USER MOD reduce.3.24.130724 H: found=0, std=0, add=208, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 210 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 307 LYS NZ :NH3+ 156:sc= 0.297 (180deg=0) USER MOD Set 1.2: A 322 SER OG : rot 170:sc= 0.279 USER MOD Single : A 302 LYS NZ :NH3+ 169:sc= -0.016 (180deg=-0.142) USER MOD Single : A 305 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00704) USER MOD Single : A 306 TYR OH : rot 180:sc= 0 USER MOD Single : A 308 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 312 LYS NZ :NH3+ 174:sc= 0.985 (180deg=0.883) USER MOD Single : A 319 LYS NZ :NH3+ -162:sc= 1.49 (180deg=1.29) USER MOD ----------------------------------------------------------------- ATOM 31 N ARG A 300 17.178 -14.095 14.108 1.00 25.00 N ATOM 32 CA ARG A 300 16.809 -12.675 14.210 1.00 25.00 C ATOM 33 C ARG A 300 17.988 -11.873 13.670 1.00 25.00 C ATOM 34 O ARG A 300 19.125 -12.339 13.734 1.00 25.00 O ATOM 35 CB ARG A 300 16.523 -12.292 15.668 1.00 25.00 C ATOM 36 CG ARG A 300 15.195 -12.841 16.220 1.00 25.00 C ATOM 37 CD ARG A 300 13.983 -12.094 15.645 1.00 25.00 C ATOM 38 NE ARG A 300 12.717 -12.533 16.263 1.00 25.00 N ATOM 39 CZ ARG A 300 11.514 -12.039 15.977 1.00 25.00 C ATOM 40 NH1 ARG A 300 11.323 -11.089 15.103 1.00 25.00 N ATOM 41 NH2 ARG A 300 10.469 -12.518 16.598 1.00 25.00 N ATOM 0 HA ARG A 300 15.903 -12.470 13.640 1.00 25.00 H new ATOM 0 HB2 ARG A 300 17.340 -12.654 16.293 1.00 25.00 H new ATOM 0 HB3 ARG A 300 16.515 -11.205 15.751 1.00 25.00 H new ATOM 0 HG2 ARG A 300 15.114 -13.902 15.982 1.00 25.00 H new ATOM 0 HG3 ARG A 300 15.191 -12.757 17.307 1.00 25.00 H new ATOM 0 HD2 ARG A 300 14.110 -11.023 15.801 1.00 25.00 H new ATOM 0 HD3 ARG A 300 13.935 -12.255 14.568 1.00 25.00 H new ATOM 0 HE ARG A 300 12.767 -13.272 16.964 1.00 25.00 H new ATOM 0 HH11 ARG A 300 12.117 -10.690 14.602 1.00 25.00 H new ATOM 0 HH12 ARG A 300 10.380 -10.746 14.921 1.00 25.00 H new ATOM 0 HH21 ARG A 300 10.582 -13.259 17.290 1.00 25.00 H new ATOM 0 HH22 ARG A 300 9.540 -12.151 16.391 1.00 25.00 H new ATOM 55 N ARG A 301 17.723 -10.685 13.148 1.00 25.00 N ATOM 56 CA ARG A 301 18.753 -9.827 12.536 1.00 25.00 C ATOM 57 C ARG A 301 18.954 -8.558 13.373 1.00 25.00 C ATOM 58 O ARG A 301 19.549 -7.595 12.906 1.00 25.00 O ATOM 59 CB ARG A 301 18.335 -9.437 11.104 1.00 25.00 C ATOM 60 CG ARG A 301 18.590 -10.505 10.005 1.00 25.00 C ATOM 61 CD ARG A 301 17.705 -11.766 10.086 1.00 25.00 C ATOM 62 NE ARG A 301 16.281 -11.449 10.281 1.00 25.00 N ATOM 63 CZ ARG A 301 15.252 -12.163 9.851 1.00 25.00 C ATOM 64 NH1 ARG A 301 15.389 -13.262 9.149 1.00 25.00 N ATOM 65 NH2 ARG A 301 14.054 -11.747 10.140 1.00 25.00 N ATOM 0 H ARG A 301 16.788 -10.278 13.132 1.00 25.00 H new ATOM 0 HA ARG A 301 19.690 -10.383 12.500 1.00 25.00 H new ATOM 0 HB2 ARG A 301 17.272 -9.197 11.110 1.00 25.00 H new ATOM 0 HB3 ARG A 301 18.866 -8.526 10.827 1.00 25.00 H new ATOM 0 HG2 ARG A 301 18.442 -10.040 9.030 1.00 25.00 H new ATOM 0 HG3 ARG A 301 19.635 -10.812 10.056 1.00 25.00 H new ATOM 0 HD2 ARG A 301 17.822 -12.346 9.171 1.00 25.00 H new ATOM 0 HD3 ARG A 301 18.049 -12.394 10.908 1.00 25.00 H new ATOM 0 HE ARG A 301 16.066 -10.596 10.798 1.00 25.00 H new ATOM 0 HH11 ARG A 301 16.321 -13.602 8.911 1.00 25.00 H new ATOM 0 HH12 ARG A 301 14.564 -13.777 8.841 1.00 25.00 H new ATOM 0 HH21 ARG A 301 13.928 -10.893 10.683 1.00 25.00 H new ATOM 0 HH22 ARG A 301 13.241 -12.275 9.823 1.00 25.00 H new ATOM 79 N LYS A 302 18.439 -8.583 14.603 1.00 25.00 N ATOM 80 CA LYS A 302 18.502 -7.450 15.566 1.00 25.00 C ATOM 81 C LYS A 302 17.620 -6.319 15.034 1.00 25.00 C ATOM 82 O LYS A 302 17.823 -5.132 15.343 1.00 25.00 O ATOM 83 CB LYS A 302 19.944 -6.941 15.813 1.00 25.00 C ATOM 84 CG LYS A 302 21.007 -8.027 16.066 1.00 25.00 C ATOM 85 CD LYS A 302 20.789 -8.794 17.370 1.00 25.00 C ATOM 86 CE LYS A 302 21.864 -9.873 17.555 1.00 25.00 C ATOM 87 NZ LYS A 302 23.254 -9.291 17.653 1.00 25.00 N ATOM 0 H LYS A 302 17.955 -9.399 14.978 1.00 25.00 H new ATOM 0 HA LYS A 302 18.141 -7.804 16.532 1.00 25.00 H new ATOM 0 HB2 LYS A 302 20.253 -6.351 14.950 1.00 25.00 H new ATOM 0 HB3 LYS A 302 19.929 -6.268 16.670 1.00 25.00 H new ATOM 0 HG2 LYS A 302 21.003 -8.731 15.234 1.00 25.00 H new ATOM 0 HG3 LYS A 302 21.993 -7.563 16.086 1.00 25.00 H new ATOM 0 HD2 LYS A 302 20.813 -8.102 18.212 1.00 25.00 H new ATOM 0 HD3 LYS A 302 19.802 -9.255 17.365 1.00 25.00 H new ATOM 0 HE2 LYS A 302 21.649 -10.446 18.457 1.00 25.00 H new ATOM 0 HE3 LYS A 302 21.823 -10.570 16.718 1.00 25.00 H new ATOM 0 HZ1 LYS A 302 23.919 -10.029 17.961 1.00 25.00 H new ATOM 0 HZ2 LYS A 302 23.545 -8.929 16.722 1.00 25.00 H new ATOM 0 HZ3 LYS A 302 23.257 -8.513 18.343 1.00 25.00 H new ATOM 115 N GLY A 304 14.677 -3.800 13.265 1.00 25.00 N ATOM 116 CA GLY A 304 13.821 -2.746 13.802 1.00 25.00 C ATOM 117 C GLY A 304 14.635 -1.793 14.646 1.00 25.00 C ATOM 118 O GLY A 304 14.769 -0.622 14.305 1.00 25.00 O ATOM 0 HA2 GLY A 304 13.344 -2.204 12.986 1.00 25.00 H new ATOM 0 HA3 GLY A 304 13.024 -3.185 14.402 1.00 25.00 H new ATOM 122 N LYS A 305 15.208 -2.289 15.736 1.00 25.00 N ATOM 123 CA LYS A 305 16.065 -1.456 16.581 1.00 25.00 C ATOM 124 C LYS A 305 17.286 -1.097 15.758 1.00 25.00 C ATOM 125 O LYS A 305 17.659 0.068 15.671 1.00 25.00 O ATOM 126 CB LYS A 305 16.473 -2.182 17.869 1.00 25.00 C ATOM 127 CG LYS A 305 17.298 -1.300 18.815 1.00 25.00 C ATOM 128 CD LYS A 305 17.707 -2.056 20.078 1.00 25.00 C ATOM 129 CE LYS A 305 18.592 -1.195 20.994 1.00 25.00 C ATOM 130 NZ LYS A 305 17.859 -0.007 21.567 1.00 25.00 N ATOM 0 H LYS A 305 15.099 -3.251 16.056 1.00 25.00 H new ATOM 0 HA LYS A 305 15.525 -0.562 16.892 1.00 25.00 H new ATOM 0 HB2 LYS A 305 15.577 -2.523 18.387 1.00 25.00 H new ATOM 0 HB3 LYS A 305 17.050 -3.070 