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 Set 1.1: A 302 LYS NZ :NH3+ -120:sc= 0.911 (180deg=0) USER MOD Set 1.2: A 306 TYR OH : rot 180:sc= 0 USER MOD Single : A 305 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 307 LYS NZ :NH3+ -136:sc= 1.07 (180deg=0.138) USER MOD Single : A 308 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 312 LYS NZ :NH3+ 167:sc= -0.409! (180deg=-0.65) USER MOD Single : A 319 LYS NZ :NH3+ -156:sc= 0.648 (180deg=0.35) USER MOD Single : A 322 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N ARG A 300 18.210 -14.362 12.080 1.00 25.00 N ATOM 32 CA ARG A 300 17.888 -12.985 12.473 1.00 25.00 C ATOM 33 C ARG A 300 17.805 -12.149 11.198 1.00 25.00 C ATOM 34 O ARG A 300 18.449 -12.465 10.200 1.00 25.00 O ATOM 35 CB ARG A 300 18.971 -12.414 13.399 1.00 25.00 C ATOM 36 CG ARG A 300 18.842 -12.840 14.867 1.00 25.00 C ATOM 37 CD ARG A 300 17.750 -12.038 15.584 1.00 25.00 C ATOM 38 NE ARG A 300 17.673 -12.343 17.022 1.00 25.00 N ATOM 39 CZ ARG A 300 16.826 -11.776 17.879 1.00 25.00 C ATOM 40 NH1 ARG A 300 15.961 -10.860 17.530 1.00 25.00 N ATOM 41 NH2 ARG A 300 16.854 -12.144 19.131 1.00 25.00 N ATOM 0 HA ARG A 300 16.943 -12.965 13.015 1.00 25.00 H new ATOM 0 HB2 ARG A 300 19.948 -12.724 13.029 1.00 25.00 H new ATOM 0 HB3 ARG A 300 18.940 -11.326 13.346 1.00 25.00 H new ATOM 0 HG2 ARG A 300 18.610 -13.904 14.920 1.00 25.00 H new ATOM 0 HG3 ARG A 300 19.795 -12.696 15.375 1.00 25.00 H new ATOM 0 HD2 ARG A 300 17.941 -10.973 15.452 1.00 25.00 H new ATOM 0 HD3 ARG A 300 16.786 -12.248 15.120 1.00 25.00 H new ATOM 0 HE ARG A 300 18.318 -13.042 17.390 1.00 25.00 H new ATOM 0 HH11 ARG A 300 15.913 -10.547 16.560 1.00 25.00 H new ATOM 0 HH12 ARG A 300 15.334 -10.458 18.227 1.00 25.00 H new ATOM 0 HH21 ARG A 300 17.517 -12.855 19.439 1.00 25.00 H new ATOM 0 HH22 ARG A 300 16.213 -11.720 19.802 1.00 25.00 H new ATOM 55 N ARG A 301 17.005 -11.098 11.239 1.00 25.00 N ATOM 56 CA ARG A 301 16.755 -10.222 10.086 1.00 25.00 C ATOM 57 C ARG A 301 17.535 -8.913 10.115 1.00 25.00 C ATOM 58 O ARG A 301 17.356 -8.097 9.219 1.00 25.00 O ATOM 59 CB ARG A 301 15.260 -9.862 10.060 1.00 25.00 C ATOM 60 CG ARG A 301 14.377 -10.808 9.257 1.00 25.00 C ATOM 61 CD ARG A 301 14.157 -12.136 9.969 1.00 25.00 C ATOM 62 NE ARG A 301 13.046 -12.884 9.358 1.00 25.00 N ATOM 63 CZ ARG A 301 12.640 -14.091 9.732 1.00 25.00 C ATOM 64 NH1 ARG A 301 13.228 -14.764 10.688 1.00 25.00 N ATOM 65 NH2 ARG A 301 11.619 -14.632 9.125 1.00 25.00 N ATOM 0 H ARG A 301 16.500 -10.817 12.080 1.00 25.00 H new ATOM 0 HA ARG A 301 17.079 -10.778 9.206 1.00 25.00 H new ATOM 0 HB2 ARG A 301 14.893 -9.831 11.086 1.00 25.00 H new ATOM 0 HB3 ARG A 301 15.152 -8.857 9.652 1.00 25.00 H new ATOM 0 HG2 ARG A 301 13.413 -10.333 9.072 1.00 25.00 H new ATOM 0 HG3 ARG A 301 14.834 -10.991 8.285 1.00 25.00 H new ATOM 0 HD2 ARG A 301 15.069 -12.732 9.925 1.00 25.00 H new ATOM 0 HD3 ARG A 301 13.944 -11.957 11.023 1.00 25.00 H new ATOM 0 HE ARG A 301 12.549 -12.440 8.586 1.00 25.00 H new ATOM 0 HH11 ARG A 301 14.029 -14.363 11.175 1.00 25.00 H new ATOM 0 HH12 ARG A 301 12.885 -15.689 10.946 1.00 25.00 H new ATOM 0 HH21 ARG A 301 11.146 -14.128 8.375 1.00 25.00 H new ATOM 0 HH22 ARG A 301 11.294 -15.559 9.400 1.00 25.00 H new ATOM 79 N LYS A 302 18.363 -8.714 11.140 1.00 25.00 N ATOM 80 CA LYS A 302 19.091 -7.442 11.379 1.00 25.00 C ATOM 81 C LYS A 302 18.010 -6.409 11.660 1.00 25.00 C ATOM 82 O LYS A 302 17.899 -5.399 10.973 1.00 25.00 O ATOM 83 CB LYS A 302 19.970 -6.973 10.198 1.00 25.00 C ATOM 84 CG LYS A 302 21.215 -7.800 9.921 1.00 25.00 C ATOM 85 CD LYS A 302 21.697 -7.617 8.458 1.00 25.00 C ATOM 86 CE LYS A 302 21.849 -6.135 8.012 1.00 25.00 C ATOM 87 NZ LYS A 302 22.873 -5.356 8.788 1.00 25.00 N ATOM 0 H LYS A 302 18.557 -9.429 11.841 1.00 25.00 H new ATOM 0 HA LYS A 302 19.793 -7.582 12.201 1.00 25.00 H new ATOM 0 HB2 LYS A 302 19.357 -6.963 9.297 1.00 25.00 H new ATOM 0 HB3 LYS A 302 20.276 -5.944 10.386 1.00 25.00 H new ATOM 0 HG2 LYS A 302 22.009 -7.507 10.608 1.00 25.00 H new ATOM 0 HG3 LYS A 302 21.004 -8.853 10.108 1.00 25.00 H new ATOM 0 HD2 LYS A 302 22.657 -8.120 8.339 1.00 25.00 H new ATOM 0 HD3 LYS A 302 20.992 -8.114 7.791 1.00 25.00 H new ATOM 0 HE2 LYS A 302 22.116 -6.112 6.956 1.00 25.00 H new ATOM 0 HE3 LYS A 302 20.883 -5.639 8.108 1.00 25.00 H new ATOM 0 HZ1 LYS A 302 22.414 -4.549 9.256 1.00 25.00 H new ATOM 0 HZ2 LYS A 302 23.307 -5.971 9.505 1.00 25.00 H new ATOM 0 HZ3 LYS A 302 23.608 -5.007 8.140 1.00 25.00 H new ATOM 115 N GLY A 304 15.097 -3.805 13.005 1.00 25.00 N ATOM 116 CA GLY A 304 14.117 -3.057 13.807 1.00 25.00 C ATOM 117 C GLY A 304 14.756 -2.028 14.717 1.00 25.00 C ATOM 118 O GLY A 304 14.868 -0.852 14.362 1.00 25.00 O ATOM 0 HA2 GLY A 304 13.416 -2.557 13.139 1.00 25.00 H new ATOM 0 HA3 GLY A 304 13.539 -3.758 14.410 1.00 25.00 H new ATOM 122 N LYS A 305 15.230 -2.475 15.877 1.00 25.00 N ATOM 123 CA LYS A 305 16.015 -1.618 16.770 1.00 25.00 C ATOM 124 C LYS A 305 17.280 -1.271 16.001 1.00 25.00 C ATOM 125 O LYS A 305 17.908 -0.250 16.247 1.00 25.00 O ATOM 126 CB LYS A 305 16.332 -2.318 18.114 1.00 25.00 C ATOM 127 CG LYS A 305 17.074 -3.686 18.024 1.00 25.00 C ATOM 128 CD LYS A 305 18.618 -3.580 18.049 1.00 25.00 C ATOM 129 CE LYS A 305 19.161 -3.322 19.457 1.00 25.00 C ATOM 130 NZ LYS A 305 20.671 -3.267 19.461 1.00 25.00 N ATOM 0 H LYS A 305 15.086 -3.424 16.223 1.00 25.00 H new ATOM 0 HA LYS A 305 15.459 -0.721 17.044 1.00 25.00 H new ATOM 0 HB2 LYS A 305 16.936 -1.641 18.718 1.00 25.00 H new ATOM 0 HB3 LYS A 305 15.395 -2.472 18.649 1.00 25.00 H new ATOM 0 HG2 LYS A 305 16.752 -4.315 18.854 1.00 25.00 H new ATOM 0 HG3 LYS A 305 16.772 -4.190 17.106 1.00 25.00 H new ATOM 0 HD2 LYS A 305 19.049 -4.502 17.659 1.00 25.00 H new ATOM 0 HD3 LYS A 305 18.935 -2.775 17.387 1.00 25.00 H new ATOM 0 HE2 LYS A 305 18.760 -2.383 19.837 1.00 25.00 H new ATOM 0 HE3 LYS A 305 18.822 -4.109 20.130 1.00 25.00 H new ATOM 0 HZ1 LYS A 305 21.009 -3.091 20.429 1.00 25.00 H new ATOM 0 HZ2 LYS A 305 21.052 -4.173 19.120 1.00 25.00 H new ATOM 0 HZ3 LYS A 305 20.992 -2.499 18.837 1.00 25.00 H new ATOM 144 N TYR A 306 17.625 -2.134 15.054 1.00 25.00 N ATOM 145 CA TYR A 306 18.724 -1.897 14.146 1.00 25.00 C ATOM 146 C TYR A 306 18.320 -0.976 13.006 1.00 25.00 C ATOM 147 O TYR A 306 19.041 -0.058 12.681 1.00 25.00 O ATOM 148 CB TYR A 306 19.180 -3.200 13.508 1.00 25.00 C ATOM 149 CG TYR A 306 20.262 -2.958 12.489 1.00 25.00 C ATOM 150 CD1 TYR A 306 21.533 -2.471 12.873 1.00 25.00 C ATOM 151 CD2 TYR A 306 20.016 -3.184 11.124 1.00 25.00 C ATOM 152 CE1 TYR A 306 22.542 -2.231 11.900 1.00 25.00 C ATOM 153 CE2 TYR A 306 21.019 -2.952 10.156 1.00 25.00 C ATOM 154 CZ TYR A 306 22.271 -2.480 10.549 1.00 25.00 C ATOM 155 OH TYR A 306 23.237 -2.267 9.601 1.00 25.00 O ATOM 0 H TYR A 306 17.144 -3.020 14.899 1.00 25.00 H new ATOM 0 HA TYR A 306 19.519 -1.443 14.738 1.00 25.00 H new ATOM 0 HB2 TYR A 306 19.548 -3.876 14.279 1.00 25.00 H new ATOM 0 HB3 TYR A 306 18.332 -3.691 13.032 1.00 25.00 H new ATOM 0 HD1 TYR A 306 21.739 -2.279 13.916 1.00 25.00 H new ATOM 0 HD2 TYR A 306 19.046 -3.540 10.810 1.00 25.00 H new ATOM 0 HE1 TYR A 306 23.510 -1.859 12.201 1.00 25.00 H new ATOM 0 HE2 TYR A 306 20.816 -3.140 9.112 1.00 25.00 H new ATOM 0 HH TYR A 306 22.882 -2.491 8.716 1.00 25.00 H new ATOM 165 N LYS A 307 17.171 -1.222 12.382 1.00 25.00 N ATOM 166 CA LYS A 307 16.785 -0.448 11.195 1.00 25.00 C ATOM 167 C LYS A 307 16.709 1.062 11.449 1.00 25.00 C ATOM 168 O LYS A 307 17.051 1.860 10.587 1.00 25.00 O ATOM 169 CB LYS A 307 15.480 -0.952 10.572 1.00 25.00 C ATOM 170 CG LYS A 307 15.254 -0.321 9.188 1.00 25.00 C ATOM 171 CD LYS A 307 14.435 -1.191 8.247 1.00 25.00 C ATOM 172 CE LYS A 307 14.391 -0.567 6.840 1.00 25.00 C ATOM 173 NZ LYS A 307 15.722 -0.654 6.121 1.00 25.00 N ATOM 0 H LYS A 307 16.500 -1.935 12.667 1.00 25.00 H new ATOM 0 HA LYS A 307 17.591 -0.611 10.480 1.00 25.00 H new ATOM 0 HB2 LYS A 307 15.511 -2.038 10.481 1.00 25.00 H new ATOM 0 HB3 LYS A 307 14.643 -0.711 11.227 1.00 25.00 H new ATOM 0 HG2 LYS A 307 14.751 0.638 9.313 1.00 25.00 H new ATOM 0 HG3 LYS A 307 16.221 -0.116 8.730 1.00 25.00 H new ATOM 0 HD2 LYS A 307 14.868 -2.190 8.195 1.00 25.00 H new ATOM 0 HD3 LYS A 307 13.422 -1.303 8.634 1.00 25.00 H new ATOM 0 HE2 LYS A 307 13.628 -1.071 6.247 1.00 25.00 H new ATOM 0 HE3 LYS A 307 14.093 0.478 6.920 1.00 25.00 H new ATOM 0 HZ1 LYS A 307 15.927 0.255 5.659 1.00 25.00 H new ATOM 0 HZ2 LYS A 307 16.473 -0.872 6.806 1.00 25.00 H new ATOM 0 HZ3 LYS A 307 15.680 -1.405 5.403 1.00 25.00 H new ATOM 187 N LYS A 308 16.286 1.465 