USER MOD reduce.3.24.130724 H: found=0, std=0, add=237, rem=0, adj=6 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 Single : A 298 THR OG1 : rot -39:sc= 0.16 USER MOD Single : A 299 ASN : amide:sc= -0.0583 K(o=-0.058,f=-1.5) 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+ 174:sc= 0.908 (180deg=0.782) USER MOD Single : A 308 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 312 LYS NZ :NH3+ -158:sc= 0.96 (180deg=0.287) USER MOD Single : A 319 LYS NZ :NH3+ 142:sc= 1.55 (180deg=0.681) USER MOD Single : A 322 SER OG : rot 130:sc=-0.00852 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 298 18.040 -20.329 15.284 1.00 25.00 N ATOM 2 CA THR A 298 18.787 -19.149 14.769 1.00 25.00 C ATOM 3 C THR A 298 17.874 -18.197 13.974 1.00 25.00 C ATOM 4 O THR A 298 18.303 -17.128 13.571 1.00 25.00 O ATOM 5 CB THR A 298 19.975 -19.617 13.870 1.00 25.00 C ATOM 6 OG1 THR A 298 20.901 -18.544 13.703 1.00 25.00 O ATOM 7 CG2 THR A 298 19.517 -20.090 12.485 1.00 25.00 C ATOM 0 HA THR A 298 19.172 -18.602 15.629 1.00 25.00 H new ATOM 0 HB THR A 298 20.442 -20.462 14.376 1.00 25.00 H new ATOM 0 HG1 THR A 298 20.411 -17.702 13.599 1.00 25.00 H new ATOM 0 HG21 THR A 298 20.383 -20.404 11.903 1.00 25.00 H new ATOM 0 HG22 THR A 298 18.831 -20.930 12.596 1.00 25.00 H new ATOM 0 HG23 THR A 298 19.011 -19.273 11.971 1.00 25.00 H new ATOM 17 N ASN A 299 16.613 -18.563 13.750 1.00 25.00 N ATOM 18 CA ASN A 299 15.714 -17.731 12.951 1.00 25.00 C ATOM 19 C ASN A 299 15.068 -16.631 13.789 1.00 25.00 C ATOM 20 O ASN A 299 13.932 -16.744 14.243 1.00 25.00 O ATOM 21 CB ASN A 299 14.627 -18.582 12.282 1.00 25.00 C ATOM 22 CG ASN A 299 13.796 -17.781 11.305 1.00 25.00 C ATOM 23 OD1 ASN A 299 14.146 -16.668 10.954 1.00 25.00 O ATOM 24 ND2 ASN A 299 12.705 -18.341 10.859 1.00 25.00 N ATOM 0 H ASN A 299 16.193 -19.422 14.106 1.00 25.00 H new ATOM 0 HA ASN A 299 16.320 -17.259 12.178 1.00 25.00 H new ATOM 0 HB2 ASN A 299 15.092 -19.418 11.760 1.00 25.00 H new ATOM 0 HB3 ASN A 299 13.977 -19.006 13.048 1.00 25.00 H new ATOM 0 HD21 ASN A 299 12.113 -17.845 10.193 1.00 25.00 H new ATOM 0 HD22 ASN A 299 12.445 -19.275 11.176 1.00 25.00 H new ATOM 31 N ARG A 300 15.825 -15.567 13.990 1.00 25.00 N ATOM 32 CA ARG A 300 15.329 -14.365 14.665 1.00 25.00 C ATOM 33 C ARG A 300 15.950 -13.154 13.968 1.00 25.00 C ATOM 34 O ARG A 300 17.162 -12.999 13.972 1.00 25.00 O ATOM 35 CB ARG A 300 15.690 -14.393 16.160 1.00 25.00 C ATOM 36 CG ARG A 300 14.877 -13.409 17.012 1.00 25.00 C ATOM 37 CD ARG A 300 13.469 -13.950 17.325 1.00 25.00 C ATOM 38 NE ARG A 300 13.491 -14.984 18.380 1.00 25.00 N ATOM 39 CZ ARG A 300 12.437 -15.689 18.786 1.00 25.00 C ATOM 40 NH1 ARG A 300 11.246 -15.541 18.259 1.00 25.00 N ATOM 41 NH2 ARG A 300 12.586 -16.559 19.747 1.00 25.00 N ATOM 0 H ARG A 300 16.799 -15.505 13.694 1.00 25.00 H new ATOM 0 HA ARG A 300 14.242 -14.313 14.604 1.00 25.00 H new ATOM 0 HB2 ARG A 300 15.537 -15.402 16.542 1.00 25.00 H new ATOM 0 HB3 ARG A 300 16.750 -14.167 16.273 1.00 25.00 H new ATOM 0 HG2 ARG A 300 15.406 -13.212 17.944 1.00 25.00 H new ATOM 0 HG3 ARG A 300 14.792 -12.458 16.487 1.00 25.00 H new ATOM 0 HD2 ARG A 300 12.827 -13.127 17.638 1.00 25.00 H new ATOM 0 HD3 ARG A 300 13.032 -14.368 16.418 1.00 25.00 H new ATOM 0 HE ARG A 300 14.385 -15.173 18.834 1.00 25.00 H new ATOM 0 HH11 ARG A 300 11.101 -14.866 17.509 1.00 25.00 H new ATOM 0 HH12 ARG A 300 10.465 -16.101 18.599 1.00 25.00 H new ATOM 0 HH21 ARG A 300 13.501 -16.692 20.177 1.00 25.00 H new ATOM 0 HH22 ARG A 300 11.787 -17.106 20.068 1.00 25.00 H new ATOM 55 N ARG A 301 15.115 -12.318 13.363 1.00 25.00 N ATOM 56 CA ARG A 301 15.582 -11.149 12.594 1.00 25.00 C ATOM 57 C ARG A 301 16.365 -10.113 13.396 1.00 25.00 C ATOM 58 O ARG A 301 17.319 -9.545 12.886 1.00 25.00 O ATOM 59 CB ARG A 301 14.374 -10.455 11.953 1.00 25.00 C ATOM 60 CG ARG A 301 14.125 -10.844 10.497 1.00 25.00 C ATOM 61 CD ARG A 301 14.982 -10.002 9.544 1.00 25.00 C ATOM 62 NE ARG A 301 14.682 -10.289 8.130 1.00 25.00 N ATOM 63 CZ ARG A 301 13.672 -9.767 7.436 1.00 25.00 C ATOM 64 NH1 ARG A 301 12.807 -8.936 7.951 1.00 25.00 N ATOM 65 NH2 ARG A 301 13.530 -10.102 6.183 1.00 25.00 N ATOM 0 H ARG A 301 14.101 -12.421 13.385 1.00 25.00 H new ATOM 0 HA ARG A 301 16.277 -11.547 11.855 1.00 25.00 H new ATOM 0 HB2 ARG A 301 13.484 -10.689 12.537 1.00 25.00 H new ATOM 0 HB3 ARG A 301 14.518 -9.376 12.009 1.00 25.00 H new ATOM 0 HG2 ARG A 301 14.351 -11.901 10.356 1.00 25.00 H new ATOM 0 HG3 ARG A 301 13.070 -10.709 10.257 1.00 25.00 H new ATOM 0 HD2 ARG A 301 14.812 -8.944 9.743 1.00 25.00 H new ATOM 0 HD3 ARG A 301 16.037 -10.197 9.737 1.00 25.00 H new ATOM 0 HE ARG A 301 15.298 -10.940 7.643 1.00 25.00 H new ATOM 0 HH11 ARG A 301 12.887 -8.658 8.929 1.00 25.00 H new ATOM 0 HH12 ARG A 301 12.051 -8.565 7.375 1.00 25.00 H new ATOM 0 HH21 ARG A 301 14.186 -10.753 5.752 1.00 25.00 H new ATOM 0 HH22 ARG A 301 12.763 -9.713 5.635 1.00 25.00 H new ATOM 79 N LYS A 302 15.941 -9.872 14.638 1.00 25.00 N ATOM 80 CA LYS A 302 16.569 -8.887 15.557 1.00 25.00 C ATOM 81 C LYS A 302 16.490 -7.448 15.022 1.00 25.00 C ATOM 82 O LYS A 302 17.259 -6.581 15.458 1.00 25.00 O ATOM 83 CB LYS A 302 18.049 -9.219 15.833 1.00 25.00 C ATOM 84 CG LYS A 302 18.338 -10.640 16.332 1.00 25.00 C ATOM 85 CD LYS A 302 19.621 -11.188 15.687 1.00 25.00 C ATOM 86 CE LYS A 302 20.871 -10.390 16.099 1.00 25.00 C ATOM 87 NZ LYS A 302 22.091 -10.854 15.351 1.00 25.00 N ATOM 0 H LYS A 302 15.143 -10.355 15.051 1.00 25.00 H new ATOM 0 HA LYS A 302 15.998 -8.955 16.483 1.00 25.00 H new ATOM 0 HB2 LYS A 302 18.615 -9.055 14.916 1.00 25.00 H new ATOM 0 HB3 LYS A 302 18.428 -8.512 16.571 1.00 25.00 H new ATOM 0 HG2 LYS A 302 18.443 -10.636 17.417 1.00 25.00 H new ATOM 0 HG3 LYS A 302 17.498 -11.293 16.095 1.00 25.00 H new ATOM 0 HD2 LYS A 302 19.750 -12.232 15.971 1.00 25.00 H new ATOM 0 HD3 LYS A 302 19.518 -11.163 14.602 1.00 25.00 H new ATOM 0 HE2 LYS A 302 20.707 -9.330 15.908 1.00 25.00 H new ATOM 0 HE3 LYS A 302 21.037 -10.499 17.171 1.00 25.00 H new ATOM 0 HZ1 LYS A 302 22.916 -10.296 15.652 1.00 25.00 H new ATOM 0 HZ2 LYS A 302 22.261 -11.860 15.554 1.00 25.00 H new ATOM 0 HZ3 LYS A 302 21.941 -10.727 14.330 1.00 25.00 H new HETATM 101 N SEP A 303 15.580 -7.215 14.080 1.00 25.00 N HETATM 102 CA SEP A 303 15.501 -5.954 13.300 1.00 25.00 C HETATM 103 CB SEP A 303 15.154 -6.295 11.826 1.00 25.00 C HETATM 104 OG SEP A 303 13.837 -5.912 11.511 1.00 25.00 O HETATM 105 C SEP A 303 14.501 -4.964 13.956 1.00 25.00 C HETATM 106 O SEP A 303 14.194 -5.113 15.152 1.00 25.00 O HETATM 107 P SEP A 303 13.096 -6.502 10.221 1.00 25.00 P HETATM 108 O1P SEP A 303 12.706 -7.866 10.621 1.00 25.00 O HETATM 