.00 25.00 C ATOM 405 O GLU A 320 15.425 7.056 2.241 1.00 25.00 O ATOM 406 CB GLU A 320 13.943 7.810 -0.609 1.00 25.00 C ATOM 407 CG GLU A 320 13.843 8.705 -1.848 1.00 25.00 C ATOM 408 CD GLU A 320 13.219 7.991 -3.041 1.00 25.00 C ATOM 409 OE1 GLU A 320 12.040 7.584 -2.946 1.00 25.00 O ATOM 410 OE2 GLU A 320 13.906 7.845 -4.077 1.00 25.00 O ATOM 0 H GLU A 320 16.478 8.206 0.785 1.00 25.00 H new ATOM 0 HA GLU A 320 13.766 9.409 0.783 1.00 25.00 H new ATOM 0 HB2 GLU A 320 14.628 6.989 -0.820 1.00 25.00 H new ATOM 0 HB3 GLU A 320 12.966 7.368 -0.412 1.00 25.00 H new ATOM 0 HG2 GLU A 320 13.250 9.587 -1.607 1.00 25.00 H new ATOM 0 HG3 GLU A 320 14.839 9.055 -2.120 1.00 25.00 H new ATOM 417 N PRO A 321 13.217 7.419 2.507 1.00 25.00 N ATOM 418 CA PRO A 321 13.252 6.536 3.680 1.00 25.00 C ATOM 419 C PRO A 321 13.491 5.063 3.339 1.00 25.00 C ATOM 420 O PRO A 321 13.211 4.613 2.232 1.00 25.00 O ATOM 421 CB PRO A 321 11.865 6.740 4.296 1.00 25.00 C ATOM 422 CG PRO A 321 11.000 7.061 3.133 1.00 25.00 C ATOM 423 CD PRO A 321 11.859 7.949 2.270 1.00 25.00 C ATOM 0 HA PRO A 321 14.081 6.780 4.344 1.00 25.00 H new ATOM 0 HB2 PRO A 321 11.522 5.844 4.813 1.00 25.00 H new ATOM 0 HB3 PRO A 321 11.868 7.549 5.027 1.00 25.00 H new ATOM 0 HG2 PRO A 321 10.698 6.159 2.600 1.00 25.00 H new ATOM 0 HG3 PRO A 321 10.087 7.569 3.443 1.00 25.00 H new ATOM 0 HD2 PRO A 321 11.578 7.886 1.219 1.00 25.00 H new ATOM 0 HD3 PRO A 321 11.777 8.997 2.560 1.00 25.00 H new ATOM 431 N SER A 322 13.999 4.314 4.310 1.00 25.00 N ATOM 432 CA SER A 322 14.289 2.892 4.136 1.00 25.00 C ATOM 433 C SER A 322 13.910 2.178 5.430 1.00 25.00 C ATOM 434 O SER A 322 13.991 2.776 6.510 1.00 25.00 O ATOM 435 CB SER A 322 15.777 2.699 3.829 1.00 25.00 C ATOM 436 OG SER A 322 16.077 1.342 3.558 1.00 25.00 O ATOM 0 H SER A 322 14.222 4.672 5.239 1.00 25.00 H new ATOM 0 HA SER A 322 13.719 2.480 3.303 1.00 25.00 H new ATOM 0 HB2 SER A 322 16.056 3.313 2.973 1.00 25.00 H new ATOM 0 HB3 SER A 322 16.372 3.043 4.675 1.00 25.00 H new ATOM 0 HG SER A 322 17.033 1.251 3.364 1.00 25.00 H new