USER MOD reduce.3.24.130724 H: found=0, std=0, add=236, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 240 hydrogens (4 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 303 SEP H2 : A 303 SEP N : A 302 LYS C :(H bumps) USER MOD NoAdj-H: A 303 SEP H : A 303 SEP N : A 302 LYS C :(H bumps) USER MOD Single : A 298 THR OG1 : rot 102:sc= 1.21 USER MOD Single : A 299 ASN : amide:sc= -0.132 K(o=-0.13,f=-1.8!) USER MOD Single : A 302 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 305 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0591) USER MOD Single : A 306 TYR OH : rot 180:sc= 0 USER MOD Single : A 307 LYS NZ :NH3+ -146:sc= 1.95 (180deg=0.152) USER MOD Single : A 308 LYS NZ :NH3+ 175:sc= 0.753 (180deg=0.698) USER MOD Single : A 312 LYS NZ :NH3+ -151:sc= 0.948 (180deg=0.373) USER MOD Single : A 319 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 322 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 298 21.723 -14.443 8.501 1.00 25.00 N ATOM 2 CA THR A 298 21.251 -15.184 9.707 1.00 25.00 C ATOM 3 C THR A 298 19.778 -15.508 9.573 1.00 25.00 C ATOM 4 O THR A 298 19.125 -14.956 8.712 1.00 25.00 O ATOM 5 CB THR A 298 21.457 -14.320 10.963 1.00 25.00 C ATOM 6 OG1 THR A 298 21.291 -12.946 10.615 1.00 25.00 O ATOM 7 CG2 THR A 298 22.859 -14.496 11.527 1.00 25.00 C ATOM 0 HA THR A 298 21.823 -16.108 9.795 1.00 25.00 H new ATOM 0 HB THR A 298 20.728 -14.630 11.712 1.00 25.00 H new ATOM 0 HG1 THR A 298 20.406 -12.640 10.905 1.00 25.00 H new ATOM 0 HG21 THR A 298 22.975 -13.873 12.414 1.00 25.00 H new ATOM 0 HG22 THR A 298 23.015 -15.541 11.794 1.00 25.00 H new ATOM 0 HG23 THR A 298 23.593 -14.200 10.777 1.00 25.00 H new ATOM 17 N ASN A 299 19.246 -16.386 10.422 1.00 25.00 N ATOM 18 CA ASN A 299 17.825 -16.779 10.344 1.00 25.00 C ATOM 19 C ASN A 299 16.916 -15.806 11.116 1.00 25.00 C ATOM 20 O ASN A 299 15.819 -16.144 11.545 1.00 25.00 O ATOM 21 CB ASN A 299 17.642 -18.209 10.869 1.00 25.00 C ATOM 22 CG ASN A 299 16.352 -18.839 10.384 1.00 25.00 C ATOM 23 OD1 ASN A 299 15.818 -18.459 9.362 1.00 25.00 O ATOM 24 ND2 ASN A 299 15.862 -19.808 11.108 1.00 25.00 N ATOM 0 H ASN A 299 19.768 -16.841 11.171 1.00 25.00 H new ATOM 0 HA ASN A 299 17.530 -16.740 9.296 1.00 25.00 H new ATOM 0 HB2 ASN A 299 18.485 -18.822 10.550 1.00 25.00 H new ATOM 0 HB3 ASN A 299 17.651 -18.197 11.959 1.00 25.00 H new ATOM 0 HD21 ASN A 299 15.001 -20.274 10.821 1.00 25.00 H new ATOM 0 HD22 ASN A 299 16.340 -20.099 11.961 1.00 25.00 H new ATOM 31 N ARG A 300 17.411 -14.590 11.292 1.00 25.00 N ATOM 32 CA ARG A 300 16.695 -13.490 11.932 1.00 25.00 C ATOM 33 C ARG A 300 17.465 -12.289 11.416 1.00 25.00 C ATOM 34 O ARG A 300 18.694 -12.362 11.355 1.00 25.00 O ATOM 35 CB ARG A 300 16.784 -13.578 13.464 1.00 25.00 C ATOM 36 CG ARG A 300 15.465 -13.258 14.179 1.00 25.00 C ATOM 37 CD ARG A 300 14.511 -14.461 14.192 1.00 25.00 C ATOM 38 NE ARG A 300 14.900 -15.470 15.197 1.00 25.00 N ATOM 39 CZ ARG A 300 14.403 -16.701 15.281 1.00 25.00 C ATOM 40 NH1 ARG A 300 13.509 -17.155 14.439 1.00 25.00 N ATOM 41 NH2 ARG A 300 14.814 -17.489 16.237 1.00 25.00 N ATOM 0 H ARG A 300 18.349 -14.331 10.986 1.00 25.00 H new ATOM 0 HA ARG A 300 15.628 -13.471 11.711 1.00 25.00 H new ATOM 0 HB2 ARG A 300 17.104 -14.582 13.743 1.00 25.00 H new ATOM 0 HB3 ARG A 300 17.553 -12.890 13.814 1.00 25.00 H new ATOM 0 HG2 ARG A 300 15.674 -12.950 