USER MOD reduce.3.24.130724 H: found=0, std=0, add=208, rem=0, adj=6 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+ 164:sc= 0.0573 (180deg=-0.355) USER MOD Single : A 308 LYS NZ :NH3+ -162:sc= 1.25 (180deg=0.852) USER MOD Single : A 312 LYS NZ :NH3+ -143:sc= 1.17 (180deg=0.209) USER MOD Single : A 319 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0144) USER MOD Single : A 322 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N ARG A 300 16.190 -11.824 10.913 1.00 25.00 N ATOM 32 CA ARG A 300 17.082 -12.341 9.867 1.00 25.00 C ATOM 33 C ARG A 300 18.230 -11.378 9.556 1.00 25.00 C ATOM 34 O ARG A 300 19.339 -11.807 9.271 1.00 25.00 O ATOM 35 CB ARG A 300 16.267 -12.630 8.596 1.00 25.00 C ATOM 36 CG ARG A 300 16.936 -13.607 7.625 1.00 25.00 C ATOM 37 CD ARG A 300 17.734 -12.912 6.524 1.00 25.00 C ATOM 38 NE ARG A 300 18.264 -13.893 5.560 1.00 25.00 N ATOM 39 CZ ARG A 300 19.072 -13.614 4.542 1.00 25.00 C ATOM 40 NH1 ARG A 300 19.498 -12.399 4.299 1.00 25.00 N ATOM 41 NH2 ARG A 300 19.460 -14.580 3.755 1.00 25.00 N ATOM 0 HA ARG A 300 17.532 -13.263 10.236 1.00 25.00 H new ATOM 0 HB2 ARG A 300 15.296 -13.032 8.885 1.00 25.00 H new ATOM 0 HB3 ARG A 300 16.081 -11.690 8.076 1.00 25.00 H new ATOM 0 HG2 ARG A 300 17.600 -14.267 8.184 1.00 25.00 H new ATOM 0 HG3 ARG A 300 16.171 -14.236 7.169 1.00 25.00 H new ATOM 0 HD2 ARG A 300 17.098 -12.194 6.006 1.00 25.00 H new ATOM 0 HD3 ARG A 300 18.556 -12.349 6.965 1.00 25.00 H new ATOM 0 HE ARG A 300 17.988 -14.867 5.684 1.00 25.00 H new ATOM 0 HH11 ARG A 300 19.210 -11.628 4.901 1.00 25.00 H new ATOM 0 HH12 ARG A 300 20.118 -12.224 3.508 1.00 25.00 H new ATOM 0 HH21 ARG A 300 19.143 -15.535 3.925 1.00 25.00 H new ATOM 0 HH22 ARG A 300 20.080 -14.380 2.970 1.00 25.00 H new ATOM 55 N ARG A 301 17.961 -10.080 9.624 1.00 25.00 N ATOM 56 CA ARG A 301 18.981 -9.054 9.406 1.00 25.00 C ATOM 57 C ARG A 301 19.243 -8.276 10.689 1.00 25.00 C ATOM 58 O ARG A 301 19.822 -7.197 10.654 1.00 25.00 O ATOM 59 CB ARG A 301 18.499 -8.068 8.356 1.00 25.00 C ATOM 60 CG ARG A 301 18.108 -8.678 7.018 1.00 25.00 C ATOM 61 CD ARG A 301 18.135 -7.604 5.939 1.00 25.00 C ATOM 62 NE ARG A 301 17.481 -6.370 6.408 1.00 25.00 N ATOM 63 CZ ARG A 301 17.999 -5.146 6.348 1.00 25.00 C ATOM 64 NH1 ARG A 301 19.168 -4.893 5.824 1.00 25.00 N ATOM 65 NH2 ARG A 301 17.328 -4.153 6.836 1.00 25.00 N ATOM 0 H ARG A 301 17.034 -9.707 9.831 1.00 25.00 H new ATOM 0 HA ARG A 301 19.895 -9.551 9.081 1.00 25.00 H new ATOM 0 HB2 ARG A 301 17.640 -7.529 8.755 1.00 25.00 H new ATOM 0 HB3 ARG A 301 19.285 -7.332 8.185 1.00 25.00 H new ATOM 0 HG2 ARG A 301 18.795 -9.484 6.760 1.00 25.00 H new ATOM 0 HG3 ARG A 301 17.112 -9.116 7.084 1.00 25.00 H new ATOM 0 HD2 ARG A 301 19.167 -7.390 5.659 1.00 25.00 H new ATOM 0 HD3 ARG A 301 17.631 -7.969 5.044 1.00 25.00 H new ATOM 0 HE ARG A 301 16.550 -6.462 