17.612 1.00 25.00 H new ATOM 0 HG2 LYS A 305 18.190 -0.946 18.298 1.00 25.00 H new ATOM 0 HG3 LYS A 305 16.718 -0.419 19.090 1.00 25.00 H new ATOM 0 HD2 LYS A 305 16.815 -2.367 20.621 1.00 25.00 H new ATOM 0 HD3 LYS A 305 18.244 -2.963 19.801 1.00 25.00 H new ATOM 0 HE2 LYS A 305 18.970 -1.811 21.810 1.00 25.00 H new ATOM 0 HE3 LYS A 305 19.457 -0.845 20.431 1.00 25.00 H new ATOM 0 HZ1 LYS A 305 18.487 0.509 22.216 1.00 25.00 H new ATOM 0 HZ2 LYS A 305 17.564 0.625 20.795 1.00 25.00 H new ATOM 0 HZ3 LYS A 305 17.019 -0.334 22.086 1.00 25.00 H new ATOM 144 N TYR A 306 17.901 -2.093 15.137 1.00 25.00 N ATOM 145 CA TYR A 306 19.034 -1.819 14.268 1.00 25.00 C ATOM 146 C TYR A 306 18.563 -1.165 12.981 1.00 25.00 C ATOM 147 O TYR A 306 19.211 -0.268 12.490 1.00 25.00 O ATOM 148 CB TYR A 306 19.813 -3.084 13.915 1.00 25.00 C ATOM 149 CG TYR A 306 20.965 -2.778 12.983 1.00 25.00 C ATOM 150 CD1 TYR A 306 22.141 -2.164 13.466 1.00 25.00 C ATOM 151 CD2 TYR A 306 20.879 -3.074 11.605 1.00 25.00 C ATOM 152 CE1 TYR A 306 23.209 -1.847 12.584 1.00 25.00 C ATOM 153 CE2 TYR A 306 21.944 -2.755 10.726 1.00 25.00 C ATOM 154 CZ TYR A 306 23.095 -2.141 11.222 1.00 25.00 C ATOM 155 OH TYR A 306 24.120 -1.821 10.370 1.00 25.00 O ATOM 0 H TYR A 306 17.642 -3.076 15.216 1.00 25.00 H new ATOM 0 HA TYR A 306 19.696 -1.149 14.817 1.00 25.00 H new ATOM 0 HB2 TYR A 306 20.193 -3.546 14.826 1.00 25.00 H new ATOM 0 HB3 TYR A 306 19.145 -3.806 13.446 1.00 25.00 H new ATOM 0 HD1 TYR A 306 22.230 -1.933 14.517 1.00 25.00 H new ATOM 0 HD2 TYR A 306 19.991 -3.549 11.216 1.00 25.00 H new ATOM 0 HE1 TYR A 306 24.106 -1.381 12.964 1.00 25.00 H new ATOM 0 HE2 TYR A 306 21.865 -2.987 9.674 1.00 25.00 H new ATOM 0 HH TYR A 306 23.884 -2.092 9.458 1.00 25.00 H new ATOM 165 N LYS A 307 17.432 -1.597 12.434 1.00 25.00 N ATOM 166 CA LYS A 307 16.977 -1.036 11.154 1.00 25.00 C ATOM 167 C LYS A 307 16.775 0.479 11.211 1.00 25.00 C ATOM 168 O LYS A 307 17.104 1.188 10.278 1.00 25.00 O ATOM 169 CB LYS A 307 15.709 -1.713 10.628 1.00 25.00 C ATOM 170 CG LYS A 307 15.438 -1.309 9.176 1.00 25.00 C ATOM 171 CD LYS A 307 14.320 -2.089 8.525 1.00 25.00 C ATOM 172 CE LYS A 307 14.170 -1.615 7.082 1.00 25.00 C ATOM 173 NZ LYS A 307 13.072 -2.319 6.353 1.00 25.00 N ATOM 0 H LYS A 307 16.825 -2.311 12.836 1.00 25.00 H new ATOM 0 HA LYS A 307 17.785 -1.243 10.453 1.00 25.00 H new ATOM 0 HB2 LYS A 307 15.815 -2.796 10.695 1.00 25.00 H new ATOM 0 HB3 LYS A 307 14.859 -1.437 11.252 1.00 25.00 H new ATOM 0 HG2 LYS A 307 15.194 -0.247 9.143 1.00 25.00 H new ATOM 0 HG3 LYS A 307 16.350 -1.445 8.595 1.00 25.00 H new ATOM 0 HD2 LYS A 307 14.539 -3.157 8.552 1.00 25.00 H new ATOM 0 HD3 LYS A 307 13.388 -1.941 9.070 1.00 25.00 H new ATOM 0 HE2 LYS A 307 13.975 -0.543 7.075 1.00 25.00 H new ATOM 0 HE3 LYS A 307 15.110 -1.772 6.553 1.00 25.00 H new ATOM 0 HZ1 LYS A 307 12.740 -1.724 5.567 1.00 25.00 