15.203 1.00 25.00 H new ATOM 0 HG3 ARG A 300 14.980 -12.416 13.685 1.00 25.00 H new ATOM 0 HD2 ARG A 300 13.498 -14.117 14.399 1.00 25.00 H new ATOM 0 HD3 ARG A 300 14.496 -14.921 13.204 1.00 25.00 H new ATOM 0 HE ARG A 300 15.607 -15.202 15.882 1.00 25.00 H new ATOM 0 HH11 ARG A 300 13.169 -16.558 13.685 1.00 25.00 H new ATOM 0 HH12 ARG A 300 13.152 -18.106 14.537 1.00 25.00 H new ATOM 0 HH21 ARG A 300 15.508 -17.158 16.908 1.00 25.00 H new ATOM 0 HH22 ARG A 300 14.441 -18.435 16.313 1.00 25.00 H new ATOM 55 N ARG A 301 16.791 -11.212 11.033 1.00 25.00 N ATOM 56 CA ARG A 301 17.490 -10.043 10.472 1.00 25.00 C ATOM 57 C ARG A 301 18.075 -9.113 11.539 1.00 25.00 C ATOM 58 O ARG A 301 18.800 -8.193 11.213 1.00 25.00 O ATOM 59 CB ARG A 301 16.562 -9.266 9.522 1.00 25.00 C ATOM 60 CG ARG A 301 16.071 -10.125 8.340 1.00 25.00 C ATOM 61 CD ARG A 301 15.761 -9.307 7.076 1.00 25.00 C ATOM 62 NE ARG A 301 14.656 -8.359 7.264 1.00 25.00 N ATOM 63 CZ ARG A 301 14.020 -7.703 6.302 1.00 25.00 C ATOM 64 NH1 ARG A 301 14.314 -7.847 5.031 1.00 25.00 N ATOM 65 NH2 ARG A 301 13.065 -6.887 6.633 1.00 25.00 N ATOM 0 H ARG A 301 15.778 -11.115 11.095 1.00 25.00 H new ATOM 0 HA ARG A 301 18.339 -10.432 9.910 1.00 25.00 H new ATOM 0 HB2 ARG A 301 15.702 -8.898 10.081 1.00 25.00 H new ATOM 0 HB3 ARG A 301 17.090 -8.393 9.138 1.00 25.00 H new ATOM 0 HG2 ARG A 301 16.829 -10.871 8.104 1.00 25.00 H new ATOM 0 HG3 ARG A 301 15.174 -10.666 8.642 1.00 25.00 H new ATOM 0 HD2 ARG A 301 16.655 -8.760 6.775 1.00 25.00 H new ATOM 0 HD3 ARG A 301 15.514 -9.987 6.261 1.00 25.00 H new ATOM 0 HE ARG A 301 14.349 -8.189 8.222 1.00 25.00 H new ATOM 0 HH11 ARG A 301 15.059 -8.484 4.749 1.00 25.00 H new ATOM 0 HH12 ARG A 301 13.798 -7.322 4.325 1.00 25.00 H new ATOM 0 HH21 ARG A 301 12.819 -6.762 7.615 1.00 25.00 H new ATOM 0 HH22 ARG A 301 12.562 -6.371 5.911 1.00 25.00 H new ATOM 79 N LYS A 302 17.766 -9.389 12.808 1.00 25.00 N ATOM 80 CA LYS A 302 18.281 -8.615 13.965 1.00 25.00 C ATOM 81 C LYS A 302 17.922 -7.130 13.866 1.00 25.00 C ATOM 82 O LYS A 302 18.723 -6.273 14.214 1.00 25.00 O ATOM 83 CB LYS A 302 19.811 -8.750 14.100 1.00 25.00 C ATOM 84 CG LYS A 302 20.311 -10.148 14.450 1.00 25.00 C ATOM 85 CD LYS A 302 21.846 -10.255 14.302 1.00 25.00 C ATOM 86 CE LYS A 302 22.633 -9.218 15.144 1.00 25.00 C ATOM 87 NZ LYS A 302 22.407 -9.343 16.629 1.00 25.00 N ATOM 0 H LYS A 302 17.150 -10.157 13.075 1.00 25.00 H new ATOM 0 HA LYS A 302 17.801 -9.036 14.848 1.00 25.00 H new ATOM 0 HB2 LYS A 302 20.271 -8.441 13.161 1.00 25.00 H new ATOM 0 HB3 LYS A 302 20.155 -8.056 14.867 1.00 25.00 H new ATOM 0 HG2 LYS A 302 20.025 -10.392 15.473 1.00 25.00 H new ATOM 0 HG3 LYS A 302 19.830 -10.880 13.802 1.00 25.00 H new ATOM 0 HD2 LYS A 302 22.160 -11.258 14.593 1.00 25.00 H new ATOM 0 HD3 LYS A 302 22.109 -10.130 13.252 1.00 25.00 H new ATOM 0 HE2 LYS A 302 23.697 -9.329 14.937 1.00 25.00 H new ATOM 0 HE3 LYS A 302 22.349 -8.215 14.826 1.00 25.00 H new ATOM 0 HZ1 LYS A 302 22.964 -8.619 17.127 1.00 25.00 H new ATOM 0 HZ2 LYS A 302 21.397 -9.209 16.839 1.00 25.00 H new ATOM 0 HZ3 LYS A 302 22.704 -10.288 16.947 1.00 25.00 H new HETATM 101 N SEP A 303 16.711 -6.856 13.399 1.00 25.00 N HETATM 102 CA SEP A 303 16.322 -5.548 12.825 1.00 25.00 C HETATM 103 CB SEP A 303 16.330 -5.646 11.298 1.00 25.00 C HETATM 104 OG SEP A 303 15.286 -6.472 10.877 