USER MOD reduce.3.24.130724 H: found=0, std=0, add=208, rem=0, adj=5 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+ 178:sc= 0 (180deg=-0.00458) USER MOD Single : A 308 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 312 LYS NZ :NH3+ -139:sc= 0.389 (180deg=-1.4!) USER MOD Single : A 319 LYS NZ :NH3+ -130:sc= 0.327 (180deg=-0.178) USER MOD Single : A 322 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N ARG A 300 16.937 -15.056 13.951 1.00 25.00 N ATOM 32 CA ARG A 300 16.528 -13.741 14.449 1.00 25.00 C ATOM 33 C ARG A 300 16.962 -12.758 13.375 1.00 25.00 C ATOM 34 O ARG A 300 18.052 -12.907 12.827 1.00 25.00 O ATOM 35 CB ARG A 300 17.236 -13.427 15.778 1.00 25.00 C ATOM 36 CG ARG A 300 16.314 -12.903 16.886 1.00 25.00 C ATOM 37 CD ARG A 300 15.465 -14.026 17.503 1.00 25.00 C ATOM 38 NE ARG A 300 14.604 -13.542 18.601 1.00 25.00 N ATOM 39 CZ ARG A 300 14.933 -13.513 19.891 1.00 25.00 C ATOM 40 NH1 ARG A 300 16.096 -13.926 20.333 1.00 25.00 N ATOM 41 NH2 ARG A 300 14.065 -13.067 20.756 1.00 25.00 N ATOM 0 HA ARG A 300 15.456 -13.692 14.640 1.00 25.00 H new ATOM 0 HB2 ARG A 300 17.731 -14.331 16.133 1.00 25.00 H new ATOM 0 HB3 ARG A 300 18.016 -12.688 15.593 1.00 25.00 H new ATOM 0 HG2 ARG A 300 16.914 -12.431 17.665 1.00 25.00 H new ATOM 0 HG3 ARG A 300 15.658 -12.134 16.479 1.00 25.00 H new ATOM 0 HD2 ARG A 300 14.843 -14.475 16.728 1.00 25.00 H new ATOM 0 HD3 ARG A 300 16.122 -14.810 17.879 1.00 25.00 H new ATOM 0 HE ARG A 300 13.677 -13.200 18.349 1.00 25.00 H new ATOM 0 HH11 ARG A 300 16.791 -14.288 19.680 1.00 25.00 H new ATOM 0 HH12 ARG A 300 16.306 -13.886 21.330 1.00 25.00 H new ATOM 0 HH21 ARG A 300 13.149 -12.747 20.441 1.00 25.00 H new ATOM 0 HH22 ARG A 300 14.302 -13.038 21.748 1.00 25.00 H new ATOM 55 N ARG A 301 16.130 -11.771 13.061 1.00 25.00 N ATOM 56 CA ARG A 301 16.463 -10.799 12.007 1.00 25.00 C ATOM 57 C ARG A 301 17.435 -9.722 12.485 1.00 25.00 C ATOM 58 O ARG A 301 18.049 -9.052 11.677 1.00 25.00 O ATOM 59 CB ARG A 301 15.183 -10.144 11.460 1.00 25.00 C ATOM 60 CG ARG A 301 15.284 -9.752 9.973 1.00 25.00 C ATOM 61 CD ARG A 301 14.010 -10.102 9.187 1.00 25.00 C ATOM 62 NE ARG A 301 12.913 -9.155 9.433 1.00 25.00 N ATOM 63 CZ ARG A 301 11.689 -9.236 8.928 1.00 25.00 C ATOM 64 NH1 ARG A 301 11.320 -10.204 8.123 1.00 25.00 N ATOM 65 NH2 ARG A 301 10.822 -8.322 9.240 1.00 25.00 N ATOM 0 H ARG A 301 15.228 -11.617 13.511 1.00 25.00 H new ATOM 0 HA ARG A 301 16.961 -11.354 11.212 1.00 25.00 H new ATOM 0 HB2 ARG A 301 14.347 -10.831 11.591 1.00 25.00 H new ATOM 0 HB3 ARG A 301 14.959 -9.254 12.048 1.00 25.00 H new ATOM 0 HG2 ARG A 301 15.474 -8.682 9.894 1.00 25.00 H new ATOM 0 HG3 ARG A 301 16.137 -10.261 9.523 1.00 25.00 H new ATOM 0 HD2 ARG A 301 14.238 -10.118 8.121 1.00 25.00 H new ATOM 0 HD3 ARG A 301 13.685 -11.106 9.458 1.00 25.00 H new ATOM 0 HE ARG A 301 