6.814 1.00 25.00 H new ATOM 0 HH11 ARG A 301 19.728 -5.652 5.436 1.00 25.00 H new ATOM 0 HH12 ARG A 301 19.521 -3.936 5.802 1.00 25.00 H new ATOM 0 HH21 ARG A 301 16.414 -4.314 7.260 1.00 25.00 H new ATOM 0 HH22 ARG A 301 17.713 -3.209 6.797 1.00 25.00 H new ATOM 79 N LYS A 302 18.777 -8.827 11.808 1.00 25.00 N ATOM 80 CA LYS A 302 18.840 -8.190 13.140 1.00 25.00 C ATOM 81 C LYS A 302 18.084 -6.852 13.174 1.00 25.00 C ATOM 82 O LYS A 302 18.277 -6.044 14.091 1.00 25.00 O ATOM 83 CB LYS A 302 20.296 -7.993 13.601 1.00 25.00 C ATOM 84 CG LYS A 302 21.138 -9.270 13.559 1.00 25.00 C ATOM 85 CD LYS A 302 22.560 -8.998 14.032 1.00 25.00 C ATOM 86 CE LYS A 302 23.419 -10.258 13.926 1.00 25.00 C ATOM 87 NZ LYS A 302 24.831 -10.002 14.382 1.00 25.00 N ATOM 0 H LYS A 302 18.335 -9.746 11.824 1.00 25.00 H new ATOM 0 HA LYS A 302 18.347 -8.870 13.835 1.00 25.00 H new ATOM 0 HB2 LYS A 302 20.767 -7.238 12.971 1.00 25.00 H new ATOM 0 HB3 LYS A 302 20.295 -7.604 14.619 1.00 25.00 H new ATOM 0 HG2 LYS A 302 20.681 -10.033 14.189 1.00 25.00 H new ATOM 0 HG3 LYS A 302 21.157 -9.665 12.543 1.00 25.00 H new ATOM 0 HD2 LYS A 302 23.001 -8.201 13.433 1.00 25.00 H new ATOM 0 HD3 LYS A 302 22.544 -8.649 15.065 1.00 25.00 H new ATOM 0 HE2 LYS A 302 22.979 -11.052 14.529 1.00 25.00 H new ATOM 0 HE3 LYS A 302 23.427 -10.609 12.894 1.00 25.00 H new ATOM 0 HZ1 LYS A 302 25.387 -10.877 14.297 1.00 25.00 H new ATOM 0 HZ2 LYS A 302 25.258 -9.261 13.790 1.00 25.00 H new ATOM 0 HZ3 LYS A 302 24.824 -9.691 15.374 1.00 25.00 H new ATOM 115 N GLY A 304 14.611 -4.066 12.698 1.00 25.00 N ATOM 116 CA GLY A 304 13.771 -3.567 13.779 1.00 25.00 C ATOM 117 C GLY A 304 14.548 -2.505 14.524 1.00 25.00 C ATOM 118 O GLY A 304 14.566 -1.353 14.107 1.00 25.00 O ATOM 0 HA2 GLY A 304 12.845 -3.152 13.381 1.00 25.00 H new ATOM 0 HA3 GLY A 304 13.494 -4.379 14.452 1.00 25.00 H new ATOM 122 N LYS A 305 15.217 -2.884 15.607 1.00 25.00 N ATOM 123 CA LYS A 305 16.027 -1.925 16.373 1.00 25.00 C ATOM 124 C LYS A 305 17.128 -1.364 15.479 1.00 25.00 C ATOM 125 O LYS A 305 17.345 -0.157 15.425 1.00 25.00 O ATOM 126 CB LYS A 305 16.661 -2.600 17.600 1.00 25.00 C ATOM 127 CG LYS A 305 15.676 -3.010 18.707 1.00 25.00 C ATOM 128 CD LYS A 305 15.124 -1.802 19.477 1.00 25.00 C ATOM 129 CE LYS A 305 14.300 -2.266 20.685 1.00 25.00 C ATOM 130 NZ LYS A 305 13.765 -1.108 21.491 1.00 25.00 N ATOM 0 H LYS A 305 15.220 -3.835 15.977 1.00 25.00 H new ATOM 0 HA LYS A 305 15.378 -1.120 16.717 1.00 25.00 H new ATOM 0 HB2 LYS A 305 17.199 -3.488 17.268 1.00 25.00 H new ATOM 0 HB3 LYS A 305 17.399 -1.921 18.027 1.00 25.00 H new ATOM 0 HG2 LYS A 305 14.848 -3.565 18.266 1.00 25.00 H new ATOM 0 HG3 LYS A 305 16.176 -3.683 19.403 1.00 25.00 H new ATOM 0 HD2 LYS A 305 15.946 -1.170 19.812 1.00 25.00 H new ATOM 0 HD3 LYS A 305 14.504 -1.195 18.817 1.00 25.00 H new ATOM 0 HE2 LYS