USER MOD reduce.3.24.130724 H: found=0, std=0, add=208, rem=0, adj=7 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+ -177:sc= 0.502 (180deg=0.501) USER MOD Single : A 305 LYS NZ :NH3+ -168:sc=-0.00578 (180deg=-0.143) USER MOD Single : A 306 TYR OH : rot 180:sc= 0 USER MOD Single : A 307 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 308 LYS NZ :NH3+ -166:sc= 1.12 (180deg=0.844) USER MOD Single : A 312 LYS NZ :NH3+ -156:sc= 1.17 (180deg=0.923) USER MOD Single : A 319 LYS NZ :NH3+ -126:sc= 0.72 (180deg=-0.667!) USER MOD Single : A 322 SER OG : rot 170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N ARG A 300 14.904 -15.276 15.771 1.00 25.00 N ATOM 32 CA ARG A 300 15.210 -13.934 16.275 1.00 25.00 C ATOM 33 C ARG A 300 15.575 -13.116 15.043 1.00 25.00 C ATOM 34 O ARG A 300 16.315 -13.599 14.189 1.00 25.00 O ATOM 35 CB ARG A 300 16.370 -13.955 17.288 1.00 25.00 C ATOM 36 CG ARG A 300 15.967 -14.422 18.704 1.00 25.00 C ATOM 37 CD ARG A 300 16.105 -15.940 18.898 1.00 25.00 C ATOM 38 NE ARG A 300 17.315 -16.300 19.667 1.00 25.00 N ATOM 39 CZ ARG A 300 17.372 -16.466 20.987 1.00 25.00 C ATOM 40 NH1 ARG A 300 16.328 -16.315 21.766 1.00 25.00 N ATOM 41 NH2 ARG A 300 18.508 -16.796 21.536 1.00 25.00 N ATOM 0 HA ARG A 300 14.361 -13.509 16.811 1.00 25.00 H new ATOM 0 HB2 ARG A 300 17.155 -14.611 16.911 1.00 25.00 H new ATOM 0 HB3 ARG A 300 16.796 -12.954 17.356 1.00 25.00 H new ATOM 0 HG2 ARG A 300 16.587 -13.910 19.440 1.00 25.00 H new ATOM 0 HG3 ARG A 300 14.935 -14.129 18.897 1.00 25.00 H new ATOM 0 HD2 ARG A 300 15.223 -16.320 19.414 1.00 25.00 H new ATOM 0 HD3 ARG A 300 16.138 -16.427 17.923 1.00 25.00 H new ATOM 0 HE ARG A 300 18.179 -16.432 19.142 1.00 25.00 H new ATOM 0 HH11 ARG A 300 15.425 -16.060 21.365 1.00 25.00 H new ATOM 0 HH12 ARG A 300 16.419 -16.453 22.773 1.00 25.00 H new ATOM 0 HH21 ARG A 300 19.337 -16.923 20.956 1.00 25.00 H new ATOM 0 HH22 ARG A 300 18.567 -16.927 22.546 1.00 25.00 H new ATOM 55 N ARG A 301 15.035 -11.908 14.943 1.00 25.00 N ATOM 56 CA ARG A 301 15.228 -11.051 13.761 1.00 25.00 C ATOM 57 C ARG A 301 16.510 -10.201 13.760 1.00 25.00 C ATOM 58 O ARG A 301 17.133 -10.053 12.722 1.00 25.00 O ATOM 59 CB ARG A 301 13.992 -10.137 13.627 1.00 25.00 C ATOM 60 CG ARG A 301 13.952 -9.235 12.387 1.00 25.00 C ATOM 61 CD ARG A 301 13.736 -9.989 11.080 1.00 25.00 C ATOM 62 NE ARG A 301 13.565 -9.035 9.972 1.00 25.00 N ATOM 63 CZ ARG A 301 13.518 -9.335 8.680 1.00 25.00 C ATOM 64 NH1 ARG A 301 13.614 -10.564 8.236 1.00 25.00 N ATOM 65 NH2 ARG A 301 13.374 -8.368 7.828 1.00 25.00 N ATOM 0 H ARG A 301 14.453 -11.489 15.669 1.00 25.00 H new ATOM 0 HA ARG A 301 15.345 -11.721 12.910 1.00 25.00 H new ATOM 0 HB2 ARG A 301 13.100 -10.764 13.624 1.00 25.00 H new ATOM 0 HB3 ARG A 301 13.935 -9.505 14.513 1.00 25.00 H new ATOM 0 HG2 ARG A 301 13.154 -8.503 12.508 1.00 25.00 H new ATOM 0 HG3 ARG A 301 