13.111 -8.365 10.047 1.00 25.00 H new ATOM 0 HH11 ARG A 301 11.985 -10.932 7.863 1.00 25.00 H new ATOM 0 HH12 ARG A 301 10.368 -10.228 7.757 1.00 25.00 H new ATOM 0 HH21 ARG A 301 11.087 -7.559 9.863 1.00 25.00 H new ATOM 0 HH22 ARG A 301 9.876 -8.366 8.862 1.00 25.00 H new ATOM 79 N LYS A 302 17.554 -9.586 13.806 1.00 25.00 N ATOM 80 CA LYS A 302 18.421 -8.577 14.455 1.00 25.00 C ATOM 81 C LYS A 302 18.048 -7.158 14.017 1.00 25.00 C ATOM 82 O LYS A 302 18.909 -6.298 13.910 1.00 25.00 O ATOM 83 CB LYS A 302 19.914 -8.821 14.169 1.00 25.00 C ATOM 84 CG LYS A 302 20.458 -10.152 14.656 1.00 25.00 C ATOM 85 CD LYS A 302 21.977 -10.151 14.511 1.00 25.00 C ATOM 86 CE LYS A 302 22.601 -11.455 14.991 1.00 25.00 C ATOM 87 NZ LYS A 302 24.105 -11.387 14.886 1.00 25.00 N ATOM 0 H LYS A 302 17.050 -10.174 14.470 1.00 25.00 H new ATOM 0 HA LYS A 302 18.256 -8.679 15.528 1.00 25.00 H new ATOM 0 HB2 LYS A 302 20.077 -8.752 13.093 1.00 25.00 H new ATOM 0 HB3 LYS A 302 20.491 -8.020 14.631 1.00 25.00 H new ATOM 0 HG2 LYS A 302 20.179 -10.314 15.697 1.00 25.00 H new ATOM 0 HG3 LYS A 302 20.025 -10.969 14.079 1.00 25.00 H new ATOM 0 HD2 LYS A 302 22.241 -9.987 13.466 1.00 25.00 H new ATOM 0 HD3 LYS A 302 22.394 -9.320 15.079 1.00 25.00 H new ATOM 0 HE2 LYS A 302 22.310 -11.646 16.024 1.00 25.00 H new ATOM 0 HE3 LYS A 302 22.225 -12.287 14.395 1.00 25.00 H new ATOM 0 HZ1 LYS A 302 24.517 -12.283 15.217 1.00 25.00 H new ATOM 0 HZ2 LYS A 302 24.377 -11.226 13.895 1.00 25.00 H new ATOM 0 HZ3 LYS A 302 24.459 -10.605 15.474 1.00 25.00 H new ATOM 115 N GLY A 304 14.506 -4.012 13.458 1.00 25.00 N ATOM 116 CA GLY A 304 13.634 -3.118 14.216 1.00 25.00 C ATOM 117 C GLY A 304 14.427 -2.069 14.953 1.00 25.00 C ATOM 118 O GLY A 304 14.290 -0.876 14.700 1.00 25.00 O ATOM 0 HA2 GLY A 304 12.929 -2.635 13.539 1.00 25.00 H new ATOM 0 HA3 GLY A 304 13.046 -3.698 14.927 1.00 25.00 H new ATOM 122 N LYS A 305 15.282 -2.512 15.863 1.00 25.00 N ATOM 123 CA LYS A 305 16.149 -1.588 16.597 1.00 25.00 C ATOM 124 C LYS A 305 17.205 -1.084 15.632 1.00 25.00 C ATOM 125 O LYS A 305 17.429 0.111 15.511 1.00 25.00 O ATOM 126 CB LYS A 305 16.834 -2.288 17.781 1.00 25.00 C ATOM 127 CG LYS A 305 15.936 -2.520 19.001 1.00 25.00 C ATOM 128 CD LYS A 305 15.588 -1.200 19.705 1.00 25.00 C ATOM 129 CE LYS A 305 14.959 -1.437 21.083 1.00 25.00 C ATOM 130 NZ LYS A 305 13.641 -2.159 21.007 1.00 25.00 N ATOM 0 H LYS A 305 15.397 -3.494 16.113 1.00 25.00 H new ATOM 0 HA LYS A 305 15.551 -0.768 16.996 1.00 25.00 H new ATOM 0 HB2 LYS A 305 17.218 -3.250 17.443 1.00 25.00 H new ATOM 0 HB3 LYS A 305 17.693 -1.692 18.089 1.00 25.00 H new ATOM 0 HG2 LYS A 305 15.019 -3.020 18.689 1.00 25.00 H new ATOM 0 HG3 LYS A 305 16.439 -3.186 19.702 1.00 25.00 H new ATOM 0 HD2 LYS A 305 16.490 -0.599 19.816 1.00 25.00 H new ATOM 0 HD3 LYS A 305 14.898 -0.628 19.084 1.00 