A 305 13.469 -2.881 20.340 1.00 25.00 H new ATOM 0 HE3 LYS A 305 14.919 -2.896 21.324 1.00 25.00 H new ATOM 0 HZ1 LYS A 305 13.215 -1.470 22.296 1.00 25.00 H new ATOM 0 HZ2 LYS A 305 14.558 -0.534 21.843 1.00 25.00 H new ATOM 0 HZ3 LYS A 305 13.153 -0.520 20.890 1.00 25.00 H new ATOM 144 N TYR A 306 17.812 -2.248 14.768 1.00 25.00 N ATOM 145 CA TYR A 306 18.881 -1.838 13.863 1.00 25.00 C ATOM 146 C TYR A 306 18.355 -1.028 12.677 1.00 25.00 C ATOM 147 O TYR A 306 19.076 -0.226 12.124 1.00 25.00 O ATOM 148 CB TYR A 306 19.638 -3.072 13.350 1.00 25.00 C ATOM 149 CG TYR A 306 20.423 -2.819 12.079 1.00 25.00 C ATOM 150 CD1 TYR A 306 21.625 -2.077 12.100 1.00 25.00 C ATOM 151 CD2 TYR A 306 19.957 -3.309 10.839 1.00 25.00 C ATOM 152 CE1 TYR A 306 22.336 -1.813 10.896 1.00 25.00 C ATOM 153 CE2 TYR A 306 20.665 -3.043 9.641 1.00 25.00 C ATOM 154 CZ TYR A 306 21.842 -2.294 9.681 1.00 25.00 C ATOM 155 OH TYR A 306 22.510 -2.025 8.516 1.00 25.00 O ATOM 0 H TYR A 306 17.648 -3.254 14.799 1.00 25.00 H new ATOM 0 HA TYR A 306 19.556 -1.196 14.429 1.00 25.00 H new ATOM 0 HB2 TYR A 306 20.321 -3.417 14.126 1.00 25.00 H new ATOM 0 HB3 TYR A 306 18.925 -3.877 13.172 1.00 25.00 H new ATOM 0 HD1 TYR A 306 22.008 -1.706 13.039 1.00 25.00 H new ATOM 0 HD2 TYR A 306 19.050 -3.894 10.804 1.00 25.00 H new ATOM 0 HE1 TYR A 306 23.253 -1.243 10.921 1.00 25.00 H new ATOM 0 HE2 TYR A 306 20.295 -3.419 8.699 1.00 25.00 H new ATOM 0 HH TYR A 306 22.033 -2.433 7.764 1.00 25.00 H new ATOM 165 N LYS A 307 17.104 -1.212 12.278 1.00 25.00 N ATOM 166 CA LYS A 307 16.605 -0.508 11.089 1.00 25.00 C ATOM 167 C LYS A 307 16.636 1.014 11.229 1.00 25.00 C ATOM 168 O LYS A 307 16.802 1.727 10.249 1.00 25.00 O ATOM 169 CB LYS A 307 15.208 -0.985 10.699 1.00 25.00 C ATOM 170 CG LYS A 307 14.905 -0.665 9.244 1.00 25.00 C ATOM 171 CD LYS A 307 13.680 -1.386 8.722 1.00 25.00 C ATOM 172 CE LYS A 307 13.617 -1.289 7.193 1.00 25.00 C ATOM 173 NZ LYS A 307 14.776 -2.018 6.556 1.00 25.00 N ATOM 0 H LYS A 307 16.428 -1.822 12.739 1.00 25.00 H new ATOM 0 HA LYS A 307 17.296 -0.762 10.285 1.00 25.00 H new ATOM 0 HB2 LYS A 307 15.129 -2.060 10.862 1.00 25.00 H new ATOM 0 HB3 LYS A 307 14.466 -0.510 11.341 1.00 25.00 H new ATOM 0 HG2 LYS A 307 14.760 0.410 9.137 1.00 25.00 H new ATOM 0 HG3 LYS A 307 15.766 -0.933 8.632 1.00 25.00 H new ATOM 0 HD2 LYS A 307 13.708 -2.432 9.026 1.00 25.00 H new ATOM 0 HD3 LYS A 307 12.780 -0.952 9.158 1.00 25.00 H new ATOM 0 HE2 LYS A 307 12.677 -1.711 6.837 1.00 25.00 H new ATOM 0 HE3 LYS A 307 13.631 -0.242 6.891 1.00 25.00 H new ATOM 0 HZ1 LYS A 307 14.576 -2.174 5.547 1.00 25.00 H new ATOM 0 HZ2 LYS A 307 15.640 -1.448 6.654 1.00 25.00 H new ATOM 0 HZ3 LYS A 307 14.911 -2.935 7.028 1.00 25.00 H new ATOM 187 N LYS A 308 16.504 1.534 12.441 1.00 25.00 N ATOM 188 CA LYS A 308 16.618 2.975 12.612 1.00 25.00 C ATOM 189 C