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+ 144:sc= 1.35 (180deg=0.3) 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+ -166:sc= -0.0205 (180deg=-0.214) USER MOD Single : A 308 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 312 LYS NZ :NH3+ -114:sc= 0.747 (180deg=-0.424) USER MOD Single : A 319 LYS NZ :NH3+ -143:sc= 1.74 (180deg=1.03) USER MOD Single : A 322 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N ARG A 300 17.748 -14.462 8.496 1.00 25.00 N ATOM 32 CA ARG A 300 17.596 -13.494 9.583 1.00 25.00 C ATOM 33 C ARG A 300 17.679 -12.083 9.005 1.00 25.00 C ATOM 34 O ARG A 300 18.730 -11.660 8.553 1.00 25.00 O ATOM 35 CB ARG A 300 18.695 -13.708 10.639 1.00 25.00 C ATOM 36 CG ARG A 300 18.527 -12.874 11.919 1.00 25.00 C ATOM 37 CD ARG A 300 17.388 -13.401 12.797 1.00 25.00 C ATOM 38 NE ARG A 300 17.276 -12.646 14.060 1.00 25.00 N ATOM 39 CZ ARG A 300 16.380 -12.876 15.016 1.00 25.00 C ATOM 40 NH1 ARG A 300 15.480 -13.827 14.923 1.00 25.00 N ATOM 41 NH2 ARG A 300 16.394 -12.139 16.091 1.00 25.00 N ATOM 0 HA ARG A 300 16.628 -13.631 10.066 1.00 25.00 H new ATOM 0 HB2 ARG A 300 18.719 -14.764 10.910 1.00 25.00 H new ATOM 0 HB3 ARG A 300 19.661 -13.472 10.192 1.00 25.00 H new ATOM 0 HG2 ARG A 300 19.458 -12.887 12.486 1.00 25.00 H new ATOM 0 HG3 ARG A 300 18.330 -11.836 11.653 1.00 25.00 H new ATOM 0 HD2 ARG A 300 16.447 -13.336 12.250 1.00 25.00 H new ATOM 0 HD3 ARG A 300 17.557 -14.455 13.017 1.00 25.00 H new ATOM 0 HE ARG A 300 17.939 -11.886 14.212 1.00 25.00 H new ATOM 0 HH11 ARG A 300 15.451 -14.422 14.095 1.00 25.00 H new ATOM 0 HH12 ARG A 300 14.810 -13.971 15.679 1.00 25.00 H new ATOM 0 HH21 ARG A 300 17.086 -11.397 16.191 1.00 25.00 H new ATOM 0 HH22 ARG A 300 15.713 -12.305 16.832 1.00 25.00 H new ATOM 55 N ARG A 301 16.563 -11.367 9.036 1.00 25.00 N ATOM 56 CA ARG A 301 16.481 -9.995 8.507 1.00 25.00 C ATOM 57 C ARG A 301 17.428 -9.038 9.223 1.00 25.00 C ATOM 58 O ARG A 301 17.944 -8.127 8.607 1.00 25.00 O ATOM 59 CB ARG A 301 15.029 -9.507 8.652 1.00 25.00 C ATOM 60 CG ARG A 301 14.754 -8.043 8.345 1.00 25.00 C ATOM 61 CD ARG A 301 15.095 -7.597 6.920 1.00 25.00 C ATOM 62 NE ARG A 301 14.761 -6.169 6.758 1.00 25.00 N ATOM 63 CZ ARG A 301 15.307 -5.330 5.886 1.00 25.00 C ATOM 64 NH1 ARG A 301 16.238 -5.691 5.039 1.00 25.00 N ATOM 65 NH2 ARG A 301 14.903 -4.095 5.885 1.00 25.00 N ATOM 0 H ARG A 301 15.686 -11.712 9.426 1.00 25.00 H new ATOM 0 HA ARG A 301 16.784 -10.010 7.460 1.00 25.00 H new ATOM 0 HB2 ARG A 301 14.402 -10.113 7.998 1.00 25.00 H new ATOM 0 HB3 ARG A 301 14.707 -9.704 9.674 1.00 25.00 H new ATOM 0 HG2 ARG A 301 13.698 -7.843 8.528 1.00 25.00 H new ATOM 0 HG3 ARG A 301 15.321 -7.429 9.045 1.00 25.00 H