25.00 H new ATOM 0 HE2 LYS A 305 15.649 -2.015 21.698 1.00 25.00 H new ATOM 0 HE3 LYS A 305 14.814 -0.478 21.581 1.00 25.00 H new ATOM 0 HZ1 LYS A 305 13.262 -2.292 21.966 1.00 25.00 H new ATOM 0 HZ2 LYS A 305 12.970 -1.598 20.444 1.00 25.00 H new ATOM 0 HZ3 LYS A 305 13.779 -3.087 20.558 1.00 25.00 H new ATOM 144 N TYR A 306 17.842 -2.016 14.942 1.00 25.00 N ATOM 145 CA TYR A 306 18.892 -1.678 13.994 1.00 25.00 C ATOM 146 C TYR A 306 18.324 -1.052 12.732 1.00 25.00 C ATOM 147 O TYR A 306 18.982 -0.254 12.105 1.00 25.00 O ATOM 148 CB TYR A 306 19.699 -2.922 13.634 1.00 25.00 C ATOM 149 CG TYR A 306 20.616 -3.371 14.753 1.00 25.00 C ATOM 150 CD1 TYR A 306 20.157 -4.229 15.778 1.00 25.00 C ATOM 151 CD2 TYR A 306 21.954 -2.929 14.800 1.00 25.00 C ATOM 152 CE1 TYR A 306 21.024 -4.645 16.824 1.00 25.00 C ATOM 153 CE2 TYR A 306 22.823 -3.344 15.845 1.00 25.00 C ATOM 154 CZ TYR A 306 22.348 -4.201 16.843 1.00 25.00 C ATOM 155 OH TYR A 306 23.185 -4.615 17.847 1.00 25.00 O ATOM 0 H TYR A 306 17.650 -3.015 15.021 1.00 25.00 H new ATOM 0 HA TYR A 306 19.544 -0.947 14.471 1.00 25.00 H new ATOM 0 HB2 TYR A 306 19.015 -3.733 13.383 1.00 25.00 H new ATOM 0 HB3 TYR A 306 20.293 -2.719 12.743 1.00 25.00 H new ATOM 0 HD1 TYR A 306 19.133 -4.573 15.766 1.00 25.00 H new ATOM 0 HD2 TYR A 306 22.323 -2.266 14.032 1.00 25.00 H new ATOM 0 HE1 TYR A 306 20.661 -5.302 17.601 1.00 25.00 H new ATOM 0 HE2 TYR A 306 23.846 -2.999 15.868 1.00 25.00 H new ATOM 0 HH TYR A 306 24.072 -4.219 17.717 1.00 25.00 H new ATOM 165 N LYS A 307 17.094 -1.395 12.372 1.00 25.00 N ATOM 166 CA LYS A 307 16.494 -0.873 11.138 1.00 25.00 C ATOM 167 C LYS A 307 16.559 0.652 11.074 1.00 25.00 C ATOM 168 O LYS A 307 16.907 1.222 10.054 1.00 25.00 O ATOM 169 CB LYS A 307 15.050 -1.368 10.988 1.00 25.00 C ATOM 170 CG LYS A 307 14.359 -0.982 9.658 1.00 25.00 C ATOM 171 CD LYS A 307 15.096 -1.476 8.385 1.00 25.00 C ATOM 172 CE LYS A 307 15.233 -3.006 8.303 1.00 25.00 C ATOM 173 NZ LYS A 307 13.906 -3.706 8.290 1.00 25.00 N ATOM 0 H LYS A 307 16.494 -2.024 12.905 1.00 25.00 H new ATOM 0 HA LYS A 307 17.079 -1.255 10.301 1.00 25.00 H new ATOM 0 HB2 LYS A 307 15.043 -2.454 11.081 1.00 25.00 H new ATOM 0 HB3 LYS A 307 14.459 -0.973 11.815 1.00 25.00 H new ATOM 0 HG2 LYS A 307 13.347 -1.387 9.657 1.00 25.00 H new ATOM 0 HG3 LYS A 307 14.268 0.103 9.612 1.00 25.00 H new ATOM 0 HD2 LYS A 307 14.560 -1.121 7.505 1.00 25.00 H new ATOM 0 HD3 LYS A 307 16.090 -1.029 8.355 1.00 25.00 H new ATOM 0 HE2 LYS A 307 15.787 -3.269 7.402 1.00 25.00 H new ATOM 0 HE3 LYS A 307 15.818 -3.360 9.152 1.00 25.00 H new ATOM 0 HZ1 LYS A 307 14.055 -4.731 8.200 1.00 25.00 H new ATOM 0 HZ2 LYS A 307 13.400 -3.506 9.176 1.00 25.00 H new ATOM 0 HZ3 LYS A 307 13.342 -3.366 7.485 1.00 25.00 H new ATOM 187 N LYS A 308 16.244 1.318 12.177 1.00 25.00 N ATOM 188 CA LYS A 308 16.322 2.782 