1.00 25.00 O HETATM 105 C SEP A 303 14.961 -5.079 13.399 1.00 25.00 C HETATM 106 O SEP A 303 14.647 -5.466 14.542 1.00 25.00 O HETATM 107 P SEP A 303 14.329 -6.010 9.702 1.00 25.00 P HETATM 108 O1P SEP A 303 13.652 -4.823 10.240 1.00 25.00 O HETATM 109 O2P SEP A 303 15.248 -5.727 8.586 1.00 25.00 O HETATM 110 O3P SEP A 303 13.457 -7.179 9.486 1.00 25.00 O HETATM 0 HB3 SEP A 303 16.222 -4.654 10.859 1.00 25.00 H new HETATM 0 HB2 SEP A 303 17.284 -6.045 10.954 1.00 25.00 H new HETATM 0 HA SEP A 303 17.045 -4.784 13.109 1.00 25.00 H new ATOM 115 N GLY A 304 14.527 -3.908 12.925 1.00 25.00 N ATOM 116 CA GLY A 304 13.596 -3.041 13.644 1.00 25.00 C ATOM 117 C GLY A 304 14.349 -2.100 14.553 1.00 25.00 C ATOM 118 O GLY A 304 14.451 -0.905 14.288 1.00 25.00 O ATOM 0 H GLY A 304 14.817 -3.533 12.022 1.00 25.00 H new ATOM 0 HA2 GLY A 304 12.998 -2.470 12.934 1.00 25.00 H new ATOM 0 HA3 GLY A 304 12.904 -3.646 14.229 1.00 25.00 H new ATOM 122 N LYS A 305 14.912 -2.637 15.626 1.00 25.00 N ATOM 123 CA LYS A 305 15.688 -1.813 16.556 1.00 25.00 C ATOM 124 C LYS A 305 16.917 -1.279 15.838 1.00 25.00 C ATOM 125 O LYS A 305 17.271 -0.115 15.972 1.00 25.00 O ATOM 126 CB LYS A 305 16.111 -2.615 17.791 1.00 25.00 C ATOM 127 CG LYS A 305 14.932 -3.027 18.680 1.00 25.00 C ATOM 128 CD LYS A 305 15.385 -3.781 19.943 1.00 25.00 C ATOM 129 CE LYS A 305 16.081 -2.871 20.975 1.00 25.00 C ATOM 130 NZ LYS A 305 15.140 -1.851 21.568 1.00 25.00 N ATOM 0 H LYS A 305 14.851 -3.624 15.876 1.00 25.00 H new ATOM 0 HA LYS A 305 15.064 -0.986 16.895 1.00 25.00 H new ATOM 0 HB2 LYS A 305 16.644 -3.510 17.469 1.00 25.00 H new ATOM 0 HB3 LYS A 305 16.810 -2.021 18.379 1.00 25.00 H new ATOM 0 HG2 LYS A 305 14.373 -2.138 18.972 1.00 25.00 H new ATOM 0 HG3 LYS A 305 14.252 -3.658 18.108 1.00 25.00 H new ATOM 0 HD2 LYS A 305 14.519 -4.251 20.408 1.00 25.00 H new ATOM 0 HD3 LYS A 305 16.066 -4.582 19.656 1.00 25.00 H new ATOM 0 HE2 LYS A 305 16.498 -3.484 21.774 1.00 25.00 H new ATOM 0 HE3 LYS A 305 16.916 -2.357 20.498 1.00 25.00 H new ATOM 0 HZ1 LYS A 305 15.608 -1.366 22.360 1.00 25.00 H new ATOM 0 HZ2 LYS A 305 14.880 -1.154 20.841 1.00 25.00 H new ATOM 0 HZ3 LYS A 305 14.283 -2.328 21.912 1.00 25.00 H new ATOM 144 N TYR A 306 17.556 -2.139 15.062 1.00 25.00 N ATOM 145 CA TYR A 306 18.739 -1.743 14.308 1.00 25.00 C ATOM 146 C TYR A 306 18.368 -1.027 13.016 1.00 25.00 C ATOM 147 O TYR A 306 19.188 -0.328 12.460 1.00 25.00 O ATOM 148 CB TYR A 306 19.611 -2.957 13.998 1.00 25.00 C ATOM 149 CG TYR A 306 20.411 -3.430 15.196 1.00 25.00 C ATOM 150 CD1 TYR A 306 19.841 -4.276 16.172 1.00 25.00 C ATOM 151 CD2 TYR A 306 21.751 -3.019 15.369 1.00 25.00 C ATOM 152 CE1 TYR A 306 20.598 -4.714 17.291 1.00 25.00 C ATOM 153 CE2 TYR A 306 22.510 -3.457 16.487 1.00 25.00 C ATOM 154 CZ TYR A 306 21.925 -4.305 17.433 1.00 25.00 C ATOM 155 OH TYR A 306 22.655 -4.740 18.510 1.00 25.00 O ATOM 0 H TYR A 306 17.279 -3.113 14.936 1.00 25.00 H new ATOM 0 HA TYR A 306 19.303 -1.048 14.930 1.00 25.00 H new ATOM 0 HB2 TYR A 306 18.979 -3.772 13.645 1.00 25.00 H new ATOM 0 HB3 TYR A 306 20.294 -2.709 13.186 1.00 25.00 H new ATOM 0 HD1 TYR A 306 18.815 -4.595 16.066 1.00 25.00 H new ATOM 0 HD2 TYR A 306 22.205 -2.363 14.641 1.00 25.00 H new ATOM 0 HE1 TYR A 306 20.148 -5.361 18.029 1.00 25.00 H new ATOM 0 HE2 TYR A 306 23.534 -3.137 16.606 1.00 25.00 H new ATOM 0 HH TYR