12.639 1.00 25.00 N ATOM 188 CA LYS A 308 16.247 2.898 12.955 1.00 25.00 C ATOM 189 C LYS A 308 17.659 3.509 12.958 1.00 25.00 C ATOM 190 O LYS A 308 17.816 4.681 12.664 1.00 25.00 O ATOM 191 CB LYS A 308 15.526 3.158 14.286 1.00 25.00 C ATOM 192 CG LYS A 308 16.220 2.588 15.517 1.00 25.00 C ATOM 193 CD LYS A 308 15.441 2.919 16.780 1.00 25.00 C ATOM 194 CE LYS A 308 16.200 2.460 18.021 1.00 25.00 C ATOM 195 NZ LYS A 308 15.457 2.825 19.281 1.00 25.00 N ATOM 0 H LYS A 308 15.972 0.846 13.386 1.00 25.00 H new ATOM 0 HA LYS A 308 15.675 3.391 12.169 1.00 25.00 H new ATOM 0 HB2 LYS A 308 15.414 4.234 14.417 1.00 25.00 H new ATOM 0 HB3 LYS A 308 14.522 2.738 14.226 1.00 25.00 H new ATOM 0 HG2 LYS A 308 16.317 1.507 15.417 1.00 25.00 H new ATOM 0 HG3 LYS A 308 17.229 2.993 15.591 1.00 25.00 H new ATOM 0 HD2 LYS A 308 15.265 3.993 16.833 1.00 25.00 H new ATOM 0 HD3 LYS A 308 14.464 2.437 16.747 1.00 25.00 H new ATOM 0 HE2 LYS A 308 16.347 1.381 17.982 1.00 25.00 H new ATOM 0 HE3 LYS A 308 17.190 2.916 18.034 1.00 25.00 H new ATOM 0 HZ1 LYS A 308 15.997 2.500 20.109 1.00 25.00 H new ATOM 0 HZ2 LYS A 308 15.339 3.857 19.328 1.00 25.00 H new ATOM 0 HZ3 LYS A 308 14.522 2.369 19.277 1.00 25.00 H new ATOM 209 N VAL A 309 18.668 2.707 13.281 1.00 25.00 N ATOM 210 CA VAL A 309 20.074 3.134 13.237 1.00 25.00 C ATOM 211 C VAL A 309 20.583 3.061 11.811 1.00 25.00 C ATOM 212 O VAL A 309 21.323 3.914 11.375 1.00 25.00 O ATOM 213 CB VAL A 309 20.963 2.238 14.146 1.00 25.00 C ATOM 214 CG1 VAL A 309 22.448 2.516 13.942 1.00 25.00 C ATOM 215 CG2 VAL A 309 20.615 2.497 15.581 1.00 25.00 C ATOM 0 H VAL A 309 18.541 1.741 13.582 1.00 25.00 H new ATOM 0 HA VAL A 309 20.129 4.159 13.603 1.00 25.00 H new ATOM 0 HB VAL A 309 20.773 1.198 13.879 1.00 25.00 H new ATOM 0 HG11 VAL A 309 23.033 1.869 14.596 1.00 25.00 H new ATOM 0 HG12 VAL A 309 22.716 2.320 12.904 1.00 25.00 H new ATOM 0 HG13 VAL A 309 22.659 3.558 14.180 1.00 25.00 H new ATOM 0 HG21 VAL A 309 21.235 1.872 16.224 1.00 25.00 H new ATOM 0 HG22 VAL A 309 20.793 3.547 15.815 1.00 25.00 H new ATOM 0 HG23 VAL A 309 19.564 2.261 15.749 1.00 25.00 H new ATOM 225 N GLU A 310 20.166 2.034 11.091 1.00 25.00 N ATOM 226 CA GLU A 310 20.593 1.818 9.711 1.00 25.00 C ATOM 227 C GLU A 310 20.362 3.075 8.870 1.00 25.00 C ATOM 228 O GLU A 310 21.242 3.499 8.148 1.00 25.00 O ATOM 229 CB GLU A 310 19.819 0.622 9.147 1.00 25.00 C ATOM 230 CG GLU A 310 20.286 0.098 7.807 1.00 25.00 C ATOM 231 CD GLU A 310 19.455 -1.106 7.373 1.00 25.00 C ATOM 232 OE1 GLU A 310 18.205 -0.984 7.330 1.00 25.00 O ATOM 233 OE2 GLU A 310 20.036 -2.178 7.088 1.00 25.00 O ATOM 0 H GLU A 310 19.523 1.325 11.442 1.00 25.00 H new ATOM 0 HA GLU A 310 21.662 1.605 9.681 1.00 25.00 H new ATOM 0 HB2 GLU A 310 19.871 -0.192 9.870 1.00 25.00 H new ATOM 0 HB3 GLU A 310 18.770 0.904 9.058 1.00 25.00 H new ATOM 0 HG2 GLU A 310 20.211 