12.213 1.00 25.00 C ATOM 189 C LYS A 308 17.750 3.281 12.401 1.00 25.00 C ATOM 190 O LYS A 308 18.055 4.411 12.050 1.00 25.00 O ATOM 191 CB LYS A 308 15.358 3.408 13.228 1.00 25.00 C ATOM 192 CG LYS A 308 15.064 2.594 14.499 1.00 25.00 C ATOM 193 CD LYS A 308 13.750 3.066 15.130 1.00 25.00 C ATOM 194 CE LYS A 308 12.529 2.522 14.347 1.00 25.00 C ATOM 195 NZ LYS A 308 11.238 3.179 14.756 1.00 25.00 N ATOM 0 H LYS A 308 15.937 0.883 13.047 1.00 25.00 H new ATOM 0 HA LYS A 308 15.993 3.121 11.231 1.00 25.00 H new ATOM 0 HB2 LYS A 308 15.763 4.374 13.530 1.00 25.00 H new ATOM 0 HB3 LYS A 308 14.412 3.602 12.723 1.00 25.00 H new ATOM 0 HG2 LYS A 308 15.000 1.534 14.255 1.00 25.00 H new ATOM 0 HG3 LYS A 308 15.881 2.708 15.211 1.00 25.00 H new ATOM 0 HD2 LYS A 308 13.700 2.732 16.166 1.00 25.00 H new ATOM 0 HD3 LYS A 308 13.721 4.156 15.145 1.00 25.00 H new ATOM 0 HE2 LYS A 308 12.689 2.676 13.280 1.00 25.00 H new ATOM 0 HE3 LYS A 308 12.451 1.446 14.505 1.00 25.00 H new ATOM 0 HZ1 LYS A 308 10.454 2.779 14.202 1.00 25.00 H new ATOM 0 HZ2 LYS A 308 11.068 3.011 15.768 1.00 25.00 H new ATOM 0 HZ3 LYS A 308 11.299 4.202 14.581 1.00 25.00 H new ATOM 209 N VAL A 309 18.630 2.447 12.930 1.00 25.00 N ATOM 210 CA VAL A 309 20.042 2.813 13.035 1.00 25.00 C ATOM 211 C VAL A 309 20.617 2.863 11.627 1.00 25.00 C ATOM 212 O VAL A 309 21.376 3.760 11.332 1.00 25.00 O ATOM 213 CB VAL A 309 20.839 1.841 13.946 1.00 25.00 C ATOM 214 CG1 VAL A 309 22.358 2.038 13.807 1.00 25.00 C ATOM 215 CG2 VAL A 309 20.442 2.087 15.386 1.00 25.00 C ATOM 0 H VAL A 309 18.400 1.521 13.291 1.00 25.00 H new ATOM 0 HA VAL A 309 20.128 3.790 13.510 1.00 25.00 H new ATOM 0 HB VAL A 309 20.603 0.821 13.641 1.00 25.00 H new ATOM 0 HG11 VAL A 309 22.877 1.338 14.462 1.00 25.00 H new ATOM 0 HG12 VAL A 309 22.655 1.857 12.774 1.00 25.00 H new ATOM 0 HG13 VAL A 309 22.620 3.058 14.087 1.00 25.00 H new ATOM 0 HG21 VAL A 309 20.995 1.410 16.037 1.00 25.00 H new ATOM 0 HG22 VAL A 309 20.672 3.118 15.656 1.00 25.00 H new ATOM 0 HG23 VAL A 309 19.373 1.911 15.504 1.00 25.00 H new ATOM 225 N GLU A 310 20.241 1.945 10.746 1.00 25.00 N ATOM 226 CA GLU A 310 20.713 2.011 9.359 1.00 25.00 C ATOM 227 C GLU A 310 20.301 3.358 8.743 1.00 25.00 C ATOM 228 O GLU A 310 21.095 4.014 8.081 1.00 25.00 O ATOM 229 CB GLU A 310 20.146 0.857 8.515 1.00 25.00 C ATOM 230 CG GLU A 310 20.949 -0.451 8.601 1.00 25.00 C ATOM 231 CD GLU A 310 20.497 -1.379 9.728 1.00 25.00 C ATOM 232 OE1 GLU A 310 19.359 -1.908 9.659 1.00 25.00 O ATOM 233 OE2 GLU A 310 21.285 -1.593 10.676 1.00 25.00 O ATOM 0 H GLU A 310 19.624 1.160 10.955 1.00 25.00 H new ATOM 0 HA GLU A 310 21.799 1.919 9.363 1.00 25.00 H new ATOM 0 HB2 GLU A 310 19.122 0.661 8.832 1.00 25.00 H new ATOM 0 HB3 GLU A 310 20.102 1.174 7.473 1.00 25.00 H new ATOM 0 HG2 GLU A 310 20.866 -0.980 7.652 1.00 25.00 H new ATOM 0 