A 306 23.560 -4.368 18.463 1.00 25.00 H new ATOM 165 N LYS A 307 17.134 -1.175 12.546 1.00 25.00 N ATOM 166 CA LYS A 307 16.714 -0.485 11.316 1.00 25.00 C ATOM 167 C LYS A 307 16.783 1.022 11.505 1.00 25.00 C ATOM 168 O LYS A 307 17.065 1.757 10.577 1.00 25.00 O ATOM 169 CB LYS A 307 15.292 -0.877 10.902 1.00 25.00 C ATOM 170 CG LYS A 307 15.239 -1.914 9.786 1.00 25.00 C ATOM 171 CD LYS A 307 15.599 -1.306 8.429 1.00 25.00 C ATOM 172 CE LYS A 307 15.507 -2.333 7.301 1.00 25.00 C ATOM 173 NZ LYS A 307 16.508 -3.440 7.459 1.00 25.00 N ATOM 0 H LYS A 307 16.415 -1.752 12.982 1.00 25.00 H new ATOM 0 HA LYS A 307 17.399 -0.790 10.525 1.00 25.00 H new ATOM 0 HB2 LYS A 307 14.765 -1.267 11.773 1.00 25.00 H new ATOM 0 HB3 LYS A 307 14.758 0.017 10.580 1.00 25.00 H new ATOM 0 HG2 LYS A 307 15.927 -2.728 10.013 1.00 25.00 H new ATOM 0 HG3 LYS A 307 14.239 -2.345 9.738 1.00 25.00 H new ATOM 0 HD2 LYS A 307 14.930 -0.472 8.216 1.00 25.00 H new ATOM 0 HD3 LYS A 307 16.610 -0.901 8.470 1.00 25.00 H new ATOM 0 HE2 LYS A 307 14.502 -2.755 7.277 1.00 25.00 H new ATOM 0 HE3 LYS A 307 15.667 -1.835 6.345 1.00 25.00 H new ATOM 0 HZ1 LYS A 307 16.830 -3.754 6.521 1.00 25.00 H new ATOM 0 HZ2 LYS A 307 17.322 -3.096 8.007 1.00 25.00 H new ATOM 0 HZ3 LYS A 307 16.067 -4.238 7.958 1.00 25.00 H new ATOM 187 N LYS A 308 16.539 1.490 12.720 1.00 25.00 N ATOM 188 CA LYS A 308 16.632 2.922 12.986 1.00 25.00 C ATOM 189 C LYS A 308 18.077 3.401 12.839 1.00 25.00 C ATOM 190 O LYS A 308 18.315 4.493 12.356 1.00 25.00 O ATOM 191 CB LYS A 308 16.077 3.253 14.378 1.00 25.00 C ATOM 192 CG LYS A 308 15.945 4.761 14.671 1.00 25.00 C ATOM 193 CD LYS A 308 14.991 5.462 13.691 1.00 25.00 C ATOM 194 CE LYS A 308 14.839 6.936 14.026 1.00 25.00 C ATOM 195 NZ LYS A 308 14.042 7.637 12.966 1.00 25.00 N ATOM 0 H LYS A 308 16.281 0.916 13.523 1.00 25.00 H new ATOM 0 HA LYS A 308 16.025 3.451 12.251 1.00 25.00 H new ATOM 0 HB2 LYS A 308 15.097 2.788 14.485 1.00 25.00 H new ATOM 0 HB3 LYS A 308 16.726 2.805 15.130 1.00 25.00 H new ATOM 0 HG2 LYS A 308 15.584 4.901 15.690 1.00 25.00 H new ATOM 0 HG3 LYS A 308 16.928 5.228 14.615 1.00 25.00 H new ATOM 0 HD2 LYS A 308 15.368 5.355 12.674 1.00 25.00 H new ATOM 0 HD3 LYS A 308 14.015 4.978 13.721 1.00 25.00 H new ATOM 0 HE2 LYS A 308 14.346 7.046 14.992 1.00 25.00 H new ATOM 0 HE3 LYS A 308 15.822 7.398 14.115 1.00 25.00 H new ATOM 0 HZ1 LYS A 308 13.876 8.623 13.252 1.00 25.00 H new ATOM 0 HZ2 LYS A 308 14.568 7.621 12.069 1.00 25.00 H new ATOM 0 HZ3 LYS A 308 13.129 7.154 12.841 1.00 25.00 H new ATOM 209 N VAL A 309 19.030 2.571 13.240 1.00 25.00 N ATOM 210 CA VAL A 309 20.457 2.900 13.110 1.00 25.00 C ATOM 211 C VAL A 309 20.861 2.797 11.647 1.00 25.00 C ATOM 212 O VAL A 309 21.634 3.595 11.156 1.00 25.00 O ATOM 213 CB VAL A 309 21.327 1.949 13.985 1.00 25.00 C ATOM 214 CG1 VAL A 309 22.827 2.159 13.742 1.00 25.00 C ATOM 215 CG2 VAL A 309 21.021 2.205 15.452 1.00 25.00 C ATOM 0 H VAL A 309 18.847 1.660 13.661 1.00 25.00 H new ATOM 0 HA VAL A 309 20.623 3.918 13.462 1.00 25.00 H new ATOM 0 HB VAL A 309 21.083 0.923 13.711 1.00 25.00 H new ATOM 0 HG11 VAL A 309 23.397 1.476 14.372 1.00 25.00 H new ATOM 0 HG12 VAL A 309 23.057 1.964 12.695 1.00 25.00 H new ATOM 0 HG13 VAL A 309 23.095 3.187 13.986 1.00 25.00 H new ATOM 0 HG21 VAL A 309 21.626 1.543 16.071 1.00 25.00 H new ATOM 0 HG22 VAL A 309 21.252 