0.886 7.058 1.00 25.00 H new ATOM 0 HG3 GLU A 310 21.337 -0.184 7.869 1.00 25.00 H new ATOM 240 N ILE A 311 19.185 3.675 8.988 1.00 25.00 N ATOM 241 CA ILE A 311 18.859 4.896 8.237 1.00 25.00 C ATOM 242 C ILE A 311 19.643 6.106 8.790 1.00 25.00 C ATOM 243 O ILE A 311 20.008 7.024 8.052 1.00 25.00 O ATOM 244 CB ILE A 311 17.314 5.167 8.274 1.00 25.00 C ATOM 245 CG1 ILE A 311 16.561 3.961 7.664 1.00 25.00 C ATOM 246 CG2 ILE A 311 16.942 6.442 7.468 1.00 25.00 C ATOM 247 CD1 ILE A 311 15.041 3.968 7.903 1.00 25.00 C ATOM 0 H ILE A 311 18.436 3.342 9.594 1.00 25.00 H new ATOM 0 HA ILE A 311 19.156 4.750 7.198 1.00 25.00 H new ATOM 0 HB ILE A 311 17.027 5.313 9.315 1.00 25.00 H new ATOM 0 HG12 ILE A 311 16.747 3.939 6.590 1.00 25.00 H new ATOM 0 HG13 ILE A 311 16.977 3.042 8.078 1.00 25.00 H new ATOM 0 HG21 ILE A 311 15.865 6.600 7.514 1.00 25.00 H new ATOM 0 HG22 ILE A 311 17.454 7.304 7.895 1.00 25.00 H new ATOM 0 HG23 ILE A 311 17.246 6.317 6.429 1.00 25.00 H new ATOM 0 HD11 ILE A 311 14.596 3.087 7.441 1.00 25.00 H new ATOM 0 HD12 ILE A 311 14.841 3.956 8.974 1.00 25.00 H new ATOM 0 HD13 ILE A 311 14.608 4.866 7.463 1.00 25.00 H new ATOM 259 N LYS A 312 19.919 6.109 10.088 1.00 25.00 N ATOM 260 CA LYS A 312 20.666 7.212 10.707 1.00 25.00 C ATOM 261 C LYS A 312 22.109 7.223 10.273 1.00 25.00 C ATOM 262 O LYS A 312 22.625 8.277 9.893 1.00 25.00 O ATOM 263 CB LYS A 312 20.534 7.168 12.225 1.00 25.00 C ATOM 264 CG LYS A 312 19.205 7.732 12.643 1.00 25.00 C ATOM 265 CD LYS A 312 18.876 7.481 14.095 1.00 25.00 C ATOM 266 CE LYS A 312 17.486 8.034 14.413 1.00 25.00 C ATOM 267 NZ LYS A 312 16.434 7.458 13.492 1.00 25.00 N ATOM 0 H LYS A 312 19.642 5.369 10.734 1.00 25.00 H new ATOM 0 HA LYS A 312 20.227 8.147 10.360 1.00 25.00 H new ATOM 0 HB2 LYS A 312 20.629 6.141 12.577 1.00 25.00 H new ATOM 0 HB3 LYS A 312 21.341 7.738 12.685 1.00 25.00 H new ATOM 0 HG2 LYS A 312 19.200 8.806 12.458 1.00 25.00 H new ATOM 0 HG3 LYS A 312 18.423 7.298 12.021 1.00 25.00 H new ATOM 0 HD2 LYS A 312 18.909 6.412 14.306 1.00 25.00 H new ATOM 0 HD3 LYS A 312 19.621 7.955 14.734 1.00 25.00 H new ATOM 0 HE2 LYS A 312 17.230 7.804 15.447 1.00 25.00 H new ATOM 0 HE3 LYS A 312 17.496 9.120 14.321 1.00 25.00 H new ATOM 0 HZ1 LYS A 312 15.488 7.676 13.866 1.00 25.00 H new ATOM 0 HZ2 LYS A 312 16.536 7.875 12.545 1.00 25.00 H new ATOM 0 HZ3 LYS A 312 16.553 6.427 13.431 1.00 25.00 H new ATOM 281 N GLU A 313 22.746 6.066 10.291 1.00 25.00 N ATOM 282 CA GLU A 313 24.097 5.942 9.752 1.00 25.00 C ATOM 283 C GLU A 313 24.098 6.295 8.257 1.00 25.00 C ATOM 284 O GLU A 313 25.082 6.819 7.739 1.00 25.00 O ATOM 285 CB GLU A 313 24.630 4.521 9.959 1.00 25.00 C ATOM 286 CG GLU A 313 25.705 4.418 11.044 1.00 25.00 C ATOM 287 CD GLU A 313 25.130 4.339 12.460 1.00 25.00 C ATOM 288 OE1 GLU A 313 24.396 5.262 12.886 1.00 25.00 O ATOM 289 OE2 GLU A 313 25.431 