H new ATOM 0 HZ2 LYS A 307 13.427 -3.221 5.977 1.00 25.00 H new ATOM 0 HZ3 LYS A 307 12.284 -2.502 7.006 1.00 25.00 H new ATOM 187 N LYS A 308 16.244 0.993 12.307 1.00 25.00 N ATOM 188 CA LYS A 308 16.051 2.443 12.406 1.00 25.00 C ATOM 189 C LYS A 308 17.374 3.172 12.654 1.00 25.00 C ATOM 190 O LYS A 308 17.500 4.350 12.343 1.00 25.00 O ATOM 191 CB LYS A 308 14.974 2.773 13.433 1.00 25.00 C ATOM 192 CG LYS A 308 13.604 2.311 12.923 1.00 25.00 C ATOM 193 CD LYS A 308 12.447 2.751 13.792 1.00 25.00 C ATOM 194 CE LYS A 308 11.139 2.236 13.178 1.00 25.00 C ATOM 195 NZ LYS A 308 9.921 2.697 13.928 1.00 25.00 N ATOM 0 H LYS A 308 15.945 0.455 13.120 1.00 25.00 H new ATOM 0 HA LYS A 308 15.690 2.813 11.447 1.00 25.00 H new ATOM 0 HB2 LYS A 308 15.202 2.285 14.381 1.00 25.00 H new ATOM 0 HB3 LYS A 308 14.958 3.846 13.623 1.00 25.00 H new ATOM 0 HG2 LYS A 308 13.454 2.695 11.914 1.00 25.00 H new ATOM 0 HG3 LYS A 308 13.601 1.223 12.854 1.00 25.00 H new ATOM 0 HD2 LYS A 308 12.567 2.363 14.804 1.00 25.00 H new ATOM 0 HD3 LYS A 308 12.425 3.838 13.868 1.00 25.00 H new ATOM 0 HE2 LYS A 308 11.072 2.573 12.143 1.00 25.00 H new ATOM 0 HE3 LYS A 308 11.157 1.146 13.158 1.00 25.00 H new ATOM 0 HZ1 LYS A 308 9.067 2.320 13.469 1.00 25.00 H new ATOM 0 HZ2 LYS A 308 9.967 2.355 14.909 1.00 25.00 H new ATOM 0 HZ3 LYS A 308 9.885 3.736 13.926 1.00 25.00 H new ATOM 209 N VAL A 309 18.364 2.466 13.178 1.00 25.00 N ATOM 210 CA VAL A 309 19.714 3.019 13.326 1.00 25.00 C ATOM 211 C VAL A 309 20.352 3.058 11.937 1.00 25.00 C ATOM 212 O VAL A 309 21.016 4.019 11.584 1.00 25.00 O ATOM 213 CB VAL A 309 20.568 2.164 14.328 1.00 25.00 C ATOM 214 CG1 VAL A 309 22.039 2.022 13.889 1.00 25.00 C ATOM 215 CG2 VAL A 309 20.510 2.798 15.703 1.00 25.00 C ATOM 0 H VAL A 309 18.264 1.507 13.510 1.00 25.00 H new ATOM 0 HA VAL A 309 19.668 4.025 13.743 1.00 25.00 H new ATOM 0 HB VAL A 309 20.140 1.162 14.346 1.00 25.00 H new ATOM 0 HG11 VAL A 309 22.580 1.421 14.620 1.00 25.00 H new ATOM 0 HG12 VAL A 309 22.083 1.535 12.915 1.00 25.00 H new ATOM 0 HG13 VAL A 309 22.495 3.009 13.821 1.00 25.00 H new ATOM 0 HG21 VAL A 309 21.102 2.207 16.402 1.00 25.00 H new ATOM 0 HG22 VAL A 309 20.911 3.810 15.654 1.00 25.00 H new ATOM 0 HG23 VAL A 309 19.475 2.834 16.044 1.00 25.00 H new ATOM 225 N GLU A 310 20.110 2.017 11.153 1.00 25.00 N ATOM 226 CA GLU A 310 20.641 1.867 9.795 1.00 25.00 C ATOM 227 C GLU A 310 20.259 3.054 8.906 1.00 25.00 C ATOM 228 O GLU A 310 21.027 3.463 8.032 1.00 25.00 O ATOM 229 CB GLU A 310 20.079 0.559 9.226 1.00 25.00 C ATOM 230 CG GLU A 310 20.741 0.017 7.993 1.00 25.00 C ATOM 231 CD GLU A 310 20.015 -1.229 7.494 1.00 25.00 C ATOM 232 OE1 GLU A 310 19.663 -2.097 8.332 1.00 25.00 O ATOM 233 OE2 GLU A 310 19.785 -1.341 6.274 1.00 25.00 O ATOM 0 H GLU A 310 19.527 1.233 11.445 1.00 25.00 H new ATOM 0 HA GLU A 310 21.730 1.840 9.823 1.00 25.00 H new ATOM 