14.888 -8.679 12.324 1.00 25.00 H new ATOM 0 HD2 ARG A 301 14.587 -10.641 10.882 1.00 25.00 H new ATOM 0 HD3 ARG A 301 12.857 -10.628 11.160 1.00 25.00 H new ATOM 0 HE ARG A 301 13.474 -8.050 10.221 1.00 25.00 H new ATOM 0 HH11 ARG A 301 13.730 -11.336 8.893 1.00 25.00 H new ATOM 0 HH12 ARG A 301 13.573 -10.749 7.234 1.00 25.00 H new ATOM 0 HH21 ARG A 301 13.300 -7.405 8.157 1.00 25.00 H new ATOM 0 HH22 ARG A 301 13.335 -8.570 6.829 1.00 25.00 H new ATOM 79 N LYS A 302 16.879 -9.644 14.918 1.00 25.00 N ATOM 80 CA LYS A 302 18.060 -8.743 15.064 1.00 25.00 C ATOM 81 C LYS A 302 17.904 -7.461 14.214 1.00 25.00 C ATOM 82 O LYS A 302 18.876 -6.761 13.940 1.00 25.00 O ATOM 83 CB LYS A 302 19.373 -9.486 14.709 1.00 25.00 C ATOM 84 CG LYS A 302 20.569 -9.273 15.693 1.00 25.00 C ATOM 85 CD LYS A 302 21.207 -7.859 15.660 1.00 25.00 C ATOM 86 CE LYS A 302 21.937 -7.548 14.331 1.00 25.00 C ATOM 87 NZ LYS A 302 21.720 -6.113 13.895 1.00 25.00 N ATOM 0 H LYS A 302 16.375 -9.797 15.792 1.00 25.00 H new ATOM 0 HA LYS A 302 18.114 -8.440 16.110 1.00 25.00 H new ATOM 0 HB2 LYS A 302 19.159 -10.553 14.654 1.00 25.00 H new ATOM 0 HB3 LYS A 302 19.687 -9.172 13.714 1.00 25.00 H new ATOM 0 HG2 LYS A 302 20.225 -9.475 16.707 1.00 25.00 H new ATOM 0 HG3 LYS A 302 21.341 -10.008 15.466 1.00 25.00 H new ATOM 0 HD2 LYS A 302 20.429 -7.113 15.822 1.00 25.00 H new ATOM 0 HD3 LYS A 302 21.914 -7.767 16.485 1.00 25.00 H new ATOM 0 HE2 LYS A 302 23.004 -7.735 14.450 1.00 25.00 H new ATOM 0 HE3 LYS A 302 21.580 -8.223 13.553 1.00 25.00 H new ATOM 0 HZ1 LYS A 302 22.181 -5.956 12.976 1.00 25.00 H new ATOM 0 HZ2 LYS A 302 20.701 -5.927 13.807 1.00 25.00 H new ATOM 0 HZ3 LYS A 302 22.129 -5.470 14.602 1.00 25.00 H new ATOM 115 N GLY A 304 14.475 -4.277 13.054 1.00 25.00 N ATOM 116 CA GLY A 304 13.430 -3.433 13.631 1.00 25.00 C ATOM 117 C GLY A 304 14.011 -2.359 14.514 1.00 25.00 C ATOM 118 O GLY A 304 14.096 -1.199 14.128 1.00 25.00 O ATOM 0 HA2 GLY A 304 12.850 -2.973 12.831 1.00 25.00 H new ATOM 0 HA3 GLY A 304 12.742 -4.049 14.210 1.00 25.00 H new ATOM 122 N LYS A 305 14.448 -2.735 15.710 1.00 25.00 N ATOM 123 CA LYS A 305 15.070 -1.764 16.618 1.00 25.00 C ATOM 124 C LYS A 305 16.347 -1.262 15.963 1.00 25.00 C ATOM 125 O LYS A 305 16.695 -0.092 16.053 1.00 25.00 O ATOM 126 CB LYS A 305 15.376 -2.402 17.980 1.00 25.00 C ATOM 127 CG LYS A 305 16.020 -1.426 18.983 1.00 25.00 C ATOM 128 CD LYS A 305 16.282 -2.076 20.350 1.00 25.00 C ATOM 129 CE LYS A 305 15.007 -2.207 21.202 1.00 25.00 C ATOM 130 NZ LYS A 305 14.448 -0.864 21.612 1.00 25.00 N ATOM 0 H LYS A 305 14.388 -3.686 16.074 1.00 25.00 H new ATOM 0 HA LYS A 305 14.386 -0.934 16.798 1.00 25.00 H new ATOM 0 HB2 LYS A 305 14.451 -2.791 18.406 1.00 25.00 H new ATOM 0 HB3 LYS A 305 16.042 -3.252 17.833 1.00 25.00 H new ATOM 0 HG2 LYS A 305 16.960 -1.057 18.573 1.00 25.00 H new ATOM 0 HG3 LYS A 305 15.368 -0.562 