3.341 13.154 1.00 25.00 O ATOM 0 H GLU A 313 22.357 5.202 10.669 1.00 25.00 H new ATOM 0 HA GLU A 313 24.750 6.635 10.282 1.00 25.00 H new ATOM 0 HB2 GLU A 313 23.799 3.865 10.220 1.00 25.00 H new ATOM 0 HB3 GLU A 313 25.041 4.156 9.018 1.00 25.00 H new ATOM 0 HG2 GLU A 313 26.316 3.535 10.858 1.00 25.00 H new ATOM 0 HG3 GLU A 313 26.365 5.283 10.975 1.00 25.00 H new ATOM 296 N LEU A 314 22.985 6.030 7.579 1.00 25.00 N ATOM 297 CA LEU A 314 22.820 6.372 6.155 1.00 25.00 C ATOM 298 C LEU A 314 22.434 7.847 5.935 1.00 25.00 C ATOM 299 O LEU A 314 21.881 8.211 4.905 1.00 25.00 O ATOM 300 CB LEU A 314 21.785 5.435 5.495 1.00 25.00 C ATOM 301 CG LEU A 314 22.330 4.315 4.583 1.00 25.00 C ATOM 302 CD1 LEU A 314 23.051 4.895 3.357 1.00 25.00 C ATOM 303 CD2 LEU A 314 23.276 3.363 5.326 1.00 25.00 C ATOM 0 H LEU A 314 22.171 5.574 7.992 1.00 25.00 H new ATOM 0 HA LEU A 314 23.791 6.230 5.680 1.00 25.00 H new ATOM 0 HB2 LEU A 314 21.197 4.970 6.286 1.00 25.00 H new ATOM 0 HB3 LEU A 314 21.101 6.047 4.907 1.00 25.00 H new ATOM 0 HG LEU A 314 21.462 3.743 4.255 1.00 25.00 H new ATOM 0 HD11 LEU A 314 23.423 4.081 2.735 1.00 25.00 H new ATOM 0 HD12 LEU A 314 22.355 5.504 2.780 1.00 25.00 H new ATOM 0 HD13 LEU A 314 23.887 5.512 3.685 1.00 25.00 H new ATOM 0 HD21 LEU A 314 23.631 2.594 4.640 1.00 25.00 H new ATOM 0 HD22 LEU A 314 24.126 3.924 5.714 1.00 25.00 H new ATOM 0 HD23 LEU A 314 22.744 2.893 6.153 1.00 25.00 H new ATOM 315 N GLY A 315 22.760 8.696 6.900 1.00 25.00 N ATOM 316 CA GLY A 315 22.574 10.131 6.746 1.00 25.00 C ATOM 317 C GLY A 315 21.345 10.811 7.321 1.00 25.00 C ATOM 318 O GLY A 315 21.200 12.013 7.141 1.00 25.00 O ATOM 0 H GLY A 315 23.155 8.415 7.798 1.00 25.00 H new ATOM 0 HA2 GLY A 315 23.446 10.618 7.183 1.00 25.00 H new ATOM 0 HA3 GLY A 315 22.591 10.346 5.677 1.00 25.00 H new ATOM 322 N GLU A 316 20.470 10.124 8.042 1.00 25.00 N ATOM 323 CA GLU A 316 19.326 10.818 8.668 1.00 25.00 C ATOM 324 C GLU A 316 19.855 11.858 9.659 1.00 25.00 C ATOM 325 O GLU A 316 19.265 12.918 9.860 1.00 25.00 O ATOM 326 CB GLU A 316 18.441 9.828 9.419 1.00 25.00 C ATOM 327 CG GLU A 316 17.090 10.349 9.854 1.00 25.00 C ATOM 328 CD GLU A 316 16.502 9.485 10.963 1.00 25.00 C ATOM 329 OE1 GLU A 316 16.280 8.273 10.744 1.00 25.00 O ATOM 330 OE2 GLU A 316 16.279 10.006 12.078 1.00 25.00 O ATOM 0 H GLU A 316 20.515 9.119 8.212 1.00 25.00 H new ATOM 0 HA GLU A 316 18.737 11.298 7.887 1.00 25.00 H new ATOM 0 HB2 GLU A 316 18.285 8.955 8.785 1.00 25.00 H new ATOM 0 HB3 GLU A 316 18.979 9.487 10.303 1.00 25.00 H new ATOM 0 HG2 GLU A 316 17.188 11.377 10.203 1.00 25.00 H new ATOM 0 HG3 GLU A 316 16.411 10.365 9.002 1.00 25.00 H new ATOM 337 N LEU A 317 20.993 11.550 10.268 1.00 25.00 N ATOM 338 CA LEU A 317 21.624 12.451 11.231 1.00 25.00 C ATOM 339 C LEU A 317 22.086 13.740 10.552 1.00 25.00 C ATOM 340 O LEU A 317 22.112 14.808 