109 O2P SEP A 303 11.978 -5.578 10.002 1.00 25.00 O HETATM 110 O3P SEP A 303 14.119 -6.460 9.157 1.00 25.00 O HETATM 0 HB3 SEP A 303 15.852 -5.789 11.159 1.00 25.00 H new HETATM 0 HB2 SEP A 303 15.274 -7.366 11.660 1.00 25.00 H new HETATM 0 HA SEP A 303 16.464 -5.444 13.302 1.00 25.00 H new HETATM 0 H SEP A 303 15.415 -8.110 13.620 1.00 25.00 H new ATOM 115 N GLY A 304 14.346 -3.796 13.325 1.00 25.00 N ATOM 116 CA GLY A 304 13.636 -2.659 13.903 1.00 25.00 C ATOM 117 C GLY A 304 14.544 -1.838 14.789 1.00 25.00 C ATOM 118 O GLY A 304 14.816 -0.668 14.510 1.00 25.00 O ATOM 0 H GLY A 304 14.714 -3.615 12.391 1.00 25.00 H new ATOM 0 HA2 GLY A 304 13.239 -2.032 13.105 1.00 25.00 H new ATOM 0 HA3 GLY A 304 12.784 -3.016 14.482 1.00 25.00 H new ATOM 122 N LYS A 305 15.038 -2.464 15.852 1.00 25.00 N ATOM 123 CA LYS A 305 15.954 -1.818 16.800 1.00 25.00 C ATOM 124 C LYS A 305 17.175 -1.305 16.056 1.00 25.00 C ATOM 125 O LYS A 305 17.535 -0.139 16.170 1.00 25.00 O ATOM 126 CB LYS A 305 16.366 -2.831 17.890 1.00 25.00 C ATOM 127 CG LYS A 305 17.651 -2.495 18.686 1.00 25.00 C ATOM 128 CD LYS A 305 17.535 -1.238 19.542 1.00 25.00 C ATOM 129 CE LYS A 305 18.871 -0.966 20.235 1.00 25.00 C ATOM 130 NZ LYS A 305 18.820 0.251 21.117 1.00 25.00 N ATOM 0 H LYS A 305 14.818 -3.432 16.085 1.00 25.00 H new ATOM 0 HA LYS A 305 15.457 -0.974 17.278 1.00 25.00 H new ATOM 0 HB2 LYS A 305 15.541 -2.929 18.596 1.00 25.00 H new ATOM 0 HB3 LYS A 305 16.500 -3.805 17.419 1.00 25.00 H new ATOM 0 HG2 LYS A 305 17.900 -3.339 19.329 1.00 25.00 H new ATOM 0 HG3 LYS A 305 18.478 -2.372 17.987 1.00 25.00 H new ATOM 0 HD2 LYS A 305 17.256 -0.387 18.921 1.00 25.00 H new ATOM 0 HD3 LYS A 305 16.747 -1.363 20.285 1.00 25.00 H new ATOM 0 HE2 LYS A 305 19.151 -1.833 20.833 1.00 25.00 H new ATOM 0 HE3 LYS A 305 19.648 -0.834 19.482 1.00 25.00 H new ATOM 0 HZ1 LYS A 305 19.748 0.394 21.565 1.00 25.00 H new ATOM 0 HZ2 LYS A 305 18.579 1.085 20.544 1.00 25.00 H new ATOM 0 HZ3 LYS A 305 18.098 0.116 21.853 1.00 25.00 H new ATOM 144 N TYR A 306 17.806 -2.187 15.299 1.00 25.00 N ATOM 145 CA TYR A 306 18.986 -1.817 14.531 1.00 25.00 C ATOM 146 C TYR A 306 18.622 -1.295 13.149 1.00 25.00 C ATOM 147 O TYR A 306 19.361 -0.533 12.569 1.00 25.00 O ATOM 148 CB TYR A 306 19.926 -3.014 14.431 1.00 25.00 C ATOM 149 CG TYR A 306 20.419 -3.443 15.797 1.00 25.00 C ATOM 150 CD1 TYR A 306 21.390 -2.685 16.483 1.00 25.00 C ATOM 151 CD2 TYR A 306 19.908 -4.601 16.421 1.00 25.00 C ATOM 152 CE1 TYR A 306 21.833 -3.068 17.778 1.00 25.00 C ATOM 153 CE2 TYR A 306 20.350 -4.986 17.717 1.00 25.00 C ATOM 154 CZ TYR A 306 21.303 -4.211 18.382 1.00 25.00 C ATOM 155 OH TYR A 306 21.726 -4.566 19.637 1.00 25.00 O ATOM 0 H TYR A 306 17.523 -3.162 15.199 1.00 25.00 H new ATOM 0 HA TYR A 306 19.492 -1.004 15.052 1.00 25.00 H new ATOM 0 HB2 TYR A 306 19.410 -3.845 13.951 1.00 25.00 H new ATOM 0 HB3 TYR A 306 20.777 -2.759 13.799 1.00 25.00 H new ATOM 0 HD1 TYR A 306 21.803 -1.802 16.018 1.00 25.00 H new ATOM 0 HD2 TYR A 306 19.172 -5.202 15.908 1.00 25.00 H new ATOM 0 HE1 TYR A 306 22.576 -2.478 18.293 1.00 25.00 H new ATOM 0 HE2 TYR A 306 19.950 -5.874 18.185 1.00 25.00 H new ATOM 0 HH TYR A 306 21.264 -5.383 19.919 1.00 25.00 H new ATOM 165 N LYS A 307 17.468 -1.696 12.634 1.00 25.00 N ATOM 166 CA LYS A 307 17.051 -1.294 11.285 1.00 25.00 C ATOM 