19.114 1.00 25.00 H new ATOM 0 HD2 LYS A 305 16.716 -3.064 20.200 1.00 25.00 H new ATOM 0 HD3 LYS A 305 17.018 -1.484 20.894 1.00 25.00 H new ATOM 0 HE2 LYS A 305 14.252 -2.755 20.639 1.00 25.00 H new ATOM 0 HE3 LYS A 305 15.228 -2.793 22.094 1.00 25.00 H new ATOM 0 HZ1 LYS A 305 13.720 -0.999 22.342 1.00 25.00 H new ATOM 0 HZ2 LYS A 305 15.213 -0.271 21.991 1.00 25.00 H new ATOM 0 HZ3 LYS A 305 14.025 -0.397 20.785 1.00 25.00 H new ATOM 144 N TYR A 306 17.035 -2.169 15.290 1.00 25.00 N ATOM 145 CA TYR A 306 18.283 -1.838 14.619 1.00 25.00 C ATOM 146 C TYR A 306 18.048 -1.114 13.302 1.00 25.00 C ATOM 147 O TYR A 306 18.938 -0.460 12.813 1.00 25.00 O ATOM 148 CB TYR A 306 19.097 -3.105 14.367 1.00 25.00 C ATOM 149 CG TYR A 306 19.550 -3.773 15.648 1.00 25.00 C ATOM 150 CD1 TYR A 306 18.736 -4.725 16.303 1.00 25.00 C ATOM 151 CD2 TYR A 306 20.796 -3.448 16.224 1.00 25.00 C ATOM 152 CE1 TYR A 306 19.158 -5.337 17.512 1.00 25.00 C ATOM 153 CE2 TYR A 306 21.225 -4.068 17.430 1.00 25.00 C ATOM 154 CZ TYR A 306 20.402 -5.005 18.059 1.00 25.00 C ATOM 155 OH TYR A 306 20.821 -5.600 19.220 1.00 25.00 O ATOM 0 H TYR A 306 16.750 -3.144 15.193 1.00 25.00 H new ATOM 0 HA TYR A 306 18.836 -1.167 15.276 1.00 25.00 H new ATOM 0 HB2 TYR A 306 18.498 -3.808 13.788 1.00 25.00 H new ATOM 0 HB3 TYR A 306 19.970 -2.857 13.763 1.00 25.00 H new ATOM 0 HD1 TYR A 306 17.779 -4.990 15.877 1.00 25.00 H new ATOM 0 HD2 TYR A 306 21.432 -2.719 15.743 1.00 25.00 H new ATOM 0 HE1 TYR A 306 18.522 -6.056 18.007 1.00 25.00 H new ATOM 0 HE2 TYR A 306 22.184 -3.815 17.858 1.00 25.00 H new ATOM 0 HH TYR A 306 21.707 -5.258 19.462 1.00 25.00 H new ATOM 165 N LYS A 307 16.849 -1.212 12.735 1.00 25.00 N ATOM 166 CA LYS A 307 16.565 -0.572 11.443 1.00 25.00 C ATOM 167 C LYS A 307 16.812 0.929 11.519 1.00 25.00 C ATOM 168 O LYS A 307 17.282 1.550 10.577 1.00 25.00 O ATOM 169 CB LYS A 307 15.119 -0.842 11.010 1.00 25.00 C ATOM 170 CG LYS A 307 14.857 -0.599 9.521 1.00 25.00 C ATOM 171 CD LYS A 307 15.581 -1.635 8.656 1.00 25.00 C ATOM 172 CE LYS A 307 14.611 -2.339 7.721 1.00 25.00 C ATOM 173 NZ LYS A 307 15.218 -3.609 7.204 1.00 25.00 N ATOM 0 H LYS A 307 16.063 -1.721 13.140 1.00 25.00 H new ATOM 0 HA LYS A 307 17.239 -1.001 10.701 1.00 25.00 H new ATOM 0 HB2 LYS A 307 14.866 -1.875 11.249 1.00 25.00 H new ATOM 0 HB3 LYS A 307 14.452 -0.208 11.594 1.00 25.00 H new ATOM 0 HG2 LYS A 307 13.786 -0.643 9.326 1.00 25.00 H new ATOM 0 HG3 LYS A 307 15.190 0.403 9.249 1.00 25.00 H new ATOM 0 HD2 LYS A 307 16.362 -1.146 8.074 1.00 25.00 H new ATOM 0 HD3 LYS A 307 16.072 -2.368 9.296 1.00 25.00 H new ATOM 0 HE2 LYS A 307 13.682 -2.559 8.248 1.00 25.00 H new ATOM 0 HE3 LYS A 307 14.357 -1.683 6.888 1.00 25.00 H new ATOM 0 HZ1 LYS A 307 14.545 -4.081 6.566 1.00 25.00 H new ATOM 0 HZ2 LYS A 307 16.092 -3.390 6.685 1.00 25.00 H new ATOM 0 HZ3 LYS A 307 15.438 -4.239 8.002 1.00 