3.242 15.696 1.00 25.00 H new ATOM 0 HG23 VAL A 309 19.965 2.014 15.642 1.00 25.00 H new ATOM 225 N GLU A 310 20.304 1.821 10.954 1.00 25.00 N ATOM 226 CA GLU A 310 20.568 1.619 9.533 1.00 25.00 C ATOM 227 C GLU A 310 20.271 2.914 8.772 1.00 25.00 C ATOM 228 O GLU A 310 21.062 3.358 7.956 1.00 25.00 O ATOM 229 CB GLU A 310 19.684 0.461 9.052 1.00 25.00 C ATOM 230 CG GLU A 310 20.081 -0.216 7.762 1.00 25.00 C ATOM 231 CD GLU A 310 19.163 -1.408 7.480 1.00 25.00 C ATOM 232 OE1 GLU A 310 18.974 -2.250 8.393 1.00 25.00 O ATOM 233 OE2 GLU A 310 18.611 -1.508 6.367 1.00 25.00 O ATOM 0 H GLU A 310 19.656 1.144 11.356 1.00 25.00 H new ATOM 0 HA GLU A 310 21.613 1.367 9.354 1.00 25.00 H new ATOM 0 HB2 GLU A 310 19.659 -0.295 9.837 1.00 25.00 H new ATOM 0 HB3 GLU A 310 18.667 0.836 8.938 1.00 25.00 H new ATOM 0 HG2 GLU A 310 20.026 0.496 6.938 1.00 25.00 H new ATOM 0 HG3 GLU A 310 21.116 -0.553 7.824 1.00 25.00 H new ATOM 240 N ILE A 311 19.135 3.533 9.067 1.00 25.00 N ATOM 241 CA ILE A 311 18.756 4.798 8.430 1.00 25.00 C ATOM 242 C ILE A 311 19.562 5.970 9.035 1.00 25.00 C ATOM 243 O ILE A 311 19.912 6.924 8.339 1.00 25.00 O ATOM 244 CB ILE A 311 17.215 5.058 8.577 1.00 25.00 C ATOM 245 CG1 ILE A 311 16.412 3.867 8.001 1.00 25.00 C ATOM 246 CG2 ILE A 311 16.792 6.347 7.818 1.00 25.00 C ATOM 247 CD1 ILE A 311 14.926 3.850 8.400 1.00 25.00 C ATOM 0 H ILE A 311 18.456 3.183 9.743 1.00 25.00 H new ATOM 0 HA ILE A 311 18.989 4.727 7.368 1.00 25.00 H new ATOM 0 HB ILE A 311 17.003 5.176 9.640 1.00 25.00 H new ATOM 0 HG12 ILE A 311 16.483 3.888 6.914 1.00 25.00 H new ATOM 0 HG13 ILE A 311 16.875 2.938 8.333 1.00 25.00 H new ATOM 0 HG21 ILE A 311 15.720 6.504 7.936 1.00 25.00 H new ATOM 0 HG22 ILE A 311 17.331 7.202 8.225 1.00 25.00 H new ATOM 0 HG23 ILE A 311 17.028 6.240 6.759 1.00 25.00 H new ATOM 0 HD11 ILE A 311 14.439 2.983 7.954 1.00 25.00 H new ATOM 0 HD12 ILE A 311 14.841 3.795 9.485 1.00 25.00 H new ATOM 0 HD13 ILE A 311 14.443 4.760 8.044 1.00 25.00 H new ATOM 259 N LYS A 312 19.871 5.901 10.325 1.00 25.00 N ATOM 260 CA LYS A 312 20.626 6.973 10.996 1.00 25.00 C ATOM 261 C LYS A 312 21.992 7.159 10.363 1.00 25.00 C ATOM 262 O LYS A 312 22.355 8.277 9.980 1.00 25.00 O ATOM 263 CB LYS A 312 20.795 6.672 12.492 1.00 25.00 C ATOM 264 CG LYS A 312 21.436 7.811 13.296 1.00 25.00 C ATOM 265 CD LYS A 312 20.436 8.503 14.226 1.00 25.00 C ATOM 266 CE LYS A 312 19.348 9.223 13.436 1.00 25.00 C ATOM 267 NZ LYS A 312 18.420 10.010 14.301 1.00 25.00 N ATOM 0 H LYS A 312 19.616 5.122 10.931 1.00 25.00 H new ATOM 0 HA LYS A 312 20.054 7.893 10.879 1.00 25.00 H new ATOM 0 HB2 LYS A 312 19.817 6.447 12.918 1.00 25.00 H new ATOM 0 HB3 LYS A 312 21.405 5.776 12.604 1.00 25.00 H new ATOM 0 HG2 LYS A 312 22.263 7.415 13.886 1.00 25.00 H new ATOM 0 HG3 LYS A 312 21.857 8.545 12.609 1.00 25.00 H new ATOM 0 HD2 LYS A 312 19.980 7.765 14.887 1.00 25.00 H new ATOM 0 HD3 LYS A 312 20.961 9.218 14.860 1.00 25.00 H new ATOM 0 HE2 LYS A 312 19.815 9.891 12.712 1.00 25.00 H new ATOM 0 HE3 LYS A 312 18.773 8.490 12.869 1.00 25.00 H new ATOM 0 HZ1 LYS A 312 17.484 10.060 13.850 1.00 25.00 H new ATOM 0 HZ2 LYS A 312 18.333 9.547 15.228 1.00 25.00 H new ATOM 0 HZ3 LYS A 312 18.795 10.972 14.428 1.00 25.00 H new ATOM 281 N GLU A 313 22.733 6.073 10.246 1.00 25.00 N ATOM 282 CA GLU A 313 24.065 6.093 9.647 1.00 25.00 C ATOM 283 C GLU