167 C LYS A 307 16.925 0.221 11.139 1.00 25.00 C ATOM 168 O LYS A 307 17.312 0.801 10.145 1.00 25.00 O ATOM 169 CB LYS A 307 15.739 -1.983 10.932 1.00 25.00 C ATOM 170 CG LYS A 307 15.397 -1.985 9.459 1.00 25.00 C ATOM 171 CD LYS A 307 14.263 -2.959 9.225 1.00 25.00 C ATOM 172 CE LYS A 307 13.992 -3.177 7.755 1.00 25.00 C ATOM 173 NZ LYS A 307 13.039 -4.324 7.611 1.00 25.00 N ATOM 0 H LYS A 307 16.803 -2.296 13.121 1.00 25.00 H new ATOM 0 HA LYS A 307 17.828 -1.607 10.588 1.00 25.00 H new ATOM 0 HB2 LYS A 307 15.782 -3.015 11.282 1.00 25.00 H new ATOM 0 HB3 LYS A 307 14.931 -1.495 11.477 1.00 25.00 H new ATOM 0 HG2 LYS A 307 15.108 -0.985 9.137 1.00 25.00 H new ATOM 0 HG3 LYS A 307 16.268 -2.271 8.869 1.00 25.00 H new ATOM 0 HD2 LYS A 307 14.503 -3.913 9.694 1.00 25.00 H new ATOM 0 HD3 LYS A 307 13.360 -2.585 9.708 1.00 25.00 H new ATOM 0 HE2 LYS A 307 13.570 -2.276 7.310 1.00 25.00 H new ATOM 0 HE3 LYS A 307 14.921 -3.388 7.226 1.00 25.00 H new ATOM 0 HZ1 LYS A 307 12.763 -4.423 6.613 1.00 25.00 H new ATOM 0 HZ2 LYS A 307 13.499 -5.200 7.931 1.00 25.00 H new ATOM 0 HZ3 LYS A 307 12.193 -4.147 8.189 1.00 25.00 H new ATOM 187 N LYS A 308 16.391 0.879 12.157 1.00 25.00 N ATOM 188 CA LYS A 308 16.271 2.337 12.109 1.00 25.00 C ATOM 189 C LYS A 308 17.634 3.017 12.264 1.00 25.00 C ATOM 190 O LYS A 308 17.803 4.165 11.877 1.00 25.00 O ATOM 191 CB LYS A 308 15.247 2.852 13.119 1.00 25.00 C ATOM 192 CG LYS A 308 15.643 2.741 14.591 1.00 25.00 C ATOM 193 CD LYS A 308 14.426 2.975 15.500 1.00 25.00 C ATOM 194 CE LYS A 308 13.834 4.390 15.334 1.00 25.00 C ATOM 195 NZ LYS A 308 12.627 4.603 16.207 1.00 25.00 N ATOM 0 H LYS A 308 16.040 0.444 13.010 1.00 25.00 H new ATOM 0 HA LYS A 308 15.896 2.604 11.121 1.00 25.00 H new ATOM 0 HB2 LYS A 308 15.042 3.899 12.897 1.00 25.00 H new ATOM 0 HB3 LYS A 308 14.315 2.306 12.972 1.00 25.00 H new ATOM 0 HG2 LYS A 308 16.065 1.755 14.786 1.00 25.00 H new ATOM 0 HG3 LYS A 308 16.420 3.471 14.820 1.00 25.00 H new ATOM 0 HD2 LYS A 308 13.659 2.234 15.274 1.00 25.00 H new ATOM 0 HD3 LYS A 308 14.718 2.825 16.540 1.00 25.00 H new ATOM 0 HE2 LYS A 308 14.594 5.132 15.579 1.00 25.00 H new ATOM 0 HE3 LYS A 308 13.559 4.548 14.291 1.00 25.00 H new ATOM 0 HZ1 LYS A 308 12.261 5.566 16.064 1.00 25.00 H new ATOM 0 HZ2 LYS A 308 11.891 3.912 15.956 1.00 25.00 H new ATOM 0 HZ3 LYS A 308 12.894 4.478 17.204 1.00 25.00 H new ATOM 209 N VAL A 309 18.599 2.313 12.841 1.00 25.00 N ATOM 210 CA VAL A 309 19.940 2.869 13.018 1.00 25.00 C ATOM 211 C VAL A 309 20.658 2.914 11.665 1.00 25.00 C ATOM 212 O VAL A 309 21.530 3.738 11.463 1.00 25.00 O ATOM 213 CB VAL A 309 20.751 2.073 14.111 1.00 25.00 C ATOM 214 CG1 VAL A 309 21.956 1.304 13.528 1.00 25.00 C ATOM 215 CG2 VAL A 309 21.231 3.036 15.203 1.00 25.00 C ATOM 0 H VAL A 309 18.483 1.363 13.193 1.00 25.00 H new ATOM 0 HA VAL A 309 19.861 3.891 13.389 1.00 25.00 H new ATOM 0 HB VAL A 309 20.073 1.330 14.531 1.00 25.00 H new ATOM 0 HG11 VAL A 309 22.473 0.777 14.329 1.00 25.00 H new ATOM 0 HG12 VAL A 309 21.605 0.585 12.788 1.00 25.00 H new ATOM 0 HG13 VAL A 309 22.642 2.007 13.054 1.00 25.00 H new ATOM 0 HG21 VAL A 309 21.791 2.482 15.956 1.00 25.00 H new ATOM 0 HG22 VAL A 309 21.873 3.797 14.760 1.00 25.00 H new ATOM 0 HG23 VAL A 309 20.370 3.515 15.670 1.00 25.00 H new ATOM 225 N GLU A 310 20.262 2.061 10.727 