0 HB2 GLU A 310 20.136 -0.202 10.004 1.00 25.00 H new ATOM 0 HB3 GLU A 310 19.022 0.711 9.005 1.00 25.00 H new ATOM 0 HG2 GLU A 310 20.746 0.778 7.213 1.00 25.00 H new ATOM 0 HG3 GLU A 310 21.782 -0.225 8.209 1.00 25.00 H new ATOM 240 N ILE A 311 19.083 3.625 9.156 1.00 25.00 N ATOM 241 CA ILE A 311 18.618 4.805 8.417 1.00 25.00 C ATOM 242 C ILE A 311 19.638 5.935 8.564 1.00 25.00 C ATOM 243 O ILE A 311 19.962 6.638 7.603 1.00 25.00 O ATOM 244 CB ILE A 311 17.217 5.302 8.929 1.00 25.00 C ATOM 245 CG1 ILE A 311 16.148 4.209 8.733 1.00 25.00 C ATOM 246 CG2 ILE A 311 16.766 6.598 8.188 1.00 25.00 C ATOM 247 CD1 ILE A 311 14.800 4.515 9.407 1.00 25.00 C ATOM 0 H ILE A 311 18.431 3.292 9.866 1.00 25.00 H new ATOM 0 HA ILE A 311 18.513 4.521 7.370 1.00 25.00 H new ATOM 0 HB ILE A 311 17.322 5.524 9.991 1.00 25.00 H new ATOM 0 HG12 ILE A 311 15.983 4.066 7.665 1.00 25.00 H new ATOM 0 HG13 ILE A 311 16.532 3.267 9.125 1.00 25.00 H new ATOM 0 HG21 ILE A 311 15.794 6.914 8.566 1.00 25.00 H new ATOM 0 HG22 ILE A 311 17.497 7.388 8.360 1.00 25.00 H new ATOM 0 HG23 ILE A 311 16.692 6.399 7.119 1.00 25.00 H new ATOM 0 HD11 ILE A 311 14.106 3.696 9.220 1.00 25.00 H new ATOM 0 HD12 ILE A 311 14.948 4.628 10.481 1.00 25.00 H new ATOM 0 HD13 ILE A 311 14.390 5.439 8.998 1.00 25.00 H new ATOM 259 N LYS A 312 20.151 6.101 9.774 1.00 25.00 N ATOM 260 CA LYS A 312 21.133 7.144 10.062 1.00 25.00 C ATOM 261 C LYS A 312 22.537 6.687 9.685 1.00 25.00 C ATOM 262 O LYS A 312 23.316 7.467 9.161 1.00 25.00 O ATOM 263 CB LYS A 312 21.093 7.490 11.558 1.00 25.00 C ATOM 264 CG LYS A 312 21.921 8.728 11.946 1.00 25.00 C ATOM 265 CD LYS A 312 22.930 8.429 13.068 1.00 25.00 C ATOM 266 CE LYS A 312 24.132 7.632 12.552 1.00 25.00 C ATOM 267 NZ LYS A 312 25.102 7.277 13.635 1.00 25.00 N ATOM 0 H LYS A 312 19.904 5.525 10.579 1.00 25.00 H new ATOM 0 HA LYS A 312 20.884 8.025 9.470 1.00 25.00 H new ATOM 0 HB2 LYS A 312 20.057 7.654 11.853 1.00 25.00 H new ATOM 0 HB3 LYS A 312 21.455 6.633 12.127 1.00 25.00 H new ATOM 0 HG2 LYS A 312 22.455 9.095 11.069 1.00 25.00 H new ATOM 0 HG3 LYS A 312 21.250 9.525 12.267 1.00 25.00 H new ATOM 0 HD2 LYS A 312 23.275 9.366 13.506 1.00 25.00 H new ATOM 0 HD3 LYS A 312 22.436 7.869 13.862 1.00 25.00 H new ATOM 0 HE2 LYS A 312 23.778 6.719 12.074 1.00 25.00 H new ATOM 0 HE3 LYS A 312 24.646 8.214 11.787 1.00 25.00 H new ATOM 0 HZ1 LYS A 312 25.840 6.654 13.249 1.00 25.00 H new ATOM 0 HZ2 LYS A 312 25.540 8.144 14.007 1.00 25.00 H new ATOM 0 HZ3 LYS A 312 24.601 6.786 14.403 1.00 25.00 H new ATOM 281 N GLU A 313 22.855 5.436 9.979 1.00 25.00 N ATOM 282 CA GLU A 313 24.199 4.898 9.743 1.00 25.00 C ATOM 283 C GLU A 313 24.635 4.853 8.276 1.00 25.00 C ATOM 284 O GLU A 313 25.762 5.214 7.972 1.00 25.00 O ATOM 285 CB GLU A 313 24.308 3.502 10.365 1.00 25.00 C ATOM 286 CG GLU A 313 25.518 3.339 11.279 1.00 25.00 C ATOM 287 CD GLU A 313 