LYS A 308 18.084 3.374 12.444 1.00 25.00 C ATOM 190 O LYS A 308 18.365 4.391 11.852 1.00 25.00 O ATOM 191 CB LYS A 308 16.050 3.430 13.964 1.00 25.00 C ATOM 192 CG LYS A 308 16.146 4.957 14.234 1.00 25.00 C ATOM 193 CD LYS A 308 15.703 5.855 13.048 1.00 25.00 C ATOM 194 CE LYS A 308 14.210 5.805 12.745 1.00 25.00 C ATOM 195 NZ LYS A 308 13.931 6.606 11.497 1.00 25.00 N ATOM 0 H LYS A 308 16.324 1.002 13.293 1.00 25.00 H new ATOM 0 HA LYS A 308 16.023 3.479 11.851 1.00 25.00 H new ATOM 0 HB2 LYS A 308 15.003 3.131 14.021 1.00 25.00 H new ATOM 0 HB3 LYS A 308 16.576 2.902 14.759 1.00 25.00 H new ATOM 0 HG2 LYS A 308 15.533 5.198 15.103 1.00 25.00 H new ATOM 0 HG3 LYS A 308 17.176 5.202 14.493 1.00 25.00 H new ATOM 0 HD2 LYS A 308 15.983 6.886 13.264 1.00 25.00 H new ATOM 0 HD3 LYS A 308 16.253 5.555 12.156 1.00 25.00 H new ATOM 0 HE2 LYS A 308 13.889 4.772 12.608 1.00 25.00 H new ATOM 0 HE3 LYS A 308 13.643 6.207 13.584 1.00 25.00 H new ATOM 0 HZ1 LYS A 308 12.917 6.834 11.450 1.00 25.00 H new ATOM 0 HZ2 LYS A 308 14.483 7.487 11.519 1.00 25.00 H new ATOM 0 HZ3 LYS A 308 14.200 6.050 10.660 1.00 25.00 H new ATOM 209 N VAL A 309 19.006 2.568 12.945 1.00 25.00 N ATOM 210 CA VAL A 309 20.443 2.850 12.805 1.00 25.00 C ATOM 211 C VAL A 309 20.837 2.781 11.328 1.00 25.00 C ATOM 212 O VAL A 309 21.622 3.588 10.849 1.00 25.00 O ATOM 213 CB VAL A 309 21.285 1.842 13.648 1.00 25.00 C ATOM 214 CG1 VAL A 309 22.785 2.051 13.450 1.00 25.00 C ATOM 215 CG2 VAL A 309 20.946 2.014 15.127 1.00 25.00 C ATOM 0 H VAL A 309 18.794 1.710 13.454 1.00 25.00 H new ATOM 0 HA VAL A 309 20.647 3.853 13.180 1.00 25.00 H new ATOM 0 HB VAL A 309 21.037 0.835 13.312 1.00 25.00 H new ATOM 0 HG11 VAL A 309 23.336 1.330 14.054 1.00 25.00 H new ATOM 0 HG12 VAL A 309 23.036 1.911 12.399 1.00 25.00 H new ATOM 0 HG13 VAL A 309 23.055 3.062 13.756 1.00 25.00 H new ATOM 0 HG21 VAL A 309 21.532 1.311 15.719 1.00 25.00 H new ATOM 0 HG22 VAL A 309 21.179 3.033 15.438 1.00 25.00 H new ATOM 0 HG23 VAL A 309 19.884 1.821 15.282 1.00 25.00 H new ATOM 225 N GLU A 310 20.253 1.829 10.615 1.00 25.00 N ATOM 226 CA GLU A 310 20.489 1.643 9.183 1.00 25.00 C ATOM 227 C GLU A 310 20.252 2.948 8.418 1.00 25.00 C ATOM 228 O GLU A 310 21.024 3.303 7.547 1.00 25.00 O ATOM 229 CB GLU A 310 19.557 0.528 8.677 1.00 25.00 C ATOM 230 CG GLU A 310 19.790 0.064 7.254 1.00 25.00 C ATOM 231 CD GLU A 310 19.002 -1.209 6.939 1.00 25.00 C ATOM 232 OE1 GLU A 310 17.747 -1.222 7.059 1.00 25.00 O ATOM 233 OE2 GLU A 310 19.641 -2.222 6.581 1.00 25.00 O ATOM 0 H GLU A 310 19.597 1.157 11.013 1.00 25.00 H new ATOM 0 HA GLU A 310 21.527 1.356 9.014 1.00 25.00 H new ATOM 0 HB2 GLU A 310 19.658 -0.332 9.340 1.00 25.00 H new ATOM 0 HB3 GLU A 310 18.527 0.876 8.761 1.00 25.00 H new ATOM 0 HG2 GLU A 310 19.499 0.853 6.561 1.00 25.00 H new ATOM 0 HG3 GLU A 310 20.854 -0.119 7.100 