1.00 25.00 N ATOM 226 CA GLU A 310 20.859 2.067 9.387 1.00 25.00 C ATOM 227 C GLU A 310 20.536 3.401 8.704 1.00 25.00 C ATOM 228 O GLU A 310 21.363 3.985 8.019 1.00 25.00 O ATOM 229 CB GLU A 310 20.313 0.890 8.565 1.00 25.00 C ATOM 230 CG GLU A 310 20.610 -0.478 9.201 1.00 25.00 C ATOM 231 CD GLU A 310 19.901 -1.639 8.506 1.00 25.00 C ATOM 232 OE1 GLU A 310 18.667 -1.565 8.313 1.00 25.00 O ATOM 233 OE2 GLU A 310 20.575 -2.637 8.174 1.00 25.00 O ATOM 0 H GLU A 310 19.535 1.359 10.863 1.00 25.00 H new ATOM 0 HA GLU A 310 21.941 1.956 9.462 1.00 25.00 H new ATOM 0 HB2 GLU A 310 19.235 1.004 8.449 1.00 25.00 H new ATOM 0 HB3 GLU A 310 20.746 0.921 7.565 1.00 25.00 H new ATOM 0 HG2 GLU A 310 21.685 -0.654 9.180 1.00 25.00 H new ATOM 0 HG3 GLU A 310 20.311 -0.455 10.249 1.00 25.00 H new ATOM 240 N ILE A 311 19.324 3.894 8.928 1.00 25.00 N ATOM 241 CA ILE A 311 18.897 5.191 8.386 1.00 25.00 C ATOM 242 C ILE A 311 19.693 6.307 9.087 1.00 25.00 C ATOM 243 O ILE A 311 19.979 7.357 8.512 1.00 25.00 O ATOM 244 CB ILE A 311 17.352 5.392 8.579 1.00 25.00 C ATOM 245 CG1 ILE A 311 16.578 4.295 7.815 1.00 25.00 C ATOM 246 CG2 ILE A 311 16.896 6.781 8.068 1.00 25.00 C ATOM 247 CD1 ILE A 311 15.111 4.135 8.249 1.00 25.00 C ATOM 0 H ILE A 311 18.613 3.418 9.483 1.00 25.00 H new ATOM 0 HA ILE A 311 19.097 5.225 7.315 1.00 25.00 H new ATOM 0 HB ILE A 311 17.140 5.326 9.646 1.00 25.00 H new ATOM 0 HG12 ILE A 311 16.606 4.522 6.749 1.00 25.00 H new ATOM 0 HG13 ILE A 311 17.091 3.343 7.952 1.00 25.00 H new ATOM 0 HG21 ILE A 311 15.821 6.888 8.216 1.00 25.00 H new ATOM 0 HG22 ILE A 311 17.418 7.562 8.621 1.00 25.00 H new ATOM 0 HG23 ILE A 311 17.127 6.872 7.007 1.00 25.00 H new ATOM 0 HD11 ILE A 311 14.642 3.345 7.663 1.00 25.00 H new ATOM 0 HD12 ILE A 311 15.071 3.875 9.307 1.00 25.00 H new ATOM 0 HD13 ILE A 311 14.579 5.072 8.086 1.00 25.00 H new ATOM 259 N LYS A 312 20.078 6.078 10.335 1.00 25.00 N ATOM 260 CA LYS A 312 20.883 7.064 11.059 1.00 25.00 C ATOM 261 C LYS A 312 22.290 7.115 10.483 1.00 25.00 C ATOM 262 O LYS A 312 22.868 8.194 10.373 1.00 25.00 O ATOM 263 CB LYS A 312 20.909 6.771 12.562 1.00 25.00 C ATOM 264 CG LYS A 312 21.598 7.867 13.375 1.00 25.00 C ATOM 265 CD LYS A 312 21.566 7.579 14.874 1.00 25.00 C ATOM 266 CE LYS A 312 20.194 7.874 15.494 1.00 25.00 C ATOM 267 NZ LYS A 312 19.872 9.346 15.476 1.00 25.00 N ATOM 0 H LYS A 312 19.853 5.235 10.864 1.00 25.00 H new ATOM 0 HA LYS A 312 20.421 8.043 10.931 1.00 25.00 H new ATOM 0 HB2 LYS A 312 19.887 6.650 12.920 1.00 25.00 H new ATOM 0 HB3 LYS A 312 21.421 5.824 12.733 1.00 25.00 H new ATOM 0 HG2 LYS A 312 22.633 7.964 13.047 1.00 25.00 H new ATOM 0 HG3 LYS A 312 21.111 8.822 13.180 1.00 25.00 H new ATOM 0 HD2 LYS A 312 21.823 6.534 15.047 1.00 25.00 H new ATOM 0 HD3 LYS A 312 22.325 8.181 15.374 1.00 25.00 H new ATOM 0 HE2 LYS A 312 19.424 7.328 14.949 1.00 25.00 H new ATOM 0 HE3 LYS A 312 20.175 7.511 16.522 1.00 25.00 H new ATOM 0 HZ1 LYS A 312 19.157 9.554 16.202 1.00 25.00 H new ATOM 0 HZ2 LYS A 312 20.735 9.892 15.673 1.00 25.00 H new ATOM 0 HZ3 LYS A 312 19.502 9.609 14.540 1.00 25.00 H new ATOM 281 N GLU A 313 22.816 5.963 10.097 1.00 25.00 N ATOM 282 CA GLU A 313 24.132 5.877 9.465 1.00 25.00 C ATOM 283 C GLU A 313 24.108 6.629 8.131 1.00 25.00 C ATOM 284 O GLU A 313 25.094 7.237 7.725 1.00 25.00 O ATOM 285 CB