11.172 1.00 25.00 O ATOM 341 CB LEU A 317 22.830 11.757 11.872 1.00 25.00 C ATOM 342 CG LEU A 317 22.539 10.478 12.641 1.00 25.00 C ATOM 343 CD1 LEU A 317 23.862 9.790 12.811 1.00 25.00 C ATOM 344 CD2 LEU A 317 21.902 10.797 13.976 1.00 25.00 C ATOM 0 H LEU A 317 21.502 10.680 10.113 1.00 25.00 H new ATOM 0 HA LEU A 317 20.889 12.703 11.996 1.00 25.00 H new ATOM 0 HB2 LEU A 317 23.551 11.528 11.087 1.00 25.00 H new ATOM 0 HB3 LEU A 317 23.311 12.462 12.550 1.00 25.00 H new ATOM 0 HG LEU A 317 21.834 9.836 12.112 1.00 25.00 H new ATOM 0 HD11 LEU A 317 23.720 8.859 13.359 1.00 25.00 H new ATOM 0 HD12 LEU A 317 24.288 9.573 11.831 1.00 25.00 H new ATOM 0 HD13 LEU A 317 24.540 10.438 13.366 1.00 25.00 H new ATOM 0 HD21 LEU A 317 21.700 9.870 14.514 1.00 25.00 H new ATOM 0 HD22 LEU A 317 22.579 11.417 14.563 1.00 25.00 H new ATOM 0 HD23 LEU A 317 20.967 11.333 13.814 1.00 25.00 H new ATOM 356 N ARG A 318 22.433 13.628 9.275 1.00 25.00 N ATOM 357 CA ARG A 318 22.884 14.769 8.471 1.00 25.00 C ATOM 358 C ARG A 318 21.691 15.580 8.004 1.00 25.00 C ATOM 359 O ARG A 318 21.790 16.786 7.861 1.00 25.00 O ATOM 360 CB ARG A 318 23.611 14.284 7.218 1.00 25.00 C ATOM 361 CG ARG A 318 24.876 13.499 7.453 1.00 25.00 C ATOM 362 CD ARG A 318 26.065 14.437 7.565 1.00 25.00 C ATOM 363 NE ARG A 318 27.308 13.759 7.169 1.00 25.00 N ATOM 364 CZ ARG A 318 27.726 13.605 5.915 1.00 25.00 C ATOM 365 NH1 ARG A 318 27.047 14.042 4.878 1.00 25.00 N ATOM 366 NH2 ARG A 318 28.854 12.985 5.702 1.00 25.00 N ATOM 0 H ARG A 318 22.411 12.746 8.763 1.00 25.00 H new ATOM 0 HA ARG A 318 23.547 15.370 9.093 1.00 25.00 H new ATOM 0 HB2 ARG A 318 22.925 13.665 6.640 1.00 25.00 H new ATOM 0 HB3 ARG A 318 23.853 15.151 6.604 1.00 25.00 H new ATOM 0 HG2 ARG A 318 24.782 12.909 8.365 1.00 25.00 H new ATOM 0 HG3 ARG A 318 25.034 12.797 6.634 1.00 25.00 H new ATOM 0 HD2 ARG A 318 25.905 15.310 6.933 1.00 25.00 H new ATOM 0 HD3 ARG A 318 26.153 14.798 8.590 1.00 25.00 H new ATOM 0 HE ARG A 318 27.894 13.378 7.912 1.00 25.00 H new ATOM 0 HH11 ARG A 318 26.158 14.523 5.016 1.00 25.00 H new ATOM 0 HH12 ARG A 318 27.409 13.900 3.935 1.00 25.00 H new ATOM 0 HH21 ARG A 318 29.397 12.629 6.489 1.00 25.00 H new ATOM 0 HH22 ARG A 318 29.193 12.856 4.749 1.00 25.00 H new ATOM 380 N LYS A 319 20.593 14.845 7.796 1.00 25.00 N ATOM 381 CA LYS A 319 19.264 15.281 7.278 1.00 25.00 C ATOM 382 C LYS A 319 19.231 14.971 5.780 1.00 25.00 C ATOM 383 O LYS A 319 18.418 15.497 5.031 1.00 25.00 O ATOM 384 CB LYS A 319 18.838 16.742 7.592 1.00 25.00 C ATOM 385 CG LYS A 319 18.377 16.984 9.056 1.00 25.00 C ATOM 386 CD LYS A 319 19.525 16.907 10.056 1.00 25.00 C ATOM 387 CE LYS A 319 19.088 17.071 11.481 1.00 25.00 C ATOM 388 NZ LYS A 319 20.308 16.900 12.339 1.00 25.00 N ATOM 0 H LYS A 319 20.597 13.845 7.998 1.00 25.00 H new ATOM 0 HA LYS A 319 18.508 14.716 7.823 1.00 25.00 H new ATOM 