25.519 4.349 12.423 1.00 25.00 C ATOM 288 OE1 GLU A 313 24.537 4.404 13.198 1.00 25.00 O ATOM 289 OE2 GLU A 313 26.501 5.114 12.546 1.00 25.00 O ATOM 0 H GLU A 313 22.201 4.766 10.384 1.00 25.00 H new ATOM 0 HA GLU A 313 24.883 5.599 10.221 1.00 25.00 H new ATOM 0 HB2 GLU A 313 23.402 3.294 10.934 1.00 25.00 H new ATOM 0 HB3 GLU A 313 24.361 2.760 9.568 1.00 25.00 H new ATOM 0 HG2 GLU A 313 25.528 2.329 11.689 1.00 25.00 H new ATOM 0 HG3 GLU A 313 26.431 3.455 10.694 1.00 25.00 H new ATOM 296 N LEU A 314 23.760 4.428 7.372 1.00 25.00 N ATOM 297 CA LEU A 314 24.128 4.402 5.945 1.00 25.00 C ATOM 298 C LEU A 314 23.864 5.772 5.334 1.00 25.00 C ATOM 299 O LEU A 314 24.411 6.133 4.303 1.00 25.00 O ATOM 300 CB LEU A 314 23.304 3.348 5.198 1.00 25.00 C ATOM 301 CG LEU A 314 23.474 1.886 5.653 1.00 25.00 C ATOM 302 CD1 LEU A 314 22.538 0.995 4.842 1.00 25.00 C ATOM 303 CD2 LEU A 314 24.918 1.400 5.488 1.00 25.00 C ATOM 0 H LEU A 314 22.816 4.104 7.583 1.00 25.00 H new ATOM 0 HA LEU A 314 25.185 4.150 5.858 1.00 25.00 H new ATOM 0 HB2 LEU A 314 22.250 3.612 5.289 1.00 25.00 H new ATOM 0 HB3 LEU A 314 23.557 3.406 4.139 1.00 25.00 H new ATOM 0 HG LEU A 314 23.226 1.832 6.713 1.00 25.00 H new ATOM 0 HD11 LEU A 314 22.655 -0.041 5.161 1.00 25.00 H new ATOM 0 HD12 LEU A 314 21.507 1.310 5.002 1.00 25.00 H new ATOM 0 HD13 LEU A 314 22.783 1.079 3.783 1.00 25.00 H new ATOM 0 HD21 LEU A 314 24.994 0.365 5.820 1.00 25.00 H new ATOM 0 HD22 LEU A 314 25.207 1.466 4.439 1.00 25.00 H new ATOM 0 HD23 LEU A 314 25.582 2.023 6.087 1.00 25.00 H new ATOM 315 N GLY A 315 23.008 6.519 6.015 1.00 25.00 N ATOM 316 CA GLY A 315 22.633 7.881 5.657 1.00 25.00 C ATOM 317 C GLY A 315 22.033 8.177 4.289 1.00 25.00 C ATOM 318 O GLY A 315 21.637 9.312 4.054 1.00 25.00 O ATOM 0 H GLY A 315 22.540 6.185 6.858 1.00 25.00 H new ATOM 0 HA2 GLY A 315 21.919 8.226 6.404 1.00 25.00 H new ATOM 0 HA3 GLY A 315 23.525 8.499 5.759 1.00 25.00 H new ATOM 322 N GLU A 316 21.884 7.194 3.413 1.00 25.00 N ATOM 323 CA GLU A 316 21.181 7.395 2.146 1.00 25.00 C ATOM 324 C GLU A 316 19.697 7.279 2.458 1.00 25.00 C ATOM 325 O GLU A 316 18.843 7.938 1.877 1.00 25.00 O ATOM 326 CB GLU A 316 21.615 6.336 1.131 1.00 25.00 C ATOM 327 CG GLU A 316 20.912 6.436 -0.214 1.00 25.00 C ATOM 328 CD GLU A 316 21.175 7.761 -0.936 1.00 25.00 C ATOM 329 OE1 GLU A 316 22.277 8.327 -0.795 1.00 25.00 O ATOM 330 OE2 GLU A 316 20.267 8.234 -1.657 1.00 25.00 O ATOM 0 H GLU A 316 22.239 6.248 3.553 1.00 25.00 H new ATOM 0 HA GLU A 316 21.408 8.367 1.708 1.00 25.00 H new ATOM 0 HB2 GLU A 316 22.690 6.419 0.973 1.00 25.00 H new ATOM 0 HB3 GLU A 316 21.430 5.348 1.552 1.00 25.00 H new ATOM 0 HG2 GLU A 316 21.238 5.613 -0.849 1.00 25.00 H new ATOM 0 HG3 GLU A 316 19.839 6.318 -0.065 1.00 25.00 H new ATOM 337 N LEU A 317 19.410 6.426 3.428 1.00 25.00 N ATOM 338 CA LEU A 317 18.051 6.180 3.886 1.00 25.00 C ATOM 339 