1.00 25.00 H new ATOM 240 N ILE A 311 19.192 3.663 8.766 1.00 25.00 N ATOM 241 CA ILE A 311 18.892 4.961 8.147 1.00 25.00 C ATOM 242 C ILE A 311 19.677 6.099 8.831 1.00 25.00 C ATOM 243 O ILE A 311 20.051 7.090 8.203 1.00 25.00 O ATOM 244 CB ILE A 311 17.353 5.252 8.215 1.00 25.00 C ATOM 245 CG1 ILE A 311 16.594 4.155 7.439 1.00 25.00 C ATOM 246 CG2 ILE A 311 17.012 6.651 7.614 1.00 25.00 C ATOM 247 CD1 ILE A 311 15.065 4.216 7.563 1.00 25.00 C ATOM 0 H ILE A 311 18.519 3.371 9.475 1.00 25.00 H new ATOM 0 HA ILE A 311 19.201 4.915 7.103 1.00 25.00 H new ATOM 0 HB ILE A 311 17.048 5.252 9.262 1.00 25.00 H new ATOM 0 HG12 ILE A 311 16.862 4.225 6.385 1.00 25.00 H new ATOM 0 HG13 ILE A 311 16.934 3.181 7.790 1.00 25.00 H new ATOM 0 HG21 ILE A 311 15.937 6.822 7.676 1.00 25.00 H new ATOM 0 HG22 ILE A 311 17.536 7.425 8.175 1.00 25.00 H new ATOM 0 HG23 ILE A 311 17.325 6.685 6.570 1.00 25.00 H new ATOM 0 HD11 ILE A 311 14.620 3.406 6.984 1.00 25.00 H new ATOM 0 HD12 ILE A 311 14.780 4.112 8.610 1.00 25.00 H new ATOM 0 HD13 ILE A 311 14.707 5.173 7.183 1.00 25.00 H new ATOM 259 N LYS A 312 19.915 5.966 10.130 1.00 25.00 N ATOM 260 CA LYS A 312 20.555 7.028 10.904 1.00 25.00 C ATOM 261 C LYS A 312 21.971 7.337 10.483 1.00 25.00 C ATOM 262 O LYS A 312 22.302 8.500 10.235 1.00 25.00 O ATOM 263 CB LYS A 312 20.520 6.712 12.395 1.00 25.00 C ATOM 264 CG LYS A 312 21.051 7.854 13.253 1.00 25.00 C ATOM 265 CD LYS A 312 20.941 7.567 14.746 1.00 25.00 C ATOM 266 CE LYS A 312 19.489 7.548 15.236 1.00 25.00 C ATOM 267 NZ LYS A 312 18.782 8.845 14.940 1.00 25.00 N ATOM 0 H LYS A 312 19.676 5.135 10.671 1.00 25.00 H new ATOM 0 HA LYS A 312 19.969 7.923 10.696 1.00 25.00 H new ATOM 0 HB2 LYS A 312 19.495 6.488 12.690 1.00 25.00 H new ATOM 0 HB3 LYS A 312 21.110 5.816 12.586 1.00 25.00 H new ATOM 0 HG2 LYS A 312 22.095 8.040 12.999 1.00 25.00 H new ATOM 0 HG3 LYS A 312 20.499 8.765 13.020 1.00 25.00 H new ATOM 0 HD2 LYS A 312 21.407 6.606 14.963 1.00 25.00 H new ATOM 0 HD3 LYS A 312 21.498 8.323 15.300 1.00 25.00 H new ATOM 0 HE2 LYS A 312 18.955 6.726 14.759 1.00 25.00 H new ATOM 0 HE3 LYS A 312 19.470 7.360 16.310 1.00 25.00 H new ATOM 0 HZ1 LYS A 312 18.141 9.078 15.725 1.00 25.00 H new ATOM 0 HZ2 LYS A 312 19.483 9.605 14.829 1.00 25.00 H new ATOM 0 HZ3 LYS A 312 18.234 8.749 14.062 1.00 25.00 H new ATOM 281 N GLU A 313 22.800 6.314 10.389 1.00 25.00 N ATOM 282 CA GLU A 313 24.196 6.518 10.008 1.00 25.00 C ATOM 283 C GLU A 313 24.265 6.906 8.534 1.00 25.00 C ATOM 284 O GLU A 313 25.234 7.493 8.076 1.00 25.00 O ATOM 285 CB GLU A 313 25.035 5.268 10.295 1.00 25.00 C ATOM 286 CG GLU A 313 24.827 4.675 11.700 1.00 25.00 C ATOM 287 CD GLU A 313 24.673 5.723 12.808 1.00 25.00 C ATOM 288 OE1 GLU A 313 25.562 6.583 12.968 1.00 25.00 O ATOM 289 OE2 GLU A 313 23.645 5.670 13.530 1.00 25.00 O ATOM 0 H GLU A 313 22.541 5.344 