A 313 24.012 6.430 8.154 1.00 25.00 C ATOM 284 O GLU A 313 24.961 6.991 7.607 1.00 25.00 O ATOM 285 CB GLU A 313 24.750 4.743 9.880 1.00 25.00 C ATOM 286 CG GLU A 313 25.865 4.789 10.946 1.00 25.00 C ATOM 287 CD GLU A 313 25.367 5.041 12.386 1.00 25.00 C ATOM 288 OE1 GLU A 313 24.142 5.089 12.639 1.00 25.00 O ATOM 289 OE2 GLU A 313 26.236 5.204 13.271 1.00 25.00 O ATOM 0 H GLU A 313 22.434 5.150 10.562 1.00 25.00 H new ATOM 0 HA GLU A 313 24.647 6.879 10.128 1.00 25.00 H new ATOM 0 HB2 GLU A 313 24.000 4.012 10.183 1.00 25.00 H new ATOM 0 HB3 GLU A 313 25.174 4.393 8.939 1.00 25.00 H new ATOM 0 HG2 GLU A 313 26.410 3.845 10.924 1.00 25.00 H new ATOM 0 HG3 GLU A 313 26.574 5.573 10.678 1.00 25.00 H new ATOM 296 N LEU A 314 22.893 6.129 7.502 1.00 25.00 N ATOM 297 CA LEU A 314 22.694 6.487 6.089 1.00 25.00 C ATOM 298 C LEU A 314 22.388 7.984 5.937 1.00 25.00 C ATOM 299 O LEU A 314 22.126 8.469 4.843 1.00 25.00 O ATOM 300 CB LEU A 314 21.565 5.651 5.463 1.00 25.00 C ATOM 301 CG LEU A 314 21.988 4.267 4.937 1.00 25.00 C ATOM 302 CD1 LEU A 314 20.753 3.454 4.569 1.00 25.00 C ATOM 303 CD2 LEU A 314 22.901 4.387 3.704 1.00 25.00 C ATOM 0 H LEU A 314 22.105 5.637 7.924 1.00 25.00 H new ATOM 0 HA LEU A 314 23.622 6.268 5.561 1.00 25.00 H new ATOM 0 HB2 LEU A 314 20.780 5.515 6.207 1.00 25.00 H new ATOM 0 HB3 LEU A 314 21.129 6.217 4.640 1.00 25.00 H new ATOM 0 HG LEU A 314 22.544 3.766 5.729 1.00 25.00 H new ATOM 0 HD11 LEU A 314 21.059 2.476 4.198 1.00 25.00 H new ATOM 0 HD12 LEU A 314 20.125 3.327 5.451 1.00 25.00 H new ATOM 0 HD13 LEU A 314 20.191 3.977 3.795 1.00 25.00 H new ATOM 0 HD21 LEU A 314 23.180 3.391 3.360 1.00 25.00 H new ATOM 0 HD22 LEU A 314 22.371 4.911 2.908 1.00 25.00 H new ATOM 0 HD23 LEU A 314 23.799 4.944 3.969 1.00 25.00 H new ATOM 315 N GLY A 315 22.472 8.717 7.039 1.00 25.00 N ATOM 316 CA GLY A 315 22.270 10.154 7.015 1.00 25.00 C ATOM 317 C GLY A 315 20.919 10.707 7.393 1.00 25.00 C ATOM 318 O GLY A 315 20.571 11.794 6.949 1.00 25.00 O ATOM 0 H GLY A 315 22.679 8.336 7.962 1.00 25.00 H new ATOM 0 HA2 GLY A 315 23.007 10.601 7.682 1.00 25.00 H new ATOM 0 HA3 GLY A 315 22.498 10.502 6.008 1.00 25.00 H new ATOM 322 N GLU A 316 20.173 10.030 8.253 1.00 25.00 N ATOM 323 CA GLU A 316 18.928 10.606 8.786 1.00 25.00 C ATOM 324 C GLU A 316 19.280 11.917 9.502 1.00 25.00 C ATOM 325 O GLU A 316 18.494 12.855 9.560 1.00 25.00 O ATOM 326 CB GLU A 316 18.283 9.648 9.787 1.00 25.00 C ATOM 327 CG GLU A 316 16.908 10.071 10.276 1.00 25.00 C ATOM 328 CD GLU A 316 16.406 9.189 11.406 1.00 25.00 C ATOM 329 OE1 GLU A 316 16.202 7.979 11.191 1.00 25.00 O ATOM 330 OE2 GLU A 316 16.220 9.703 12.538 1.00 25.00 O ATOM 0 H GLU A 316 20.395 9.096 8.598 1.00 25.00 H new ATOM 0 HA GLU A 316 18.226 10.782 7.971 1.00 25.00 H new ATOM 0 HB2 GLU A 316 18.203 8.663 9.327 1.00 25.00 H new ATOM 0 HB3 GLU A 316 18.944 9.545 10.648 1.00 25.00 H new ATOM 0 HG2 GLU A 316 16.947 11.106 10.615 1.00 25.00 H new ATOM 0 HG3 GLU A 316 16.202 10.034 9.447 1.00 25.00 H new ATOM 337 N LEU A 317 20.495 11.973 10.036 1.00 25.00 N ATOM 338 CA LEU A 317 21.002 13.162 10.727 1.00 25.00 C ATOM 339 C LEU A 317 21.210 14.330 9.757 1.00 25.00 C ATOM 340 O LEU A 317 21.226 15.486 10.161 1.00 25.00 O ATOM 341 CB LEU A 317 22.336 12.827 11.403 1.00 25.00 C ATOM 342 CG LEU A 317 22.296 11.759 12.485 1.00 25.00 C ATOM 343 CD1 LEU A 317 