C LEU A 317 17.468 7.433 4.539 1.00 25.00 C ATOM 340 O LEU A 317 16.269 7.561 4.691 1.00 25.00 O ATOM 341 CB LEU A 317 18.009 4.983 4.831 1.00 25.00 C ATOM 342 CG LEU A 317 17.990 3.595 4.201 1.00 25.00 C ATOM 343 CD1 LEU A 317 19.383 3.163 3.785 1.00 25.00 C ATOM 344 CD2 LEU A 317 17.438 2.667 5.257 1.00 25.00 C ATOM 0 H LEU A 317 20.117 5.882 3.923 1.00 25.00 H new ATOM 0 HA LEU A 317 17.431 5.939 3.022 1.00 25.00 H new ATOM 0 HB2 LEU A 317 18.876 5.043 5.490 1.00 25.00 H new ATOM 0 HB3 LEU A 317 17.124 5.080 5.459 1.00 25.00 H new ATOM 0 HG LEU A 317 17.380 3.583 3.297 1.00 25.00 H new ATOM 0 HD11 LEU A 317 19.338 2.169 3.339 1.00 25.00 H new ATOM 0 HD12 LEU A 317 19.781 3.870 3.057 1.00 25.00 H new ATOM 0 HD13 LEU A 317 20.033 3.139 4.660 1.00 25.00 H new ATOM 0 HD21 LEU A 317 17.399 1.651 4.864 1.00 25.00 H new ATOM 0 HD22 LEU A 317 18.082 2.692 6.136 1.00 25.00 H new ATOM 0 HD23 LEU A 317 16.434 2.988 5.534 1.00 25.00 H new ATOM 356 N ARG A 318 18.320 8.374 4.927 1.00 25.00 N ATOM 357 CA ARG A 318 17.834 9.655 5.448 1.00 25.00 C ATOM 358 C ARG A 318 17.009 10.366 4.376 1.00 25.00 C ATOM 359 O ARG A 318 16.099 11.125 4.697 1.00 25.00 O ATOM 360 CB ARG A 318 19.000 10.564 5.846 1.00 25.00 C ATOM 361 CG ARG A 318 19.752 10.139 7.109 1.00 25.00 C ATOM 362 CD ARG A 318 18.867 10.197 8.363 1.00 25.00 C ATOM 363 NE ARG A 318 18.243 11.521 8.538 1.00 25.00 N ATOM 364 CZ ARG A 318 18.820 12.583 9.091 1.00 25.00 C ATOM 365 NH1 ARG A 318 20.047 12.559 9.552 1.00 25.00 N ATOM 366 NH2 ARG A 318 18.146 13.697 9.168 1.00 25.00 N ATOM 0 H ARG A 318 19.335 8.282 4.894 1.00 25.00 H new ATOM 0 HA ARG A 318 17.223 9.451 6.328 1.00 25.00 H new ATOM 0 HB2 ARG A 318 19.707 10.606 5.018 1.00 25.00 H new ATOM 0 HB3 ARG A 318 18.619 11.575 5.991 1.00 25.00 H new ATOM 0 HG2 ARG A 318 20.129 9.125 6.980 1.00 25.00 H new ATOM 0 HG3 ARG A 318 20.618 10.786 7.248 1.00 25.00 H new ATOM 0 HD2 ARG A 318 18.090 9.436 8.293 1.00 25.00 H new ATOM 0 HD3 ARG A 318 19.467 9.960 9.242 1.00 25.00 H new ATOM 0 HE ARG A 318 17.285 11.632 8.206 1.00 25.00 H new ATOM 0 HH11 ARG A 318 20.597 11.702 9.494 1.00 25.00 H new ATOM 0 HH12 ARG A 318 20.452 13.397 9.969 1.00 25.00 H new ATOM 0 HH21 ARG A 318 17.193 13.742 8.807 1.00 25.00 H new ATOM 0 HH22 ARG A 318 18.572 14.523 9.589 1.00 25.00 H new ATOM 380 N LYS A 319 17.345 10.119 3.116 1.00 25.00 N ATOM 381 CA LYS A 319 16.648 10.701 1.973 1.00 25.00 C ATOM 382 C LYS A 319 15.451 9.825 1.581 1.00 25.00 C ATOM 383 O LYS A 319 14.367 10.331 1.321 1.00 25.00 O ATOM 384 CB LYS A 319 17.638 10.793 0.808 1.00 25.00 C ATOM 385 CG LYS A 319 17.142 11.554 -0.410 1.00 25.00 C ATOM 386 CD LYS A 319 17.910 11.110 -1.655 1.00 25.00 C ATOM 387 CE LYS A 319 17.338 9.792 -2.162 1.00 25.00 C ATOM 388 NZ LYS A 319 18.133 9.121 -3.225 1.00 25.00 N ATOM 0 H LYS A 319 18.116 9.504 2.855 1.00 25.00 H new ATOM 0 HA LYS A 319 16.273 11.693 