GLU A 313 24.501 4.408 9.220 1.00 25.00 C ATOM 286 CG GLU A 313 25.922 4.049 9.632 1.00 25.00 C ATOM 287 CD GLU A 313 26.062 3.893 11.144 1.00 25.00 C ATOM 288 OE1 GLU A 313 25.727 2.807 11.670 1.00 25.00 O ATOM 289 OE2 GLU A 313 26.498 4.860 11.809 1.00 25.00 O ATOM 0 H GLU A 313 22.349 5.063 10.210 1.00 25.00 H new ATOM 0 HA GLU A 313 24.875 6.326 10.124 1.00 25.00 H new ATOM 0 HB2 GLU A 313 23.804 3.773 9.767 1.00 25.00 H new ATOM 0 HB3 GLU A 313 24.373 4.184 8.161 1.00 25.00 H new ATOM 0 HG2 GLU A 313 26.216 3.120 9.144 1.00 25.00 H new ATOM 0 HG3 GLU A 313 26.606 4.823 9.283 1.00 25.00 H new ATOM 296 N LEU A 314 22.955 6.598 7.472 1.00 25.00 N ATOM 297 CA LEU A 314 22.747 7.299 6.198 1.00 25.00 C ATOM 298 C LEU A 314 22.622 8.818 6.383 1.00 25.00 C ATOM 299 O LEU A 314 22.474 9.561 5.419 1.00 25.00 O ATOM 300 CB LEU A 314 21.490 6.752 5.502 1.00 25.00 C ATOM 301 CG LEU A 314 21.699 5.842 4.277 1.00 25.00 C ATOM 302 CD1 LEU A 314 22.318 6.620 3.111 1.00 25.00 C ATOM 303 CD2 LEU A 314 22.563 4.620 4.606 1.00 25.00 C ATOM 0 H LEU A 314 22.135 6.088 7.801 1.00 25.00 H new ATOM 0 HA LEU A 314 23.625 7.118 5.578 1.00 25.00 H new ATOM 0 HB2 LEU A 314 20.911 6.196 6.240 1.00 25.00 H new ATOM 0 HB3 LEU A 314 20.880 7.601 5.192 1.00 25.00 H new ATOM 0 HG LEU A 314 20.712 5.485 3.982 1.00 25.00 H new ATOM 0 HD11 LEU A 314 22.454 5.953 2.260 1.00 25.00 H new ATOM 0 HD12 LEU A 314 21.656 7.439 2.828 1.00 25.00 H new ATOM 0 HD13 LEU A 314 23.284 7.023 3.415 1.00 25.00 H new ATOM 0 HD21 LEU A 314 22.683 4.008 3.712 1.00 25.00 H new ATOM 0 HD22 LEU A 314 23.542 4.950 4.954 1.00 25.00 H new ATOM 0 HD23 LEU A 314 22.080 4.032 5.386 1.00 25.00 H new ATOM 315 N GLY A 315 22.709 9.279 7.623 1.00 25.00 N ATOM 316 CA GLY A 315 22.674 10.704 7.895 1.00 25.00 C ATOM 317 C GLY A 315 21.355 11.322 8.318 1.00 25.00 C ATOM 318 O GLY A 315 21.165 12.519 8.110 1.00 25.00 O ATOM 0 H GLY A 315 22.804 8.689 8.450 1.00 25.00 H new ATOM 0 HA2 GLY A 315 23.405 10.911 8.677 1.00 25.00 H new ATOM 0 HA3 GLY A 315 23.012 11.222 6.998 1.00 25.00 H new ATOM 322 N GLU A 316 20.450 10.580 8.946 1.00 25.00 N ATOM 323 CA GLU A 316 19.213 11.206 9.462 1.00 25.00 C ATOM 324 C GLU A 316 19.557 12.252 10.532 1.00 25.00 C ATOM 325 O GLU A 316 18.736 13.090 10.887 1.00 25.00 O ATOM 326 CB GLU A 316 18.219 10.175 10.021 1.00 25.00 C ATOM 327 CG GLU A 316 18.472 9.713 11.470 1.00 25.00 C ATOM 328 CD GLU A 316 17.894 10.642 12.539 1.00 25.00 C ATOM 329 OE1 GLU A 316 16.755 11.140 12.400 1.00 25.00 O ATOM 330 OE2 GLU A 316 18.603 10.862 13.549 1.00 25.00 O ATOM 0 H GLU A 316 20.532 9.577 9.112 1.00 25.00 H new ATOM 0 HA GLU A 316 18.723 11.694 8.620 1.00 25.00 H new ATOM 0 HB2 GLU A 316 17.216 10.598 9.965 1.00 25.00 H new ATOM 0 HB3 GLU A 316 18.232 9.298 9.373 1.00 25.00 H new ATOM 0 HG2 GLU A 316 18.046 8.718 11.601 1.00 25.00 H new ATOM 0 HG3 GLU A 316 19.547 9.622 11.627 1.00 25.00 H new ATOM 337 N LEU A 317 20.789 12.217 11.023 1.00 25.00 N ATOM 338 CA LEU A 317 21.270 13.197 11.992 1.00 25.00 C ATOM 339 C LEU A 317 21.223 14.609 11.400 1.00 25.00 C ATOM 340 O LEU A 317 21.013 15.580 12.118 1.00 25.00 O ATOM 341 CB LEU A 317 22.710 12.857 12.401 1.00 25.00 C ATOM 342 CG LEU A 317 22.908 11.525 13.110 1.00 25.00 C ATOM 343 CD1 LEU A 317 24.376 11.224 13.041 1.00 25.00 C ATOM 344 CD2 LEU A 317 22.435 11.640 14.547 