10.567 1.00 25.00 H new ATOM 0 HA GLU A 313 24.615 7.327 10.606 1.00 25.00 H new ATOM 0 HB2 GLU A 313 24.796 4.506 9.553 1.00 25.00 H new ATOM 0 HB3 GLU A 313 26.089 5.516 10.170 1.00 25.00 H new ATOM 0 HG2 GLU A 313 23.939 4.043 11.687 1.00 25.00 H new ATOM 0 HG3 GLU A 313 25.673 4.031 11.939 1.00 25.00 H new ATOM 296 N LEU A 314 23.192 6.595 7.812 1.00 25.00 N ATOM 297 CA LEU A 314 23.041 6.962 6.399 1.00 25.00 C ATOM 298 C LEU A 314 22.600 8.428 6.240 1.00 25.00 C ATOM 299 O LEU A 314 22.036 8.817 5.223 1.00 25.00 O ATOM 300 CB LEU A 314 22.051 6.004 5.708 1.00 25.00 C ATOM 301 CG LEU A 314 22.658 4.997 4.709 1.00 25.00 C ATOM 302 CD1 LEU A 314 23.319 5.715 3.521 1.00 25.00 C ATOM 303 CD2 LEU A 314 23.679 4.065 5.375 1.00 25.00 C ATOM 0 H LEU A 314 22.397 6.079 8.188 1.00 25.00 H new ATOM 0 HA LEU A 314 24.013 6.867 5.915 1.00 25.00 H new ATOM 0 HB2 LEU A 314 21.522 5.444 6.479 1.00 25.00 H new ATOM 0 HB3 LEU A 314 21.307 6.602 5.182 1.00 25.00 H new ATOM 0 HG LEU A 314 21.828 4.391 4.344 1.00 25.00 H new ATOM 0 HD11 LEU A 314 23.737 4.977 2.836 1.00 25.00 H new ATOM 0 HD12 LEU A 314 22.574 6.315 2.998 1.00 25.00 H new ATOM 0 HD13 LEU A 314 24.116 6.363 3.885 1.00 25.00 H new ATOM 0 HD21 LEU A 314 24.079 3.374 4.633 1.00 25.00 H new ATOM 0 HD22 LEU A 314 24.492 4.657 5.795 1.00 25.00 H new ATOM 0 HD23 LEU A 314 23.192 3.501 6.171 1.00 25.00 H new ATOM 315 N GLY A 315 22.889 9.235 7.253 1.00 25.00 N ATOM 316 CA GLY A 315 22.637 10.671 7.193 1.00 25.00 C ATOM 317 C GLY A 315 21.377 11.246 7.820 1.00 25.00 C ATOM 318 O GLY A 315 21.126 12.442 7.685 1.00 25.00 O ATOM 0 H GLY A 315 23.300 8.918 8.131 1.00 25.00 H new ATOM 0 HA2 GLY A 315 23.488 11.170 7.658 1.00 25.00 H new ATOM 0 HA3 GLY A 315 22.636 10.957 6.141 1.00 25.00 H new ATOM 322 N GLU A 316 20.594 10.464 8.554 1.00 25.00 N ATOM 323 CA GLU A 316 19.441 11.033 9.277 1.00 25.00 C ATOM 324 C GLU A 316 19.978 12.051 10.293 1.00 25.00 C ATOM 325 O GLU A 316 19.299 13.007 10.669 1.00 25.00 O ATOM 326 CB GLU A 316 18.672 9.949 10.026 1.00 25.00 C ATOM 327 CG GLU A 316 17.303 10.360 10.537 1.00 25.00 C ATOM 328 CD GLU A 316 16.716 9.324 11.493 1.00 25.00 C ATOM 329 OE1 GLU A 316 17.351 9.037 12.541 1.00 25.00 O ATOM 330 OE2 GLU A 316 15.615 8.797 11.217 1.00 25.00 O ATOM 0 H GLU A 316 20.723 9.459 8.669 1.00 25.00 H new ATOM 0 HA GLU A 316 18.764 11.500 8.562 1.00 25.00 H new ATOM 0 HB2 GLU A 316 18.552 9.090 9.366 1.00 25.00 H new ATOM 0 HB3 GLU A 316 19.274 9.619 10.873 1.00 25.00 H new ATOM 0 HG2 GLU A 316 17.379 11.321 11.046 1.00 25.00 H new ATOM 0 HG3 GLU A 316 16.627 10.499 9.693 1.00 25.00 H new ATOM 337 N LEU A 317 21.223 11.842 10.711 1.00 25.00 N ATOM 338 CA LEU A 317 21.922 12.738 11.642 1.00 25.00 C ATOM 339 C LEU A 317 22.099 14.152 11.075 1.00 25.00 C ATOM 340 O LEU A 317 22.338 15.106 11.822 1.00 25.00 O ATOM 341 CB LEU A 317 