23.713 11.310 12.684 1.00 25.00 C ATOM 344 CD2 LEU A 317 21.715 12.342 13.761 1.00 25.00 C ATOM 0 H LEU A 317 21.158 11.199 10.004 1.00 25.00 H new ATOM 0 HA LEU A 317 20.263 13.462 11.470 1.00 25.00 H new ATOM 0 HB2 LEU A 317 23.038 12.507 10.633 1.00 25.00 H new ATOM 0 HB3 LEU A 317 22.737 13.742 11.840 1.00 25.00 H new ATOM 0 HG LEU A 317 21.665 10.916 12.205 1.00 25.00 H new ATOM 0 HD11 LEU A 317 23.746 10.539 13.454 1.00 25.00 H new ATOM 0 HD12 LEU A 317 24.101 10.906 11.749 1.00 25.00 H new ATOM 0 HD13 LEU A 317 24.323 12.158 12.994 1.00 25.00 H new ATOM 0 HD21 LEU A 317 21.688 11.573 14.533 1.00 25.00 H new ATOM 0 HD22 LEU A 317 22.336 13.173 14.097 1.00 25.00 H new ATOM 0 HD23 LEU A 317 20.703 12.699 13.570 1.00 25.00 H new ATOM 356 N ARG A 318 21.354 14.012 8.477 1.00 25.00 N ATOM 357 CA ARG A 318 21.534 15.010 7.416 1.00 25.00 C ATOM 358 C ARG A 318 20.186 15.275 6.748 1.00 25.00 C ATOM 359 O ARG A 318 20.104 16.019 5.778 1.00 25.00 O ATOM 360 CB ARG A 318 22.519 14.494 6.355 1.00 25.00 C ATOM 361 CG ARG A 318 23.860 13.993 6.909 1.00 25.00 C ATOM 362 CD ARG A 318 24.883 13.754 5.784 1.00 25.00 C ATOM 363 NE ARG A 318 24.383 12.824 4.754 1.00 25.00 N ATOM 364 CZ ARG A 318 24.557 11.507 4.732 1.00 25.00 C ATOM 365 NH1 ARG A 318 25.246 10.868 5.647 1.00 25.00 N ATOM 366 NH2 ARG A 318 24.017 10.819 3.770 1.00 25.00 N ATOM 0 H ARG A 318 21.350 13.050 8.138 1.00 25.00 H new ATOM 0 HA ARG A 318 21.930 15.925 7.856 1.00 25.00 H new ATOM 0 HB2 ARG A 318 22.044 13.683 5.803 1.00 25.00 H new ATOM 0 HB3 ARG A 318 22.713 15.294 5.641 1.00 25.00 H new ATOM 0 HG2 ARG A 318 24.258 14.722 7.615 1.00 25.00 H new ATOM 0 HG3 ARG A 318 23.703 13.067 7.462 1.00 25.00 H new ATOM 0 HD2 ARG A 318 25.134 14.707 5.318 1.00 25.00 H new ATOM 0 HD3 ARG A 318 25.803 13.356 6.212 1.00 25.00 H new ATOM 0 HE ARG A 318 23.852 13.231 3.984 1.00 25.00 H new ATOM 0 HH11 ARG A 318 25.674 11.384 6.416 1.00 25.00 H new ATOM 0 HH12 ARG A 318 25.353 9.855 5.590 1.00 25.00 H new ATOM 0 HH21 ARG A 318 23.471 11.291 3.049 1.00 25.00 H new ATOM 0 HH22 ARG A 318 24.139 9.807 3.736 1.00 25.00 H new ATOM 380 N LYS A 319 19.147 14.635 7.291 1.00 25.00 N ATOM 381 CA LYS A 319 17.763 14.679 6.781 1.00 25.00 C ATOM 382 C LYS A 319 17.634 13.918 5.458 1.00 25.00 C ATOM 383 O LYS A 319 16.716 14.158 4.675 1.00 25.00 O ATOM 384 CB LYS A 319 17.262 16.120 6.642 1.00 25.00 C ATOM 385 CG LYS A 319 15.758 16.271 6.849 1.00 25.00 C ATOM 386 CD LYS A 319 15.199 17.418 6.009 1.00 25.00 C ATOM 387 CE LYS A 319 15.799 18.767 6.411 1.00 25.00 C ATOM 388 NZ LYS A 319 15.224 19.875 5.581 1.00 25.00 N ATOM 0 H LYS A 319 19.243 14.053 8.123 1.00 25.00 H new ATOM 0 HA LYS A 319 17.129 14.181 7.514 1.00 25.00 H new ATOM 0 HB2 LYS A 319 17.784 16.748 7.365 1.00 25.00 H new ATOM 0 HB3 LYS A 319 17.522 16.491 5.651 1.00 25.00 H new ATOM 0 HG2 LYS A 319 15.256 15.342 6.581 1.00 25.00 H new ATOM 0 HG3 LYS A 319 15.549 16.453 7.903 1.00 25.00 H new ATOM 0 HD2 LYS A 319 15.404 17.229 4.955 1.00 25.00 H new ATOM 0 HD3 LYS A 319 14.115 17.455 6.121 1.00 25.00 H new ATOM 0 HE2 LYS A 319 15.602 18.957 7.466 1.00 25.00 H new ATOM 0 HE3 LYS A 319 16.882 18.739 6.289 1.00 25.00 H new ATOM 0 HZ1 LYS A 319 15.645 20.781 5.871 1.00 25.00 H new ATOM 0 HZ2 LYS A 319 15.433 19.701 4.577 1.00 25.00 H new ATOM 0 HZ3 LYS A 319 14.194 19.913 5.718 1.00 25.00 H new ATOM 402 N GLU