HG3 GLU A 310 22.003 -0.211 8.741 1.00 25.00 H new ATOM 240 N ILE A 311 19.066 3.775 8.992 1.00 25.00 N ATOM 241 CA ILE A 311 18.548 5.067 8.505 1.00 25.00 C ATOM 242 C ILE A 311 19.374 6.220 9.106 1.00 25.00 C ATOM 243 O ILE A 311 19.684 7.208 8.429 1.00 25.00 O ATOM 244 CB ILE A 311 17.036 5.211 8.872 1.00 25.00 C ATOM 245 CG1 ILE A 311 16.242 4.049 8.240 1.00 25.00 C ATOM 246 CG2 ILE A 311 16.446 6.555 8.381 1.00 25.00 C ATOM 247 CD1 ILE A 311 14.810 3.941 8.710 1.00 25.00 C ATOM 0 H ILE A 311 18.390 3.237 9.534 1.00 25.00 H new ATOM 0 HA ILE A 311 18.639 5.107 7.420 1.00 25.00 H new ATOM 0 HB ILE A 311 16.955 5.185 9.959 1.00 25.00 H new ATOM 0 HG12 ILE A 311 16.248 4.169 7.157 1.00 25.00 H new ATOM 0 HG13 ILE A 311 16.755 3.113 8.460 1.00 25.00 H new ATOM 0 HG21 ILE A 311 15.393 6.613 8.657 1.00 25.00 H new ATOM 0 HG22 ILE A 311 16.988 7.380 8.842 1.00 25.00 H new ATOM 0 HG23 ILE A 311 16.541 6.620 7.297 1.00 25.00 H new ATOM 0 HD11 ILE A 311 14.327 3.098 8.215 1.00 25.00 H new ATOM 0 HD12 ILE A 311 14.792 3.787 9.789 1.00 25.00 H new ATOM 0 HD13 ILE A 311 14.276 4.859 8.465 1.00 25.00 H new ATOM 259 N LYS A 312 19.743 6.093 10.373 1.00 25.00 N ATOM 260 CA LYS A 312 20.541 7.118 11.051 1.00 25.00 C ATOM 261 C LYS A 312 21.971 7.175 10.522 1.00 25.00 C ATOM 262 O LYS A 312 22.458 8.255 10.208 1.00 25.00 O ATOM 263 CB LYS A 312 20.543 6.872 12.569 1.00 25.00 C ATOM 264 CG LYS A 312 21.312 7.931 13.379 1.00 25.00 C ATOM 265 CD LYS A 312 22.728 7.466 13.734 1.00 25.00 C ATOM 266 CE LYS A 312 23.777 8.526 13.390 1.00 25.00 C ATOM 267 NZ LYS A 312 25.167 8.041 13.705 1.00 25.00 N ATOM 0 H LYS A 312 19.505 5.291 10.957 1.00 25.00 H new ATOM 0 HA LYS A 312 20.079 8.083 10.842 1.00 25.00 H new ATOM 0 HB2 LYS A 312 19.512 6.839 12.922 1.00 25.00 H new ATOM 0 HB3 LYS A 312 20.979 5.893 12.766 1.00 25.00 H new ATOM 0 HG2 LYS A 312 21.367 8.856 12.805 1.00 25.00 H new ATOM 0 HG3 LYS A 312 20.764 8.156 14.294 1.00 25.00 H new ATOM 0 HD2 LYS A 312 22.779 7.236 14.798 1.00 25.00 H new ATOM 0 HD3 LYS A 312 22.953 6.544 13.198 1.00 25.00 H new ATOM 0 HE2 LYS A 312 23.709 8.779 12.332 1.00 25.00 H new ATOM 0 HE3 LYS A 312 23.572 9.439 13.950 1.00 25.00 H new ATOM 0 HZ1 LYS A 312 25.716 8.814 14.133 1.00 25.00 H new ATOM 0 HZ2 LYS A 312 25.114 7.244 14.371 1.00 25.00 H new ATOM 0 HZ3 LYS A 312 25.633 7.729 12.829 1.00 25.00 H new ATOM 281 N GLU A 313 22.646 6.038 10.437 1.00 25.00 N ATOM 282 CA GLU A 313 24.040 6.014 9.968 1.00 25.00 C ATOM 283 C GLU A 313 24.175 6.407 8.496 1.00 25.00 C ATOM 284 O GLU A 313 25.118 7.097 8.127 1.00 25.00 O ATOM 285 CB GLU A 313 24.679 4.630 10.173 1.00 25.00 C ATOM 286 CG GLU A 313 24.728 4.132 11.631 1.00 25.00 C ATOM 287 CD GLU A 313 25.386 5.112 12.596 1.00 25.00 C ATOM 288 OE1 GLU A 313 26.286 5.879 12.198 1.00 25.00 O ATOM 289 OE2 GLU A 313 24.979 5.133 13.779 1.00 