23.312 12.162 11.950 1.00 25.00 C ATOM 342 CG LEU A 317 23.354 10.820 12.667 1.00 25.00 C ATOM 343 CD1 LEU A 317 24.717 10.235 12.409 1.00 25.00 C ATOM 344 CD2 LEU A 317 23.114 11.026 14.151 1.00 25.00 C ATOM 0 H LEU A 317 21.783 11.043 10.415 1.00 25.00 H new ATOM 0 HA LEU A 317 21.311 12.809 12.542 1.00 25.00 H new ATOM 0 HB2 LEU A 317 23.855 12.062 11.010 1.00 25.00 H new ATOM 0 HB3 LEU A 317 23.854 12.888 12.556 1.00 25.00 H new ATOM 0 HG LEU A 317 22.580 10.143 12.306 1.00 25.00 H new ATOM 0 HD11 LEU A 317 24.797 9.268 12.905 1.00 25.00 H new ATOM 0 HD12 LEU A 317 24.861 10.106 11.336 1.00 25.00 H new ATOM 0 HD13 LEU A 317 25.481 10.907 12.799 1.00 25.00 H new ATOM 0 HD21 LEU A 317 23.145 10.063 14.662 1.00 25.00 H new ATOM 0 HD22 LEU A 317 23.888 11.677 14.558 1.00 25.00 H new ATOM 0 HD23 LEU A 317 22.137 11.485 14.301 1.00 25.00 H new ATOM 356 N ARG A 318 21.987 14.282 9.758 1.00 25.00 N ATOM 357 CA ARG A 318 22.080 15.579 9.074 1.00 25.00 C ATOM 358 C ARG A 318 20.743 15.963 8.465 1.00 25.00 C ATOM 359 O ARG A 318 20.628 17.001 7.838 1.00 25.00 O ATOM 360 CB ARG A 318 23.135 15.509 7.957 1.00 25.00 C ATOM 361 CG ARG A 318 24.567 15.167 8.412 1.00 25.00 C ATOM 362 CD ARG A 318 25.240 16.318 9.170 1.00 25.00 C ATOM 363 NE ARG A 318 24.716 16.461 10.540 1.00 25.00 N ATOM 364 CZ ARG A 318 25.030 17.425 11.391 1.00 25.00 C ATOM 365 NH1 ARG A 318 25.880 18.377 11.094 1.00 25.00 N ATOM 366 NH2 ARG A 318 24.461 17.428 12.564 1.00 25.00 N ATOM 0 H ARG A 318 21.829 13.495 9.129 1.00 25.00 H new ATOM 0 HA ARG A 318 22.367 16.330 9.810 1.00 25.00 H new ATOM 0 HB2 ARG A 318 22.817 14.763 7.228 1.00 25.00 H new ATOM 0 HB3 ARG A 318 23.157 16.469 7.442 1.00 25.00 H new ATOM 0 HG2 ARG A 318 24.539 14.284 9.051 1.00 25.00 H new ATOM 0 HG3 ARG A 318 25.169 14.911 7.540 1.00 25.00 H new ATOM 0 HD2 ARG A 318 26.315 16.145 9.210 1.00 25.00 H new ATOM 0 HD3 ARG A 318 25.087 17.249 8.625 1.00 25.00 H new ATOM 0 HE ARG A 318 24.053 15.755 10.861 1.00 25.00 H new ATOM 0 HH11 ARG A 318 26.327 18.394 10.177 1.00 25.00 H new ATOM 0 HH12 ARG A 318 26.094 19.101 11.779 1.00 25.00 H new ATOM 0 HH21 ARG A 318 23.791 16.698 12.808 1.00 25.00 H new ATOM 0 HH22 ARG A 318 24.686 18.160 13.238 1.00 25.00 H new ATOM 380 N LYS A 319 19.752 15.097 8.667 1.00 25.00 N ATOM 381 CA LYS A 319 18.411 15.202 8.059 1.00 25.00 C ATOM 382 C LYS A 319 18.518 15.032 6.547 1.00 25.00 C ATOM 383 O LYS A 319 17.675 15.504 5.797 1.00 25.00 O ATOM 384 CB LYS A 319 17.685 16.515 8.416 1.00 25.00 C ATOM 385 CG LYS A 319 17.430 16.722 9.920 1.00 25.00 C ATOM 386 CD LYS A 319 16.514 15.643 10.551 1.00 25.00 C ATOM 387 CE LYS A 319 15.138 15.541 9.865 1.00 25.00 C ATOM 388 NZ LYS A 319 14.414 16.861 9.823 1.00 25.00 N ATOM 0 H LYS A 319 19.853 14.281 9.271 1.00 25.00 H new ATOM 0 HA LYS A 319 17.802 14.400 8.476 1.00 25.00 H new ATOM 0 HB2 LYS A 319 