1.00 25.00 C ATOM 0 H LEU A 317 21.481 11.513 10.764 1.00 25.00 H new ATOM 0 HA LEU A 317 20.624 13.165 12.869 1.00 25.00 H new ATOM 0 HB2 LEU A 317 23.332 12.865 11.506 1.00 25.00 H new ATOM 0 HB3 LEU A 317 23.078 13.650 13.052 1.00 25.00 H new ATOM 0 HG LEU A 317 22.334 10.723 12.645 1.00 25.00 H new ATOM 0 HD11 LEU A 317 24.576 10.274 13.537 1.00 25.00 H new ATOM 0 HD12 LEU A 317 24.686 11.161 11.998 1.00 25.00 H new ATOM 0 HD13 LEU A 317 24.934 12.018 13.538 1.00 25.00 H new ATOM 0 HD21 LEU A 317 22.577 10.686 15.054 1.00 25.00 H new ATOM 0 HD22 LEU A 317 23.010 12.412 15.059 1.00 25.00 H new ATOM 0 HD23 LEU A 317 21.378 11.905 14.562 1.00 25.00 H new ATOM 356 N ARG A 318 21.399 14.708 10.084 1.00 25.00 N ATOM 357 CA ARG A 318 21.299 15.981 9.354 1.00 25.00 C ATOM 358 C ARG A 318 20.061 15.910 8.452 1.00 25.00 C ATOM 359 O ARG A 318 19.894 16.694 7.534 1.00 25.00 O ATOM 360 CB ARG A 318 22.584 16.290 8.557 1.00 25.00 C ATOM 361 CG ARG A 318 23.357 15.064 8.069 1.00 25.00 C ATOM 362 CD ARG A 318 24.394 15.438 7.014 1.00 25.00 C ATOM 363 NE ARG A 318 25.127 14.248 6.538 1.00 25.00 N ATOM 364 CZ ARG A 318 25.434 13.979 5.270 1.00 25.00 C ATOM 365 NH1 ARG A 318 25.100 14.755 4.272 1.00 25.00 N ATOM 366 NH2 ARG A 318 26.092 12.886 5.002 1.00 25.00 N ATOM 0 H ARG A 318 21.616 13.909 9.488 1.00 25.00 H new ATOM 0 HA ARG A 318 21.191 16.805 10.059 1.00 25.00 H new ATOM 0 HB2 ARG A 318 22.319 16.900 7.694 1.00 25.00 H new ATOM 0 HB3 ARG A 318 23.244 16.891 9.182 1.00 25.00 H new ATOM 0 HG2 ARG A 318 23.853 14.586 8.914 1.00 25.00 H new ATOM 0 HG3 ARG A 318 22.661 14.336 7.654 1.00 25.00 H new ATOM 0 HD2 ARG A 318 23.901 15.925 6.173 1.00 25.00 H new ATOM 0 HD3 ARG A 318 25.097 16.158 7.432 1.00 25.00 H new ATOM 0 HE ARG A 318 25.424 13.572 7.242 1.00 25.00 H new ATOM 0 HH11 ARG A 318 24.579 15.614 4.446 1.00 25.00 H new ATOM 0 HH12 ARG A 318 25.361 14.501 3.319 1.00 25.00 H new ATOM 0 HH21 ARG A 318 26.362 12.255 5.757 1.00 25.00 H new ATOM 0 HH22 ARG A 318 26.337 12.662 4.038 1.00 25.00 H new ATOM 380 N LYS A 319 19.208 14.940 8.767 1.00 25.00 N ATOM 381 CA LYS A 319 17.932 14.671 8.084 1.00 25.00 C ATOM 382 C LYS A 319 18.056 14.414 6.588 1.00 25.00 C ATOM 383 O LYS A 319 17.202 14.808 5.803 1.00 25.00 O ATOM 384 CB LYS A 319 16.912 15.781 8.393 1.00 25.00 C ATOM 385 CG LYS A 319 16.528 15.845 9.880 1.00 25.00 C ATOM 386 CD LYS A 319 15.619 14.666 10.280 1.00 25.00 C ATOM 387 CE LYS A 319 15.394 14.615 11.786 1.00 25.00 C ATOM 388 NZ LYS A 319 16.571 13.994 12.483 1.00 25.00 N ATOM 0 H LYS A 319 19.387 14.291 9.533 1.00 25.00 H new ATOM 0 HA LYS A 319 17.566 13.728 8.491 1.00 25.00 H new ATOM 0 HB2 LYS A 319 17.326 16.742 8.088 1.00 25.00 H new ATOM 0 HB3 LYS A 319 16.014 15.618 7.798 1.00 25.00 H new ATOM 0 HG2 LYS A 319 17.431 15.833 10.491 1.00 25.00 H new ATOM 0 HG3 LYS A 319 16.017 16.786 10.085 1.00 25.00 H new ATOM 0 HD2 LYS A 319 14.659 14.757 9.771 1.00 25.00 H new ATOM 0 HD3 LYS A 319 16.068 13.730 9.947 1.00 25.00 H new ATOM 0 HE2 LYS A 319 15.230 15.623 12.168 1.00 25.00 H new ATOM 0 HE3 LYS A 319 14.493 14.042 12.004 1.00 25.00 H new ATOM 0 HZ1 LYS A 319 16.744 14.489 13.381 1.00 25.00 H new ATOM 0 HZ2 LYS A 319 16.372 12.991 12.673 1.00 25.00 H new ATOM 0 HZ3 LYS A 319 17.413 14.071 11.878 1.00 25.00 H new ATOM 402 N GLU A 320 19.112 13.715 6.215 1.00 