25.00 H new ATOM 187 N LYS A 308 16.510 1.505 12.674 1.00 25.00 N ATOM 188 CA LYS A 308 16.732 2.929 12.897 1.00 25.00 C ATOM 189 C LYS A 308 18.224 3.282 12.845 1.00 25.00 C ATOM 190 O LYS A 308 18.580 4.386 12.482 1.00 25.00 O ATOM 191 CB LYS A 308 16.117 3.340 14.246 1.00 25.00 C ATOM 192 CG LYS A 308 16.003 4.865 14.482 1.00 25.00 C ATOM 193 CD LYS A 308 14.634 5.463 14.082 1.00 25.00 C ATOM 194 CE LYS A 308 14.382 5.393 12.578 1.00 25.00 C ATOM 195 NZ LYS A 308 13.426 6.445 12.090 1.00 25.00 N ATOM 0 H LYS A 308 16.111 1.010 13.471 1.00 25.00 H new ATOM 0 HA LYS A 308 16.244 3.485 12.096 1.00 25.00 H new ATOM 0 HB2 LYS A 308 15.122 2.902 14.322 1.00 25.00 H new ATOM 0 HB3 LYS A 308 16.717 2.909 15.047 1.00 25.00 H new ATOM 0 HG2 LYS A 308 16.185 5.074 15.536 1.00 25.00 H new ATOM 0 HG3 LYS A 308 16.787 5.369 13.917 1.00 25.00 H new ATOM 0 HD2 LYS A 308 13.841 4.929 14.605 1.00 25.00 H new ATOM 0 HD3 LYS A 308 14.586 6.502 14.407 1.00 25.00 H new ATOM 0 HE2 LYS A 308 15.330 5.500 12.052 1.00 25.00 H new ATOM 0 HE3 LYS A 308 13.988 4.408 12.327 1.00 25.00 H new ATOM 0 HZ1 LYS A 308 13.111 6.208 11.127 1.00 25.00 H new ATOM 0 HZ2 LYS A 308 12.602 6.486 12.723 1.00 25.00 H new ATOM 0 HZ3 LYS A 308 13.902 7.370 12.081 1.00 25.00 H new ATOM 209 N VAL A 309 19.089 2.343 13.197 1.00 25.00 N ATOM 210 CA VAL A 309 20.533 2.588 13.187 1.00 25.00 C ATOM 211 C VAL A 309 21.070 2.482 11.768 1.00 25.00 C ATOM 212 O VAL A 309 22.036 3.154 11.433 1.00 25.00 O ATOM 213 CB VAL A 309 21.280 1.623 14.187 1.00 25.00 C ATOM 214 CG1 VAL A 309 22.103 0.530 13.475 1.00 25.00 C ATOM 215 CG2 VAL A 309 22.194 2.430 15.110 1.00 25.00 C ATOM 0 H VAL A 309 18.822 1.404 13.493 1.00 25.00 H new ATOM 0 HA VAL A 309 20.724 3.603 13.537 1.00 25.00 H new ATOM 0 HB VAL A 309 20.507 1.117 14.765 1.00 25.00 H new ATOM 0 HG11 VAL A 309 22.592 -0.100 14.218 1.00 25.00 H new ATOM 0 HG12 VAL A 309 21.442 -0.081 12.860 1.00 25.00 H new ATOM 0 HG13 VAL A 309 22.858 0.997 12.842 1.00 25.00 H new ATOM 0 HG21 VAL A 309 22.705 1.755 15.797 1.00 25.00 H new ATOM 0 HG22 VAL A 309 22.931 2.967 14.513 1.00 25.00 H new ATOM 0 HG23 VAL A 309 21.598 3.144 15.679 1.00 25.00 H new ATOM 225 N GLU A 310 20.434 1.675 10.929 1.00 25.00 N ATOM 226 CA GLU A 310 20.878 1.552 9.543 1.00 25.00 C ATOM 227 C GLU A 310 20.740 2.927 8.880 1.00 25.00 C ATOM 228 O GLU A 310 21.647 3.414 8.211 1.00 25.00 O ATOM 229 CB GLU A 310 20.063 0.521 8.774 1.00 25.00 C ATOM 230 CG GLU A 310 19.873 -0.812 9.483 1.00 25.00 C ATOM 231 CD GLU A 310 21.155 -1.483 9.980 1.00 25.00 C ATOM 232 OE1 GLU A 310 22.169 -1.475 9.260 1.00 25.00 O ATOM 233 OE2 GLU A 310 21.122 -2.045 11.107 1.00 25.00 O ATOM 0 H GLU A 310 19.625 1.105 11.175 1.00 25.00 H new ATOM 0 HA GLU A 310 21.914 1.213 9.530 1.00 25.00 H new ATOM 0 HB2 GLU A 310 19.081 0.944 8.559 1.00 25.00 H new ATOM 0 HB3 GLU A 310 20.548 0.339 7.815 1.00 25.00 