25.00 O ATOM 0 H GLU A 313 22.264 5.125 10.682 1.00 25.00 H new ATOM 0 HA GLU A 313 24.565 6.755 10.571 1.00 25.00 H new ATOM 0 HB2 GLU A 313 24.128 3.903 9.577 1.00 25.00 H new ATOM 0 HB3 GLU A 313 25.696 4.657 9.782 1.00 25.00 H new ATOM 0 HG2 GLU A 313 23.712 3.930 11.970 1.00 25.00 H new ATOM 0 HG3 GLU A 313 25.269 3.186 11.664 1.00 25.00 H new ATOM 296 N LEU A 314 23.233 5.986 7.659 1.00 25.00 N ATOM 297 CA LEU A 314 23.259 6.333 6.231 1.00 25.00 C ATOM 298 C LEU A 314 22.932 7.817 6.041 1.00 25.00 C ATOM 299 O LEU A 314 23.190 8.412 4.995 1.00 25.00 O ATOM 300 CB LEU A 314 22.258 5.451 5.467 1.00 25.00 C ATOM 301 CG LEU A 314 22.261 5.511 3.928 1.00 25.00 C ATOM 302 CD1 LEU A 314 23.636 5.179 3.338 1.00 25.00 C ATOM 303 CD2 LEU A 314 21.224 4.526 3.385 1.00 25.00 C ATOM 0 H LEU A 314 22.442 5.406 7.937 1.00 25.00 H new ATOM 0 HA LEU A 314 24.258 6.153 5.834 1.00 25.00 H new ATOM 0 HB2 LEU A 314 22.435 4.416 5.760 1.00 25.00 H new ATOM 0 HB3 LEU A 314 21.256 5.712 5.808 1.00 25.00 H new ATOM 0 HG LEU A 314 22.014 6.531 3.634 1.00 25.00 H new ATOM 0 HD11 LEU A 314 23.588 5.234 2.250 1.00 25.00 H new ATOM 0 HD12 LEU A 314 24.372 5.894 3.706 1.00 25.00 H new ATOM 0 HD13 LEU A 314 23.927 4.172 3.638 1.00 25.00 H new ATOM 0 HD21 LEU A 314 21.222 4.564 2.296 1.00 25.00 H new ATOM 0 HD22 LEU A 314 21.474 3.517 3.712 1.00 25.00 H new ATOM 0 HD23 LEU A 314 20.236 4.794 3.760 1.00 25.00 H new ATOM 315 N GLY A 315 22.371 8.420 7.078 1.00 25.00 N ATOM 316 CA GLY A 315 22.058 9.834 7.042 1.00 25.00 C ATOM 317 C GLY A 315 20.738 10.133 6.372 1.00 25.00 C ATOM 318 O GLY A 315 20.485 11.267 5.983 1.00 25.00 O ATOM 0 H GLY A 315 22.125 7.952 7.950 1.00 25.00 H new ATOM 0 HA2 GLY A 315 22.037 10.221 8.061 1.00 25.00 H new ATOM 0 HA3 GLY A 315 22.853 10.363 6.516 1.00 25.00 H new ATOM 322 N GLU A 316 19.873 9.140 6.245 1.00 25.00 N ATOM 323 CA GLU A 316 18.563 9.368 5.638 1.00 25.00 C ATOM 324 C GLU A 316 17.705 10.084 6.663 1.00 25.00 C ATOM 325 O GLU A 316 16.689 10.670 6.347 1.00 25.00 O ATOM 326 CB GLU A 316 17.898 8.064 5.193 1.00 25.00 C ATOM 327 CG GLU A 316 18.674 7.298 4.128 1.00 25.00 C ATOM 328 CD GLU A 316 19.002 8.136 2.891 1.00 25.00 C ATOM 329 OE1 GLU A 316 18.280 9.109 2.584 1.00 25.00 O ATOM 330 OE2 GLU A 316 20.015 7.830 2.229 1.00 25.00 O ATOM 0 H GLU A 316 20.046 8.181 6.547 1.00 25.00 H new ATOM 0 HA GLU A 316 18.680 9.971 4.738 1.00 25.00 H new ATOM 0 HB2 GLU A 316 17.766 7.421 6.063 1.00 25.00 H new ATOM 0 HB3 GLU A 316 16.903 8.289 4.810 1.00 25.00 H new ATOM 0 HG2 GLU A 316 19.602 6.927 4.562 1.00 25.00 H new ATOM 0 HG3 GLU A 316 18.094 6.427 3.824 1.00 25.00 H new ATOM 337 N LEU A 317 18.157 10.059 7.907 1.00 25.00 N ATOM 338 CA LEU A 317 17.474 10.744 8.996 1.00 25.00 C ATOM 339 C LEU A 317 17.333 12.258 8.771 1.00 25.00 C ATOM 340 O LEU A 317 16.497 12.901 9.392 1.00 25.00 O ATOM 