new ATOM 0 HD2 ARG A 301 16.154 -7.758 6.721 1.00 25.00 H new ATOM 0 HD3 ARG A 301 14.540 -8.195 6.198 1.00 25.00 H new ATOM 0 HE ARG A 301 14.042 -5.790 7.375 1.00 25.00 H new ATOM 0 HH11 ARG A 301 16.574 -6.654 5.031 1.00 25.00 H new ATOM 0 HH12 ARG A 301 16.627 -5.009 4.388 1.00 25.00 H new ATOM 0 HH21 ARG A 301 14.184 -3.793 6.543 1.00 25.00 H new ATOM 0 HH22 ARG A 301 15.304 -3.428 5.226 1.00 25.00 H new ATOM 79 N LYS A 302 17.618 -9.275 10.523 1.00 25.00 N ATOM 80 CA LYS A 302 18.475 -8.486 11.440 1.00 25.00 C ATOM 81 C LYS A 302 18.139 -6.993 11.568 1.00 25.00 C ATOM 82 O LYS A 302 18.851 -6.269 12.271 1.00 25.00 O ATOM 83 CB LYS A 302 19.979 -8.692 11.144 1.00 25.00 C ATOM 84 CG LYS A 302 20.559 -7.845 10.001 1.00 25.00 C ATOM 85 CD LYS A 302 21.812 -7.130 10.417 1.00 25.00 C ATOM 86 CE LYS A 302 22.286 -6.222 9.285 1.00 25.00 C ATOM 87 NZ LYS A 302 23.536 -5.477 9.639 1.00 25.00 N ATOM 0 H LYS A 302 17.162 -10.055 10.996 1.00 25.00 H new ATOM 0 HA LYS A 302 18.238 -8.900 12.420 1.00 25.00 H new ATOM 0 HB2 LYS A 302 20.541 -8.476 12.052 1.00 25.00 H new ATOM 0 HB3 LYS A 302 20.143 -9.744 10.910 1.00 25.00 H new ATOM 0 HG2 LYS A 302 20.773 -8.486 9.146 1.00 25.00 H new ATOM 0 HG3 LYS A 302 19.816 -7.117 9.675 1.00 25.00 H new ATOM 0 HD2 LYS A 302 21.625 -6.541 11.315 1.00 25.00 H new ATOM 0 HD3 LYS A 302 22.589 -7.853 10.666 1.00 25.00 H new ATOM 0 HE2 LYS A 302 22.463 -6.821 8.392 1.00 25.00 H new ATOM 0 HE3 LYS A 302 21.498 -5.510 9.040 1.00 25.00 H new ATOM 0 HZ1 LYS A 302 24.138 -5.388 8.795 1.00 25.00 H new ATOM 0 HZ2 LYS A 302 23.288 -4.530 9.989 1.00 25.00 H new ATOM 0 HZ3 LYS A 302 24.052 -5.996 10.378 1.00 25.00 H new ATOM 115 N GLY A 304 14.733 -4.188 12.553 1.00 25.00 N ATOM 116 CA GLY A 304 14.038 -3.925 13.807 1.00 25.00 C ATOM 117 C GLY A 304 14.658 -2.715 14.457 1.00 25.00 C ATOM 118 O GLY A 304 14.617 -1.611 13.916 1.00 25.00 O ATOM 0 HA2 GLY A 304 12.977 -3.753 13.623 1.00 25.00 H new ATOM 0 HA3 GLY A 304 14.111 -4.789 14.468 1.00 25.00 H new ATOM 122 N LYS A 305 15.271 -2.910 15.617 1.00 25.00 N ATOM 123 CA LYS A 305 15.961 -1.814 16.308 1.00 25.00 C ATOM 124 C LYS A 305 17.073 -1.289 15.400 1.00 25.00 C ATOM 125 O LYS A 305 17.363 -0.099 15.375 1.00 25.00 O ATOM 126 CB LYS A 305 16.558 -2.297 17.638 1.00 25.00 C ATOM 127 CG LYS A 305 15.505 -2.720 18.675 1.00 25.00 C ATOM 128 CD LYS A 305 16.134 -3.291 19.962 1.00 25.00 C ATOM 129 CE LYS A 305 16.811 -2.214 20.823 1.00 25.00 C ATOM 130 NZ LYS A 305 17.378 -2.800 22.098 1.00 25.00 N ATOM 0 H LYS A 305 15.308 -3.807 16.101 1.00 25.00 H new ATOM 0 HA LYS A 305 15.247 -1.021 16.528 1.00 25.00 H new ATOM 0 HB2 LYS A 305 17.221 -3.140 17.443 1.00 25.00 H new ATOM 0 HB3 LYS A 305 17.171 -1.501 18.061 1.00 25.00 H new ATOM 0 HG2 LYS A 305 14.885 -1.860 18.929 1.00 25.00 H new ATOM 0 HG3 LYS A 305 14.847 -3.469 18.234 1.00 25.00 H new ATOM 0 HD2 LYS A 305 15.361 -3.786 20.550 1.00 25.00 H new ATOM 0 HD3 LYS A 305 16.868 -4.051 19.696 1.00 25.00 H new ATOM 0 HE2 LYS A 305 17.610 -1.739 20.253 1.00 25.00 H new ATOM 0 HE3 LYS A 305 16.089 -1.436 21.069 1.00 25.00 H new ATOM 0 HZ1 LYS A 305 17.828 -2.047 22.656 1.00 25.00 H new ATOM 0 HZ2 LYS A 305 16.611 -3.231 22.653 1.00 25.00 H new ATOM 0 HZ3 LYS A 305 18.085 -3.525 21.862 1.00 25.00 H new ATOM 144 N TYR A 306 17.675 -2.201 14.651 1.00 25.00 N ATOM 145 CA TYR A 306 18.766 -1.867 13.745 1.00 25.00 C ATOM 146 C TYR A 306 18.324 -1.039 12.532 1.00 25.00 C ATOM 147 O TYR A 306 19.120 -0.292 11.991 1.00 25.00 O ATOM 148 CB TYR A 306 19.432 -3.158 13.270 1.00 25.00 C ATOM 149 CG TYR A 306 20.741 -2.928 12.552 1.00 25.00 C ATOM 150 CD1 TYR A 306 21.908 -2.580 13.267 1.00 25.00 C ATOM 151 CD2 TYR A 306 20.823 -3.042 11.153 1.00 25.00 C ATOM 152 CE1 TYR A 306 23.134 -2.341 12.586 1.00 25.00 C ATOM 153 CE2 TYR A 306 22.043 -2.803 10.477 1.00 25.00 C ATOM 154 CZ TYR A 306 23.181 -2.448 11.195 1.00 25.00 C ATOM 155 OH TYR A 306 24.349 -2.210 10.521 1.00 25.00 O ATOM 0 H TYR A 306 17.423 -3.189 14.653 1.00 25.00 H new ATOM 0 HA TYR A 306 19.466 -1.245 14.303 1.00 25.00 H new ATOM 0 HB2 TYR A 306 19.606 -3.806 14.129 1.00 25.00 H new ATOM 0 HB3 TYR A 306 18.749 -3.687 12.605 1.00 25.00 H new ATOM 0 HD1 TYR A 306 21.869 -2.494 14.343 1.00 25.00 H new ATOM 0 HD2 TYR A 306 19.944 -3.315 10.588 1.00 25.00 H new ATOM 0 HE1 TYR A 306 24.022 -2.079 13.141 1.00 25.00 H new ATOM 0 HE2 TYR A 306 22.091 -2.896 9.402 1.00 25.00 H new ATOM 0 HH TYR A 306 24.202 -2.331 9.560 1.00 25.00 H new ATOM 165 N LYS A 307 17.066 -1.148 12.111 1.00 25.00 N ATOM 166 CA LYS A 307 16.610 -0.401 10.925 1.00 25.00 C ATOM 167 C LYS A 307 16.800 1.093 11.120 1.00 25.00 C ATOM 168 O LYS A 307 17.196 1.816 10.223 1.00 25.00 O ATOM 169 CB LYS A 307 15.130 -0.666 10.625 1.00 25.00 C ATOM 170 CG LYS A 307 14.760 -0.340 9.167 1.00 25.00 C ATOM 171 CD LYS A 307 13.412 0.380 9.035 1.00 25.00 C ATOM 172 CE LYS A 307 12.204 -0.551 9.161 1.00 25.00 C ATOM 173 NZ LYS A 307 12.139 -1.562 8.053 1.00 25.00 N ATOM 0 H LYS A 307 16.355 -1.729 12.555 1.00 25.00 H new ATOM 0 HA LYS A 307 17.214 -0.747 10.086 1.00 25.00 H new ATOM 0 HB2 LYS A 307 14.902 -1.712 10.830 1.00 25.00 H new ATOM 0 HB3 LYS A 307 14.513 -0.068 11.296 1.00 25.00 H new ATOM 0 HG2 LYS A 307 15.542 0.282 8.730 1.00 25.00 H new ATOM 0 HG3 LYS A 307 14.729 -1.265 8.591 1.00 25.00 H new ATOM 0 HD2 LYS A 307 13.346 1.153 9.801 1.00 25.00 H new ATOM 0 HD3 LYS A 307 13.372 0.884 8.069 