18.274 17.353 8.043 1.00 25.00 H new ATOM 0 HB3 LYS A 319 16.729 16.539 7.893 1.00 25.00 H new ATOM 0 HG2 LYS A 319 18.386 16.726 10.444 1.00 25.00 H new ATOM 0 HG3 LYS A 319 16.979 17.703 10.071 1.00 25.00 H new ATOM 0 HD2 LYS A 319 17.013 14.675 10.497 1.00 25.00 H new ATOM 0 HD3 LYS A 319 16.371 15.869 11.608 1.00 25.00 H new ATOM 0 HE2 LYS A 319 15.269 15.170 8.849 1.00 25.00 H new ATOM 0 HE3 LYS A 319 14.525 14.811 10.394 1.00 25.00 H new ATOM 0 HZ1 LYS A 319 13.461 16.722 9.429 1.00 25.00 H new ATOM 0 HZ2 LYS A 319 14.338 17.246 10.786 1.00 25.00 H new ATOM 0 HZ3 LYS A 319 14.942 17.528 9.225 1.00 25.00 H new ATOM 402 N GLU A 320 19.556 14.322 6.138 1.00 25.00 N ATOM 403 CA GLU A 320 19.820 13.993 4.740 1.00 25.00 C ATOM 404 C GLU A 320 19.945 12.460 4.666 1.00 25.00 C ATOM 405 O GLU A 320 21.035 11.932 4.483 1.00 25.00 O ATOM 406 CB GLU A 320 21.128 14.663 4.286 1.00 25.00 C ATOM 407 CG GLU A 320 21.087 16.193 4.327 1.00 25.00 C ATOM 408 CD GLU A 320 22.448 16.824 4.047 1.00 25.00 C ATOM 409 OE1 GLU A 320 23.394 16.597 4.841 1.00 25.00 O ATOM 410 OE2 GLU A 320 22.573 17.557 3.041 1.00 25.00 O ATOM 0 H GLU A 320 20.256 13.949 6.779 1.00 25.00 H new ATOM 0 HA GLU A 320 19.022 14.348 4.088 1.00 25.00 H new ATOM 0 HB2 GLU A 320 21.943 14.314 4.920 1.00 25.00 H new ATOM 0 HB3 GLU A 320 21.355 14.342 3.269 1.00 25.00 H new ATOM 0 HG2 GLU A 320 20.366 16.553 3.593 1.00 25.00 H new ATOM 0 HG3 GLU A 320 20.735 16.517 5.306 1.00 25.00 H new ATOM 417 N PRO A 321 18.825 11.727 4.852 1.00 25.00 N ATOM 418 CA PRO A 321 18.932 10.264 4.867 1.00 25.00 C ATOM 419 C PRO A 321 19.024 9.645 3.475 1.00 25.00 C ATOM 420 O PRO A 321 18.906 10.337 2.467 1.00 25.00 O ATOM 421 CB PRO A 321 17.626 9.850 5.544 1.00 25.00 C ATOM 422 CG PRO A 321 16.660 10.854 5.064 1.00 25.00 C ATOM 423 CD PRO A 321 17.428 12.155 5.070 1.00 25.00 C ATOM 0 HA PRO A 321 19.840 9.928 5.369 1.00 25.00 H new ATOM 0 HB2 PRO A 321 17.330 8.840 5.262 1.00 25.00 H new ATOM 0 HB3 PRO A 321 17.714 9.864 6.630 1.00 25.00 H new ATOM 0 HG2 PRO A 321 16.299 10.611 4.064 1.00 25.00 H new ATOM 0 HG3 PRO A 321 15.787 10.906 5.714 1.00 25.00 H new ATOM 0 HD2 PRO A 321 17.086 12.827 4.283 1.00 25.00 H new ATOM 0 HD3 PRO A 321 17.313 12.686 6.015 1.00 25.00 H new ATOM 431 N SER A 322 19.218 8.332 3.436 1.00 25.00 N ATOM 432 CA SER A 322 19.279 7.601 2.171 1.00 25.00 C ATOM 433 C SER A 322 17.956 7.727 1.423 1.00 25.00 C ATOM 434 O SER A 322 16.885 7.762 2.042 1.00 25.00 O ATOM 435 CB SER A 322 19.562 6.121 2.435 1.00 25.00 C ATOM 436 OG SER A 322 19.756 5.403 1.226 1.00 25.00 O ATOM 0 H SER A 322 19.336 7.749 4.265 1.00 25.00 H new ATOM 0 HA SER A 322 20.080 8.027 1.566 1.00 25.00 H new ATOM 0 HB2 SER A 322 20.449 6.026 3.062 1.00 25.00 H new ATOM 0 HB3 SER A 322 18.731 5.684 2.989 1.00 25.00 H new ATOM 0 HG SER A 322 19.936 4.462 1.430 1.00 25.00 H new