A 320 18.555 12.997 5.225 1.00 25.00 N ATOM 403 CA GLU A 320 18.545 12.168 4.023 1.00 25.00 C ATOM 404 C GLU A 320 17.989 10.788 4.407 1.00 25.00 C ATOM 405 O GLU A 320 18.571 10.089 5.238 1.00 25.00 O ATOM 406 CB GLU A 320 19.966 12.045 3.467 1.00 25.00 C ATOM 407 CG GLU A 320 20.496 13.362 2.897 1.00 25.00 C ATOM 408 CD GLU A 320 21.981 13.305 2.589 1.00 25.00 C ATOM 409 OE1 GLU A 320 22.441 12.328 1.970 1.00 25.00 O ATOM 410 OE2 GLU A 320 22.707 14.242 2.988 1.00 25.00 O ATOM 0 H GLU A 320 19.329 12.801 5.859 1.00 25.00 H new ATOM 0 HA GLU A 320 17.921 12.615 3.250 1.00 25.00 H new ATOM 0 HB2 GLU A 320 20.633 11.703 4.259 1.00 25.00 H new ATOM 0 HB3 GLU A 320 19.981 11.284 2.686 1.00 25.00 H new ATOM 0 HG2 GLU A 320 19.948 13.607 1.987 1.00 25.00 H new ATOM 0 HG3 GLU A 320 20.306 14.165 3.609 1.00 25.00 H new ATOM 417 N PRO A 321 16.838 10.389 3.834 1.00 25.00 N ATOM 418 CA PRO A 321 16.306 9.072 4.198 1.00 25.00 C ATOM 419 C PRO A 321 16.932 7.929 3.405 1.00 25.00 C ATOM 420 O PRO A 321 17.593 8.147 2.395 1.00 25.00 O ATOM 421 CB PRO A 321 14.828 9.207 3.830 1.00 25.00 C ATOM 422 CG PRO A 321 14.853 10.060 2.615 1.00 25.00 C ATOM 423 CD PRO A 321 15.956 11.072 2.864 1.00 25.00 C ATOM 0 HA PRO A 321 16.506 8.827 5.241 1.00 25.00 H new ATOM 0 HB2 PRO A 321 14.373 8.237 3.631 1.00 25.00 H new ATOM 0 HB3 PRO A 321 14.254 9.669 4.634 1.00 25.00 H new ATOM 0 HG2 PRO A 321 15.055 9.468 1.722 1.00 25.00 H new ATOM 0 HG3 PRO A 321 13.893 10.553 2.460 1.00 25.00 H new ATOM 0 HD2 PRO A 321 16.487 11.321 1.945 1.00 25.00 H new ATOM 0 HD3 PRO A 321 15.562 12.005 3.267 1.00 25.00 H new ATOM 431 N SER A 322 16.693 6.705 3.855 1.00 25.00 N ATOM 432 CA SER A 322 17.113 5.526 3.107 1.00 25.00 C ATOM 433 C SER A 322 16.082 5.372 1.992 1.00 25.00 C ATOM 434 O SER A 322 14.893 5.632 2.223 1.00 25.00 O ATOM 435 CB SER A 322 17.119 4.286 4.002 1.00 25.00 C ATOM 436 OG SER A 322 17.558 3.148 3.285 1.00 25.00 O ATOM 0 H SER A 322 16.212 6.502 4.731 1.00 25.00 H new ATOM 0 HA SER A 322 18.126 5.635 2.719 1.00 25.00 H new ATOM 0 HB2 SER A 322 17.771 4.454 4.859 1.00 25.00 H new ATOM 0 HB3 SER A 322 16.117 4.110 4.393 1.00 25.00 H new ATOM 0 HG SER A 322 17.556 2.367 3.877 1.00 25.00 H new ATOM 442 N LEU A 323 16.522 4.973 0.806 1.00 25.00 N ATOM 443 CA LEU A 323 15.646 4.837 -0.359 1.00 25.00 C ATOM 444 C LEU A 323 15.987 3.540 -1.074 1.00 25.00 C ATOM 445 O LEU A 323 17.175 3.158 -1.013 1.00 25.00 O ATOM 446 CB LEU A 323 15.854 6.022 -1.316 1.00 25.00 C ATOM 447 CG LEU A 323 15.513 7.414 -0.806 1.00 25.00 C ATOM 448 CD1 LEU A 323 16.086 8.362 -1.820 1.00 25.00 C ATOM 449 CD2 LEU A 323 14.013 7.575 -0.690 1.00 25.00 C ATOM 450 OXT LEU A 323 15.085 2.934 -1.686 1.00 25.00 O ATOM 0 H LEU A 323 17.496 4.733 0.620 1.00 25.00 H new ATOM 0 HA LEU A 323 14.605 4.826 -0.036 1.00 25.00 H new ATOM 0 HB2 LEU A 323 16.900 6.025 -1.623 1.00 25.00 H new ATOM 0 HB3 LEU A 323 15.259 5.838 -2.211 1.00 25.00 H new ATOM 0 HG LEU A 323 15.923 7.603 0.186 1.00 25.00 H new ATOM 0 HD11 LEU A 323 15.878 9.388 -1.517 1.00 25.00 H new ATOM 0 HD12 LEU A 323 17.164 8.215 -1.887 1.00 25.00 H new ATOM 0 HD13 LEU A 323 15.633 8.172 -2.793 1.00 25.00 H new ATOM 0 HD21 LEU A 323 13.782 8.575 -0.324 1.00 25.00 H new ATOM 0 HD22 LEU A 323 13.555 7.432 -1.669 1.00 25.00 H new ATOM 0 HD23 LEU A 323 13.620 6.834 0.006 1.00 25.00 H new TER 462 LEU A 323