H new ATOM 0 HG2 GLU A 310 19.210 -0.659 10.335 1.00 25.00 H new ATOM 0 HG3 GLU A 310 19.366 -1.496 8.803 1.00 25.00 H new ATOM 240 N ILE A 311 19.595 3.566 9.090 1.00 25.00 N ATOM 241 CA ILE A 311 19.345 4.877 8.495 1.00 25.00 C ATOM 242 C ILE A 311 20.033 6.034 9.229 1.00 25.00 C ATOM 243 O ILE A 311 20.065 7.157 8.726 1.00 25.00 O ATOM 244 CB ILE A 311 17.832 5.188 8.318 1.00 25.00 C ATOM 245 CG1 ILE A 311 17.152 5.541 9.649 1.00 25.00 C ATOM 246 CG2 ILE A 311 17.110 4.000 7.631 1.00 25.00 C ATOM 247 CD1 ILE A 311 15.871 6.323 9.444 1.00 25.00 C ATOM 0 H ILE A 311 18.831 3.204 9.661 1.00 25.00 H new ATOM 0 HA ILE A 311 19.798 4.803 7.506 1.00 25.00 H new ATOM 0 HB ILE A 311 17.755 6.066 7.677 1.00 25.00 H new ATOM 0 HG12 ILE A 311 16.933 4.625 10.198 1.00 25.00 H new ATOM 0 HG13 ILE A 311 17.838 6.124 10.263 1.00 25.00 H new ATOM 0 HG21 ILE A 311 16.052 4.235 7.515 1.00 25.00 H new ATOM 0 HG22 ILE A 311 17.552 3.824 6.650 1.00 25.00 H new ATOM 0 HG23 ILE A 311 17.218 3.105 8.244 1.00 25.00 H new ATOM 0 HD11 ILE A 311 15.425 6.551 10.412 1.00 25.00 H new ATOM 0 HD12 ILE A 311 16.092 7.252 8.919 1.00 25.00 H new ATOM 0 HD13 ILE A 311 15.173 5.730 8.853 1.00 25.00 H new ATOM 259 N LYS A 312 20.594 5.782 10.408 1.00 25.00 N ATOM 260 CA LYS A 312 21.309 6.844 11.127 1.00 25.00 C ATOM 261 C LYS A 312 22.472 7.259 10.260 1.00 25.00 C ATOM 262 O LYS A 312 22.701 8.450 10.048 1.00 25.00 O ATOM 263 CB LYS A 312 21.830 6.380 12.494 1.00 25.00 C ATOM 264 CG LYS A 312 20.859 6.583 13.651 1.00 25.00 C ATOM 265 CD LYS A 312 20.677 8.064 13.998 1.00 25.00 C ATOM 266 CE LYS A 312 19.810 8.243 15.232 1.00 25.00 C ATOM 267 NZ LYS A 312 18.470 7.606 15.046 1.00 25.00 N ATOM 0 H LYS A 312 20.572 4.878 10.880 1.00 25.00 H new ATOM 0 HA LYS A 312 20.623 7.670 11.318 1.00 25.00 H new ATOM 0 HB2 LYS A 312 22.082 5.321 12.431 1.00 25.00 H new ATOM 0 HB3 LYS A 312 22.754 6.914 12.715 1.00 25.00 H new ATOM 0 HG2 LYS A 312 19.892 6.150 13.393 1.00 25.00 H new ATOM 0 HG3 LYS A 312 21.224 6.048 14.528 1.00 25.00 H new ATOM 0 HD2 LYS A 312 21.652 8.522 14.167 1.00 25.00 H new ATOM 0 HD3 LYS A 312 20.223 8.584 13.154 1.00 25.00 H new ATOM 0 HE2 LYS A 312 20.308 7.804 16.097 1.00 25.00 H new ATOM 0 HE3 LYS A 312 19.685 9.305 15.441 1.00 25.00 H new ATOM 0 HZ1 LYS A 312 17.779 8.060 15.677 1.00 25.00 H new ATOM 0 HZ2 LYS A 312 18.165 7.721 14.058 1.00 25.00 H new ATOM 0 HZ3 LYS A 312 18.533 6.593 15.273 1.00 25.00 H new ATOM 281 N GLU A 313 23.193 6.275 9.750 1.00 25.00 N ATOM 282 CA GLU A 313 24.347 6.545 8.893 1.00 25.00 C ATOM 283 C GLU A 313 23.910 7.104 7.538 1.00 25.00 C ATOM 284 O GLU A 313 24.660 7.825 6.890 1.00 25.00 O ATOM 285 CB GLU A 313 25.206 5.290 8.743 1.00 25.00 C ATOM 286 CG GLU A 313 25.755 4.822 10.098 1.00 25.00 C ATOM 287 CD GLU A 313 26.890 3.809 9.986 1.00 25.00 C ATOM 288 OE1 GLU A 313 27.219 3.377 8.864 1.00 25.00 O ATOM 289 