2.227 1.00 25.00 H new ATOM 0 HB2 LYS A 319 18.551 11.269 1.166 1.00 25.00 H new ATOM 0 HB3 LYS A 319 17.905 9.782 0.500 1.00 25.00 H new ATOM 0 HG2 LYS A 319 16.075 11.378 -0.549 1.00 25.00 H new ATOM 0 HG3 LYS A 319 17.271 12.625 -0.256 1.00 25.00 H new ATOM 0 HD2 LYS A 319 17.838 11.872 -2.431 1.00 25.00 H new ATOM 0 HD3 LYS A 319 18.968 10.993 -1.420 1.00 25.00 H new ATOM 0 HE2 LYS A 319 17.240 9.109 -1.318 1.00 25.00 H new ATOM 0 HE3 LYS A 319 16.333 9.974 -2.543 1.00 25.00 H new ATOM 0 HZ1 LYS A 319 17.539 8.421 -3.713 1.00 25.00 H new ATOM 0 HZ2 LYS A 319 18.466 9.830 -3.909 1.00 25.00 H new ATOM 0 HZ3 LYS A 319 18.951 8.643 -2.797 1.00 25.00 H new ATOM 402 N GLU A 320 15.660 8.514 1.555 1.00 25.00 N ATOM 403 CA GLU A 320 14.599 7.541 1.232 1.00 25.00 C ATOM 404 C GLU A 320 14.505 6.497 2.360 1.00 25.00 C ATOM 405 O GLU A 320 15.188 5.471 2.330 1.00 25.00 O ATOM 406 CB GLU A 320 14.883 6.850 -0.109 1.00 25.00 C ATOM 407 CG GLU A 320 14.466 7.690 -1.315 1.00 25.00 C ATOM 408 CD GLU A 320 14.810 7.026 -2.651 1.00 25.00 C ATOM 409 OE1 GLU A 320 14.285 5.932 -2.933 1.00 25.00 O ATOM 410 OE2 GLU A 320 15.604 7.616 -3.426 1.00 25.00 O ATOM 0 H GLU A 320 16.564 8.087 1.755 1.00 25.00 H new ATOM 0 HA GLU A 320 13.649 8.069 1.144 1.00 25.00 H new ATOM 0 HB2 GLU A 320 15.948 6.628 -0.179 1.00 25.00 H new ATOM 0 HB3 GLU A 320 14.356 5.896 -0.138 1.00 25.00 H new ATOM 0 HG2 GLU A 320 13.392 7.872 -1.271 1.00 25.00 H new ATOM 0 HG3 GLU A 320 14.956 8.662 -1.261 1.00 25.00 H new ATOM 417 N PRO A 321 13.675 6.763 3.386 1.00 25.00 N ATOM 418 CA PRO A 321 13.632 5.839 4.528 1.00 25.00 C ATOM 419 C PRO A 321 12.886 4.530 4.298 1.00 25.00 C ATOM 420 O PRO A 321 12.109 4.379 3.360 1.00 25.00 O ATOM 421 CB PRO A 321 12.926 6.674 5.598 1.00 25.00 C ATOM 422 CG PRO A 321 11.991 7.516 4.822 1.00 25.00 C ATOM 423 CD PRO A 321 12.771 7.911 3.594 1.00 25.00 C ATOM 0 HA PRO A 321 14.636 5.495 4.777 1.00 25.00 H new ATOM 0 HB2 PRO A 321 12.398 6.044 6.314 1.00 25.00 H new ATOM 0 HB3 PRO A 321 13.633 7.279 6.166 1.00 25.00 H new ATOM 0 HG2 PRO A 321 11.087 6.967 4.559 1.00 25.00 H new ATOM 0 HG3 PRO A 321 11.678 8.391 5.392 1.00 25.00 H new ATOM 0 HD2 PRO A 321 12.118 8.070 2.736 1.00 25.00 H new ATOM 0 HD3 PRO A 321 13.325 8.837 3.749 1.00 25.00 H new ATOM 431 N SER A 322 13.124 3.587 5.198 1.00 25.00 N ATOM 432 CA SER A 322 12.480 2.280 5.171 1.00 25.00 C ATOM 433 C SER A 322 12.209 1.946 6.631 1.00 25.00 C ATOM 434 O SER A 322 12.921 2.433 7.509 1.00 25.00 O ATOM 435 CB SER A 322 13.401 1.242 4.525 1.00 25.00 C ATOM 436 OG SER A 322 12.740 -0.003 4.362 1.00 25.00 O ATOM 0 H SER A 322 13.775 3.708 5.974 1.00 25.00 H new ATOM 0 HA SER A 322 11.563 2.281 4.582 1.00 25.00 H new ATOM 0 HB2 SER A 322 13.739 1.606 3.555 1.00 25.00 H new ATOM 0 HB3 SER A 322 14.289 1.107 5.142 1.00 25.00 H new ATOM 0 HG SER A 322 13.289 -0.595 3.806 1.00 25.00 H new