0 HB2 LYS A 319 19.676 17.405 7.375 1.00 25.00 H new ATOM 0 HB3 LYS A 319 18.027 17.022 6.919 1.00 25.00 H new ATOM 0 HG2 LYS A 319 17.905 17.964 9.126 1.00 25.00 H new ATOM 0 HG3 LYS A 319 17.620 16.246 9.321 1.00 25.00 H new ATOM 0 HD2 LYS A 319 20.028 15.946 9.947 1.00 25.00 H new ATOM 0 HD3 LYS A 319 20.257 17.679 9.817 1.00 25.00 H new ATOM 0 HE2 LYS A 319 18.642 18.053 11.637 1.00 25.00 H new ATOM 0 HE3 LYS A 319 18.329 16.332 11.739 1.00 25.00 H new ATOM 0 HZ1 LYS A 319 20.022 16.603 13.294 1.00 25.00 H new ATOM 0 HZ2 LYS A 319 20.927 16.176 11.922 1.00 25.00 H new ATOM 0 HZ3 LYS A 319 20.821 17.803 12.397 1.00 25.00 H new ATOM 402 N GLU A 320 20.111 14.061 5.384 1.00 25.00 N ATOM 403 CA GLU A 320 20.162 13.516 4.025 1.00 25.00 C ATOM 404 C GLU A 320 19.974 11.988 4.139 1.00 25.00 C ATOM 405 O GLU A 320 20.919 11.233 3.928 1.00 25.00 O ATOM 406 CB GLU A 320 21.522 13.804 3.365 1.00 25.00 C ATOM 407 CG GLU A 320 21.865 15.281 3.189 1.00 25.00 C ATOM 408 CD GLU A 320 23.014 15.723 4.095 1.00 25.00 C ATOM 409 OE1 GLU A 320 24.131 15.137 4.023 1.00 25.00 O ATOM 410 OE2 GLU A 320 22.803 16.655 4.892 1.00 25.00 O ATOM 0 H GLU A 320 20.822 13.672 6.004 1.00 25.00 H new ATOM 0 HA GLU A 320 19.386 13.976 3.414 1.00 25.00 H new ATOM 0 HB2 GLU A 320 22.304 13.336 3.963 1.00 25.00 H new ATOM 0 HB3 GLU A 320 21.540 13.325 2.386 1.00 25.00 H new ATOM 0 HG2 GLU A 320 22.133 15.468 2.149 1.00 25.00 H new ATOM 0 HG3 GLU A 320 20.983 15.884 3.404 1.00 25.00 H new ATOM 417 N PRO A 321 18.764 11.515 4.503 1.00 25.00 N ATOM 418 CA PRO A 321 18.631 10.060 4.661 1.00 25.00 C ATOM 419 C PRO A 321 18.546 9.303 3.339 1.00 25.00 C ATOM 420 O PRO A 321 18.285 9.887 2.287 1.00 25.00 O ATOM 421 CB PRO A 321 17.312 9.927 5.422 1.00 25.00 C ATOM 422 CG PRO A 321 16.506 11.061 4.929 1.00 25.00 C ATOM 423 CD PRO A 321 17.489 12.201 4.803 1.00 25.00 C ATOM 0 HA PRO A 321 19.500 9.633 5.161 1.00 25.00 H new ATOM 0 HB2 PRO A 321 16.827 8.973 5.218 1.00 25.00 H new ATOM 0 HB3 PRO A 321 17.464 9.983 6.500 1.00 25.00 H new ATOM 0 HG2 PRO A 321 16.042 10.830 3.970 1.00 25.00 H new ATOM 0 HG3 PRO A 321 15.701 11.306 5.622 1.00 25.00 H new ATOM 0 HD2 PRO A 321 17.206 12.891 4.008 1.00 25.00 H new ATOM 0 HD3 PRO A 321 17.551 12.783 5.723 1.00 25.00 H new ATOM 431 N SER A 322 18.748 7.994 3.404 1.00 25.00 N ATOM 432 CA SER A 322 18.628 7.146 2.223 1.00 25.00 C ATOM 433 C SER A 322 17.154 7.012 1.863 1.00 25.00 C ATOM 434 O SER A 322 16.286 7.051 2.742 1.00 25.00 O ATOM 435 CB SER A 322 19.214 5.762 2.501 1.00 25.00 C ATOM 436 OG SER A 322 19.199 4.943 1.341 1.00 25.00 O ATOM 0 H SER A 322 18.995 7.496 4.259 1.00 25.00 H new ATOM 0 HA SER A 322 19.177 7.597 1.397 1.00 25.00 H new ATOM 0 HB2 SER A 322 20.238 5.866 2.860 1.00 25.00 H new ATOM 0 HB3 SER A 322 18.645 5.279 3.295 1.00 25.00 H new ATOM 0 HG SER A 322 19.582 4.067 1.554 1.00 25.00 H new