OE2 GLU A 313 27.459 3.457 11.046 1.00 25.00 O ATOM 0 H GLU A 313 23.005 5.285 9.910 1.00 25.00 H new ATOM 0 HA GLU A 313 24.960 7.311 9.369 1.00 25.00 H new ATOM 0 HB2 GLU A 313 24.613 4.493 8.294 1.00 25.00 H new ATOM 0 HB3 GLU A 313 26.034 5.493 8.064 1.00 25.00 H new ATOM 0 HG2 GLU A 313 26.108 5.689 10.655 1.00 25.00 H new ATOM 0 HG3 GLU A 313 24.943 4.381 10.676 1.00 25.00 H new ATOM 296 N LEU A 314 22.675 6.814 7.136 1.00 25.00 N ATOM 297 CA LEU A 314 22.087 7.374 5.908 1.00 25.00 C ATOM 298 C LEU A 314 21.578 8.809 6.144 1.00 25.00 C ATOM 299 O LEU A 314 20.725 9.308 5.421 1.00 25.00 O ATOM 300 CB LEU A 314 20.940 6.498 5.380 1.00 25.00 C ATOM 301 CG LEU A 314 21.292 5.053 4.988 1.00 25.00 C ATOM 302 CD1 LEU A 314 20.025 4.330 4.530 1.00 25.00 C ATOM 303 CD2 LEU A 314 22.338 5.007 3.866 1.00 25.00 C ATOM 0 H LEU A 314 22.051 6.188 7.645 1.00 25.00 H new ATOM 0 HA LEU A 314 22.877 7.396 5.157 1.00 25.00 H new ATOM 0 HB2 LEU A 314 20.162 6.463 6.142 1.00 25.00 H new ATOM 0 HB3 LEU A 314 20.510 6.991 4.508 1.00 25.00 H new ATOM 0 HG LEU A 314 21.716 4.560 5.863 1.00 25.00 H new ATOM 0 HD11 LEU A 314 20.271 3.305 4.251 1.00 25.00 H new ATOM 0 HD12 LEU A 314 19.298 4.320 5.342 1.00 25.00 H new ATOM 0 HD13 LEU A 314 19.601 4.848 3.670 1.00 25.00 H new ATOM 0 HD21 LEU A 314 22.560 3.969 3.618 1.00 25.00 H new ATOM 0 HD22 LEU A 314 21.948 5.516 2.984 1.00 25.00 H new ATOM 0 HD23 LEU A 314 23.250 5.503 4.198 1.00 25.00 H new ATOM 315 N GLY A 315 22.136 9.465 7.153 1.00 25.00 N ATOM 316 CA GLY A 315 21.815 10.851 7.445 1.00 25.00 C ATOM 317 C GLY A 315 20.796 11.177 8.520 1.00 25.00 C ATOM 318 O GLY A 315 20.588 12.360 8.771 1.00 25.00 O ATOM 0 H GLY A 315 22.820 9.052 7.787 1.00 25.00 H new ATOM 0 HA2 GLY A 315 22.745 11.350 7.716 1.00 25.00 H new ATOM 0 HA3 GLY A 315 21.467 11.307 6.518 1.00 25.00 H new ATOM 322 N GLU A 316 20.188 10.215 9.207 1.00 25.00 N ATOM 323 CA GLU A 316 19.263 10.581 10.296 1.00 25.00 C ATOM 324 C GLU A 316 20.086 11.181 11.458 1.00 25.00 C ATOM 325 O GLU A 316 19.568 11.876 12.331 1.00 25.00 O ATOM 326 CB GLU A 316 18.402 9.400 10.759 1.00 25.00 C ATOM 327 CG GLU A 316 17.132 9.862 11.483 1.00 25.00 C ATOM 328 CD GLU A 316 16.340 8.726 12.117 1.00 25.00 C ATOM 329 OE1 GLU A 316 16.952 7.863 12.784 1.00 25.00 O ATOM 330 OE2 GLU A 316 15.099 8.692 11.974 1.00 25.00 O ATOM 0 H GLU A 316 20.305 9.214 9.047 1.00 25.00 H new ATOM 0 HA GLU A 316 18.558 11.324 9.924 1.00 25.00 H new ATOM 0 HB2 GLU A 316 18.127 8.792 9.897 1.00 25.00 H new ATOM 0 HB3 GLU A 316 18.987 8.764 11.424 1.00 25.00 H new ATOM 0 HG2 GLU A 316 17.406 10.578 12.258 1.00 25.00 H new ATOM 0 HG3 GLU A 316 16.492 10.388 10.775 1.00 25.00 H new ATOM 337 N LEU A 317 21.395 10.949 11.433 1.00 25.00 N ATOM 338 CA LEU A 317 22.336 11.582 12.375 1.00 25.00 C ATOM 339 C LEU A 317 22.366 13.099 12.149 1.00 25.00 C ATOM 340 O LEU A 317 22.818 13.867 