341 CB LEU A 317 18.221 10.494 10.303 1.00 25.00 C ATOM 342 CG LEU A 317 17.342 10.181 11.500 1.00 25.00 C ATOM 343 CD1 LEU A 317 16.828 8.757 11.385 1.00 25.00 C ATOM 344 CD2 LEU A 317 18.212 10.350 12.714 1.00 25.00 C ATOM 0 H LEU A 317 19.004 9.566 8.191 1.00 25.00 H new ATOM 0 HA LEU A 317 16.464 10.335 9.040 1.00 25.00 H new ATOM 0 HB2 LEU A 317 18.913 9.665 10.154 1.00 25.00 H new ATOM 0 HB3 LEU A 317 18.822 11.374 10.534 1.00 25.00 H new ATOM 0 HG LEU A 317 16.474 10.837 11.560 1.00 25.00 H new ATOM 0 HD11 LEU A 317 16.196 8.528 12.243 1.00 25.00 H new ATOM 0 HD12 LEU A 317 16.247 8.653 10.468 1.00 25.00 H new ATOM 0 HD13 LEU A 317 17.671 8.067 11.361 1.00 25.00 H new ATOM 0 HD21 LEU A 317 17.630 10.137 13.611 1.00 25.00 H new ATOM 0 HD22 LEU A 317 19.055 9.662 12.656 1.00 25.00 H new ATOM 0 HD23 LEU A 317 18.582 11.374 12.757 1.00 25.00 H new ATOM 356 N ARG A 318 18.143 12.816 7.877 1.00 25.00 N ATOM 357 CA ARG A 318 18.065 14.247 7.540 1.00 25.00 C ATOM 358 C ARG A 318 17.589 14.448 6.094 1.00 25.00 C ATOM 359 O ARG A 318 17.780 15.519 5.521 1.00 25.00 O ATOM 360 CB ARG A 318 19.415 14.941 7.785 1.00 25.00 C ATOM 361 CG ARG A 318 20.555 14.445 6.898 1.00 25.00 C ATOM 362 CD ARG A 318 21.888 15.069 7.278 1.00 25.00 C ATOM 363 NE ARG A 318 21.892 16.530 7.099 1.00 25.00 N ATOM 364 CZ ARG A 318 22.927 17.328 7.345 1.00 25.00 C ATOM 365 NH1 ARG A 318 24.079 16.867 7.770 1.00 25.00 N ATOM 366 NH2 ARG A 318 22.799 18.611 7.158 1.00 25.00 N ATOM 0 H ARG A 318 18.864 12.305 7.368 1.00 25.00 H new ATOM 0 HA ARG A 318 17.328 14.709 8.197 1.00 25.00 H new ATOM 0 HB2 ARG A 318 19.291 16.013 7.630 1.00 25.00 H new ATOM 0 HB3 ARG A 318 19.697 14.801 8.829 1.00 25.00 H new ATOM 0 HG2 ARG A 318 20.628 13.360 6.975 1.00 25.00 H new ATOM 0 HG3 ARG A 318 20.331 14.676 5.857 1.00 25.00 H new ATOM 0 HD2 ARG A 318 22.114 14.832 8.318 1.00 25.00 H new ATOM 0 HD3 ARG A 318 22.679 14.629 6.671 1.00 25.00 H new ATOM 0 HE ARG A 318 21.034 16.964 6.760 1.00 25.00 H new ATOM 0 HH11 ARG A 318 24.203 15.866 7.922 1.00 25.00 H new ATOM 0 HH12 ARG A 318 24.851 17.509 7.948 1.00 25.00 H new ATOM 0 HH21 ARG A 318 21.913 18.992 6.827 1.00 25.00 H new ATOM 0 HH22 ARG A 318 23.585 19.234 7.343 1.00 25.00 H new ATOM 380 N LYS A 319 16.984 13.412 5.526 1.00 25.00 N ATOM 381 CA LYS A 319 16.450 13.447 4.156 1.00 25.00 C ATOM 382 C LYS A 319 15.029 12.886 4.174 1.00 25.00 C ATOM 383 O LYS A 319 14.063 13.634 4.149 1.00 25.00 O ATOM 384 CB LYS A 319 17.331 12.614 3.209 1.00 25.00 C ATOM 385 CG LYS A 319 18.671 13.266 2.862 1.00 25.00 C ATOM 386 CD LYS A 319 19.492 12.361 1.941 1.00 25.00 C ATOM 387 CE LYS A 319 20.441 11.474 2.743 1.00 25.00 C ATOM 388 NZ LYS A 319 21.046 10.388 1.907 1.00 25.00 N ATOM 0 H LYS A 319 16.846 12.518 5.998 1.00 25.00 H new ATOM 0 HA LYS A 319 16.444 14.475 3.795 1.00 25.00 H new ATOM 0 HB2 LYS A 