25.00 N ATOM 403 CA GLU A 320 19.298 13.293 4.833 1.00 25.00 C ATOM 404 C GLU A 320 18.453 12.032 4.645 1.00 25.00 C ATOM 405 O GLU A 320 18.287 11.249 5.595 1.00 25.00 O ATOM 406 CB GLU A 320 20.764 12.946 4.569 1.00 25.00 C ATOM 407 CG GLU A 320 21.744 14.066 4.872 1.00 25.00 C ATOM 408 CD GLU A 320 21.777 15.184 3.830 1.00 25.00 C ATOM 409 OE1 GLU A 320 21.020 15.145 2.839 1.00 25.00 O ATOM 410 OE2 GLU A 320 22.602 16.115 4.021 1.00 25.00 O ATOM 0 H GLU A 320 19.857 13.425 6.849 1.00 25.00 H new ATOM 0 HA GLU A 320 19.007 14.090 4.149 1.00 25.00 H new ATOM 0 HB2 GLU A 320 21.031 12.075 5.168 1.00 25.00 H new ATOM 0 HB3 GLU A 320 20.873 12.659 3.523 1.00 25.00 H new ATOM 0 HG2 GLU A 320 21.493 14.498 5.841 1.00 25.00 H new ATOM 0 HG3 GLU A 320 22.744 13.641 4.962 1.00 25.00 H new ATOM 417 N PRO A 321 17.899 11.813 3.441 1.00 25.00 N ATOM 418 CA PRO A 321 17.146 10.569 3.246 1.00 25.00 C ATOM 419 C PRO A 321 18.065 9.372 2.988 1.00 25.00 C ATOM 420 O PRO A 321 19.231 9.540 2.633 1.00 25.00 O ATOM 421 CB PRO A 321 16.323 10.877 1.996 1.00 25.00 C ATOM 422 CG PRO A 321 17.219 11.756 1.193 1.00 25.00 C ATOM 423 CD PRO A 321 17.921 12.632 2.211 1.00 25.00 C ATOM 0 HA PRO A 321 16.557 10.295 4.121 1.00 25.00 H new ATOM 0 HB2 PRO A 321 16.062 9.968 1.454 1.00 25.00 H new ATOM 0 HB3 PRO A 321 15.388 11.379 2.245 1.00 25.00 H new ATOM 0 HG2 PRO A 321 17.934 11.170 0.616 1.00 25.00 H new ATOM 0 HG3 PRO A 321 16.651 12.355 0.481 1.00 25.00 H new ATOM 0 HD2 PRO A 321 18.940 12.868 1.904 1.00 25.00 H new ATOM 0 HD3 PRO A 321 17.402 13.581 2.351 1.00 25.00 H new ATOM 431 N SER A 322 17.539 8.165 3.144 1.00 25.00 N ATOM 432 CA SER A 322 18.298 6.972 2.790 1.00 25.00 C ATOM 433 C SER A 322 18.444 6.919 1.273 1.00 25.00 C ATOM 434 O SER A 322 17.611 7.473 0.546 1.00 25.00 O ATOM 435 CB SER A 322 17.579 5.715 3.268 1.00 25.00 C ATOM 436 OG SER A 322 17.359 5.767 4.666 1.00 25.00 O ATOM 0 H SER A 322 16.603 7.986 3.508 1.00 25.00 H new ATOM 0 HA SER A 322 19.276 7.016 3.269 1.00 25.00 H new ATOM 0 HB2 SER A 322 16.626 5.615 2.748 1.00 25.00 H new ATOM 0 HB3 SER A 322 18.172 4.834 3.020 1.00 25.00 H new ATOM 0 HG SER A 322 16.419 5.565 4.857 1.00 25.00 H new ATOM 442 N LEU A 323 19.489 6.249 0.809 1.00 25.00 N ATOM 443 CA LEU A 323 19.766 6.108 -0.619 1.00 25.00 C ATOM 444 C LEU A 323 19.679 4.634 -0.988 1.00 25.00 C ATOM 445 O LEU A 323 19.779 4.308 -2.188 1.00 25.00 O ATOM 446 CB LEU A 323 21.165 6.653 -0.938 1.00 25.00 C ATOM 447 CG LEU A 323 21.442 8.107 -0.587 1.00 25.00 C ATOM 448 CD1 LEU A 323 22.919 8.278 -0.798 1.00 25.00 C ATOM 449 CD2 LEU A 323 20.647 9.031 -1.481 1.00 25.00 C ATOM 450 OXT LEU A 323 19.521 3.824 -0.049 1.00 25.00 O ATOM 0 H LEU A 323 20.171 5.786 1.410 1.00 25.00 H new ATOM 0 HA LEU A 323 19.037 6.675 -1.197 1.00 25.00 H new ATOM 0 HB2 LEU A 323 21.895 6.035 -0.416 1.00 25.00 H new ATOM 0 HB3 LEU A 323 21.342 6.524 -2.006 1.00 25.00 H new ATOM 0 HG LEU A 323 21.150 8.352 0.434 1.00 25.00 H new ATOM 0 HD11 LEU A 323 23.203 9.304 -0.566 1.00 25.00 H new ATOM 0 HD12 LEU A 323 23.461 7.595 -0.145 1.00 25.00 H new ATOM 0 HD13 LEU A 323 23.166 8.059 -1.837 1.00 25.00 H new ATOM 0 HD21 LEU A 323 20.859 10.066 -1.214 1.00 25.00 H new ATOM 0 HD22 LEU A 323 20.926 8.860 -2.521 1.00 25.00 H new ATOM 0 HD23 LEU A 323 19.583 8.834 -1.353 1.00 25.00 H new TER 462 LEU A 323