13.001 1.00 25.00 O ATOM 341 CB LEU A 317 23.750 11.042 12.160 1.00 25.00 C ATOM 342 CG LEU A 317 24.067 9.675 12.733 1.00 25.00 C ATOM 343 CD1 LEU A 317 25.244 9.156 11.963 1.00 25.00 C ATOM 344 CD2 LEU A 317 24.377 9.792 14.213 1.00 25.00 C ATOM 0 H LEU A 317 21.840 10.320 10.765 1.00 25.00 H new ATOM 0 HA LEU A 317 22.001 11.357 13.388 1.00 25.00 H new ATOM 0 HB2 LEU A 317 23.939 11.010 11.087 1.00 25.00 H new ATOM 0 HB3 LEU A 317 24.453 11.758 12.587 1.00 25.00 H new ATOM 0 HG LEU A 317 23.223 8.991 12.642 1.00 25.00 H new ATOM 0 HD11 LEU A 317 25.516 8.169 12.336 1.00 25.00 H new ATOM 0 HD12 LEU A 317 24.985 9.086 10.906 1.00 25.00 H new ATOM 0 HD13 LEU A 317 26.087 9.836 12.086 1.00 25.00 H new ATOM 0 HD21 LEU A 317 24.604 8.805 14.616 1.00 25.00 H new ATOM 0 HD22 LEU A 317 25.236 10.448 14.354 1.00 25.00 H new ATOM 0 HD23 LEU A 317 23.514 10.207 14.734 1.00 25.00 H new ATOM 356 N ARG A 318 21.890 13.509 10.981 1.00 25.00 N ATOM 357 CA ARG A 318 21.843 14.905 10.551 1.00 25.00 C ATOM 358 C ARG A 318 20.388 15.351 10.465 1.00 25.00 C ATOM 359 O ARG A 318 20.073 16.286 9.738 1.00 25.00 O ATOM 360 CB ARG A 318 22.538 15.077 9.189 1.00 25.00 C ATOM 361 CG ARG A 318 24.024 14.663 9.148 1.00 25.00 C ATOM 362 CD ARG A 318 24.900 15.545 10.047 1.00 25.00 C ATOM 363 NE ARG A 318 25.032 14.986 11.405 1.00 25.00 N ATOM 364 CZ ARG A 318 26.076 14.310 11.872 1.00 25.00 C ATOM 365 NH1 ARG A 318 27.139 14.061 11.147 1.00 25.00 N ATOM 366 NH2 ARG A 318 26.041 13.877 13.100 1.00 25.00 N ATOM 0 H ARG A 318 21.515 12.864 10.285 1.00 25.00 H new ATOM 0 HA ARG A 318 22.371 15.523 11.277 1.00 25.00 H new ATOM 0 HB2 ARG A 318 21.995 14.492 8.446 1.00 25.00 H new ATOM 0 HB3 ARG A 318 22.461 16.122 8.890 1.00 25.00 H new ATOM 0 HG2 ARG A 318 24.118 13.623 9.461 1.00 25.00 H new ATOM 0 HG3 ARG A 318 24.387 14.721 8.122 1.00 25.00 H new ATOM 0 HD2 ARG A 318 25.889 15.650 9.600 1.00 25.00 H new ATOM 0 HD3 ARG A 318 24.469 16.544 10.106 1.00 25.00 H new ATOM 0 HE ARG A 318 24.251 15.132 12.044 1.00 25.00 H new ATOM 0 HH11 ARG A 318 27.187 14.390 10.183 1.00 25.00 H new ATOM 0 HH12 ARG A 318 27.918 13.538 11.547 1.00 25.00 H new ATOM 0 HH21 ARG A 318 25.223 14.059 13.682 1.00 25.00 H new ATOM 0 HH22 ARG A 318 26.831 13.356 13.480 1.00 25.00 H new ATOM 380 N LYS A 319 19.522 14.643 11.197 1.00 25.00 N ATOM 381 CA LYS A 319 18.092 14.873 11.301 1.00 25.00 C ATOM 382 C LYS A 319 17.259 14.397 10.111 1.00 25.00 C ATOM 383 O LYS A 319 16.192 13.826 10.317 1.00 25.00 O ATOM 384 CB LYS A 319 17.800 16.336 11.652 1.00 25.00 C ATOM 385 CG LYS A 319 16.375 16.545 11.966 1.00 25.00 C ATOM 386 CD LYS A 319 15.652 17.291 10.814 1.00 25.00 C ATOM 387 CE LYS A 319 14.348 16.621 10.402 1.00 25.00 C ATOM 388 NZ LYS A 319 13.818 17.264 9.153 1.00 25.00 N ATOM 0 H LYS A 319 19.826 13.850 11.762 1.00 25.00 H new ATOM 0 HA LYS A 319 17.763 14.234 12.120 1.00 25.00 