319 17.520 11.643 3.667 1.00 25.00 H new ATOM 0 HB3 LYS A 319 16.780 12.430 2.287 1.00 25.00 H new ATOM 0 HG2 LYS A 319 18.498 14.226 2.376 1.00 25.00 H new ATOM 0 HG3 LYS A 319 19.231 13.467 3.776 1.00 25.00 H new ATOM 0 HD2 LYS A 319 18.823 11.739 1.347 1.00 25.00 H new ATOM 0 HD3 LYS A 319 20.064 12.971 1.242 1.00 25.00 H new ATOM 0 HE2 LYS A 319 21.235 12.087 3.169 1.00 25.00 H new ATOM 0 HE3 LYS A 319 19.900 11.028 3.578 1.00 25.00 H new ATOM 0 HZ1 LYS A 319 20.933 9.474 2.390 1.00 25.00 H new ATOM 0 HZ2 LYS A 319 20.568 10.353 0.984 1.00 25.00 H new ATOM 0 HZ3 LYS A 319 22.058 10.582 1.765 1.00 25.00 H new ATOM 402 N GLU A 320 14.928 11.567 4.239 1.00 25.00 N ATOM 403 CA GLU A 320 13.650 10.854 4.309 1.00 25.00 C ATOM 404 C GLU A 320 13.718 9.948 5.553 1.00 25.00 C ATOM 405 O GLU A 320 14.025 8.758 5.466 1.00 25.00 O ATOM 406 CB GLU A 320 13.418 10.045 3.026 1.00 25.00 C ATOM 407 CG GLU A 320 13.318 10.939 1.776 1.00 25.00 C ATOM 408 CD GLU A 320 12.998 10.168 0.497 1.00 25.00 C ATOM 409 OE1 GLU A 320 12.737 8.950 0.560 1.00 25.00 O ATOM 410 OE2 GLU A 320 13.000 10.805 -0.585 1.00 25.00 O ATOM 0 H GLU A 320 15.739 10.948 4.245 1.00 25.00 H new ATOM 0 HA GLU A 320 12.810 11.544 4.393 1.00 25.00 H new ATOM 0 HB2 GLU A 320 14.234 9.334 2.896 1.00 25.00 H new ATOM 0 HB3 GLU A 320 12.502 9.464 3.127 1.00 25.00 H new ATOM 0 HG2 GLU A 320 12.547 11.692 1.939 1.00 25.00 H new ATOM 0 HG3 GLU A 320 14.260 11.471 1.644 1.00 25.00 H new ATOM 417 N PRO A 321 13.473 10.521 6.747 1.00 25.00 N ATOM 418 CA PRO A 321 13.639 9.713 7.960 1.00 25.00 C ATOM 419 C PRO A 321 12.562 8.667 8.226 1.00 25.00 C ATOM 420 O PRO A 321 11.400 8.844 7.879 1.00 25.00 O ATOM 421 CB PRO A 321 13.601 10.770 9.068 1.00 25.00 C ATOM 422 CG PRO A 321 12.715 11.822 8.532 1.00 25.00 C ATOM 423 CD PRO A 321 13.077 11.906 7.074 1.00 25.00 C ATOM 0 HA PRO A 321 14.548 9.116 7.884 1.00 25.00 H new ATOM 0 HB2 PRO A 321 13.212 10.358 9.999 1.00 25.00 H new ATOM 0 HB3 PRO A 321 14.597 11.158 9.283 1.00 25.00 H new ATOM 0 HG2 PRO A 321 11.665 11.564 8.667 1.00 25.00 H new ATOM 0 HG3 PRO A 321 12.877 12.774 9.038 1.00 25.00 H new ATOM 0 HD2 PRO A 321 12.234 12.238 6.468 1.00 25.00 H new ATOM 0 HD3 PRO A 321 13.891 12.610 6.901 1.00 25.00 H new ATOM 431 N SER A 322 12.979 7.595 8.893 1.00 25.00 N ATOM 432 CA SER A 322 12.083 6.526 9.367 1.00 25.00 C ATOM 433 C SER A 322 11.264 5.831 8.279 1.00 25.00 C ATOM 434 O SER A 322 10.070 5.581 8.454 1.00 25.00 O ATOM 435 CB SER A 322 11.150 7.054 10.459 1.00 25.00 C ATOM 436 OG SER A 322 11.894 7.736 11.458 1.00 25.00 O ATOM 0 H SER A 322 13.959 7.435 9.126 1.00 25.00 H new ATOM 0 HA SER A 322 12.750 5.761 9.764 1.00 25.00 H new ATOM 0 HB2 SER A 322 10.413 7.728 10.022 1.00 25.00 H new ATOM 0 HB3 SER A 322 10.600 6.227 10.907 1.00 25.00 H new ATOM 0 HG SER A 322 11.285 8.070 12.149 1.00 25.00 H new