H new ATOM 0 HB2 LYS A 319 18.409 16.634 12.506 1.00 25.00 H new ATOM 0 HB3 LYS A 319 18.087 16.975 10.817 1.00 25.00 H new ATOM 0 HG2 LYS A 319 15.893 15.583 12.139 1.00 25.00 H new ATOM 0 HG3 LYS A 319 16.283 17.118 12.889 1.00 25.00 H new ATOM 0 HD2 LYS A 319 15.446 18.316 11.124 1.00 25.00 H new ATOM 0 HD3 LYS A 319 16.315 17.346 9.951 1.00 25.00 H new ATOM 0 HE2 LYS A 319 14.513 15.557 10.232 1.00 25.00 H new ATOM 0 HE3 LYS A 319 13.615 16.706 11.205 1.00 25.00 H new ATOM 0 HZ1 LYS A 319 12.838 17.574 9.311 1.00 25.00 H new ATOM 0 HZ2 LYS A 319 14.406 18.086 8.909 1.00 25.00 H new ATOM 0 HZ3 LYS A 319 13.842 16.577 8.372 1.00 25.00 H new ATOM 402 N GLU A 320 17.705 14.624 8.892 1.00 25.00 N ATOM 403 CA GLU A 320 16.909 14.219 7.736 1.00 25.00 C ATOM 404 C GLU A 320 16.822 12.683 7.635 1.00 25.00 C ATOM 405 O GLU A 320 17.840 12.004 7.574 1.00 25.00 O ATOM 406 CB GLU A 320 17.474 14.849 6.461 1.00 25.00 C ATOM 407 CG GLU A 320 16.416 15.607 5.653 1.00 25.00 C ATOM 408 CD GLU A 320 15.538 16.499 6.534 1.00 25.00 C ATOM 409 OE1 GLU A 320 16.063 17.397 7.231 1.00 25.00 O ATOM 410 OE2 GLU A 320 14.307 16.287 6.553 1.00 25.00 O ATOM 0 H GLU A 320 18.593 15.076 8.671 1.00 25.00 H new ATOM 0 HA GLU A 320 15.890 14.584 7.864 1.00 25.00 H new ATOM 0 HB2 GLU A 320 18.281 15.533 6.726 1.00 25.00 H new ATOM 0 HB3 GLU A 320 17.910 14.068 5.838 1.00 25.00 H new ATOM 0 HG2 GLU A 320 16.909 16.219 4.898 1.00 25.00 H new ATOM 0 HG3 GLU A 320 15.787 14.892 5.123 1.00 25.00 H new ATOM 417 N PRO A 321 15.597 12.122 7.653 1.00 25.00 N ATOM 418 CA PRO A 321 15.476 10.660 7.659 1.00 25.00 C ATOM 419 C PRO A 321 15.552 9.991 6.288 1.00 25.00 C ATOM 420 O PRO A 321 15.580 10.646 5.250 1.00 25.00 O ATOM 421 CB PRO A 321 14.084 10.458 8.257 1.00 25.00 C ATOM 422 CG PRO A 321 13.308 11.584 7.692 1.00 25.00 C ATOM 423 CD PRO A 321 14.263 12.759 7.707 1.00 25.00 C ATOM 0 HA PRO A 321 16.305 10.206 8.202 1.00 25.00 H new ATOM 0 HB2 PRO A 321 13.660 9.494 7.974 1.00 25.00 H new ATOM 0 HB3 PRO A 321 14.105 10.490 9.346 1.00 25.00 H new ATOM 0 HG2 PRO A 321 12.970 11.362 6.680 1.00 25.00 H new ATOM 0 HG3 PRO A 321 12.419 11.790 8.288 1.00 25.00 H new ATOM 0 HD2 PRO A 321 14.099 13.420 6.856 1.00 25.00 H new ATOM 0 HD3 PRO A 321 14.143 13.362 8.607 1.00 25.00 H new ATOM 431 N SER A 322 15.549 8.666 6.316 1.00 25.00 N ATOM 432 CA SER A 322 15.552 7.830 5.124 1.00 25.00 C ATOM 433 C SER A 322 14.611 6.687 5.464 1.00 25.00 C ATOM 434 O SER A 322 14.299 6.483 6.642 1.00 25.00 O ATOM 435 CB SER A 322 16.961 7.294 4.830 1.00 25.00 C ATOM 436 OG SER A 322 16.955 6.364 3.755 1.00 25.00 O ATOM 0 H SER A 322 15.544 8.132 7.185 1.00 25.00 H new ATOM 0 HA SER A 322 15.243 8.380 4.235 1.00 25.00 H new ATOM 0 HB2 SER A 322 17.624 8.125 4.589 1.00 25.00 H new ATOM 0 HB3 SER A 322 17.362 6.815 5.723 1.00 25.00 H new ATOM 0 HG SER A 322 17.877 6.166 3.489 1.00 25.00 H new