1.00 25.00 H new ATOM 0 HE2 LYS A 307 12.247 -1.069 10.119 1.00 25.00 H new ATOM 0 HE3 LYS A 307 11.290 0.043 9.161 1.00 25.00 H new ATOM 0 HZ1 LYS A 307 11.199 -2.006 8.043 1.00 25.00 H new ATOM 0 HZ2 LYS A 307 12.309 -1.090 7.142 1.00 25.00 H new ATOM 0 HZ3 LYS A 307 12.865 -2.291 8.206 1.00 25.00 H new ATOM 187 N LYS A 308 16.523 1.559 12.324 1.00 25.00 N ATOM 188 CA LYS A 308 16.639 2.983 12.624 1.00 25.00 C ATOM 189 C LYS A 308 18.095 3.424 12.701 1.00 25.00 C ATOM 190 O LYS A 308 18.388 4.595 12.527 1.00 25.00 O ATOM 191 CB LYS A 308 15.862 3.332 13.889 1.00 25.00 C ATOM 192 CG LYS A 308 14.364 3.081 13.705 1.00 25.00 C ATOM 193 CD LYS A 308 13.530 3.642 14.842 1.00 25.00 C ATOM 194 CE LYS A 308 12.047 3.376 14.571 1.00 25.00 C ATOM 195 NZ LYS A 308 11.151 4.014 15.597 1.00 25.00 N ATOM 0 H LYS A 308 16.218 0.981 13.108 1.00 25.00 H new ATOM 0 HA LYS A 308 16.191 3.541 11.801 1.00 25.00 H new ATOM 0 HB2 LYS A 308 16.233 2.737 14.723 1.00 25.00 H new ATOM 0 HB3 LYS A 308 16.029 4.378 14.145 1.00 25.00 H new ATOM 0 HG2 LYS A 308 14.038 3.528 12.766 1.00 25.00 H new ATOM 0 HG3 LYS A 308 14.187 2.008 13.625 1.00 25.00 H new ATOM 0 HD2 LYS A 308 13.826 3.182 15.785 1.00 25.00 H new ATOM 0 HD3 LYS A 308 13.706 4.713 14.941 1.00 25.00 H new ATOM 0 HE2 LYS A 308 11.788 3.754 13.582 1.00 25.00 H new ATOM 0 HE3 LYS A 308 11.871 2.300 14.558 1.00 25.00 H new ATOM 0 HZ1 LYS A 308 10.158 3.805 15.369 1.00 25.00 H new ATOM 0 HZ2 LYS A 308 11.377 3.635 16.539 1.00 25.00 H new ATOM 0 HZ3 LYS A 308 11.297 5.044 15.593 1.00 25.00 H new ATOM 209 N VAL A 309 19.000 2.491 12.949 1.00 25.00 N ATOM 210 CA VAL A 309 20.431 2.796 12.952 1.00 25.00 C ATOM 211 C VAL A 309 20.860 2.968 11.506 1.00 25.00 C ATOM 212 O VAL A 309 21.606 3.873 11.193 1.00 25.00 O ATOM 213 CB VAL A 309 21.256 1.675 13.659 1.00 25.00 C ATOM 214 CG1 VAL A 309 22.760 1.788 13.365 1.00 25.00 C ATOM 215 CG2 VAL A 309 21.027 1.771 15.154 1.00 25.00 C ATOM 0 H VAL A 309 18.775 1.517 13.151 1.00 25.00 H new ATOM 0 HA VAL A 309 20.619 3.710 13.516 1.00 25.00 H new ATOM 0 HB VAL A 309 20.919 0.713 13.274 1.00 25.00 H new ATOM 0 HG11 VAL A 309 23.292 0.987 13.878 1.00 25.00 H new ATOM 0 HG12 VAL A 309 22.928 1.705 12.291 1.00 25.00 H new ATOM 0 HG13 VAL A 309 23.128 2.752 13.717 1.00 25.00 H new ATOM 0 HG21 VAL A 309 21.598 0.993 15.660 1.00 25.00 H new ATOM 0 HG22 VAL A 309 21.352 2.749 15.510 1.00 25.00 H new ATOM 0 HG23 VAL A 309 19.966 1.640 15.369 1.00 25.00 H new ATOM 225 N GLU A 310 20.372 2.116 10.620 1.00 25.00 N ATOM 226 CA GLU A 310 20.710 2.239 9.203 1.00 25.00 C ATOM 227 C GLU A 310 20.218 3.592 8.687 1.00 25.00 C ATOM 228 O GLU A 310 20.971 4.328 8.073 1.00 25.00 O ATOM 229 CB GLU A 310 20.106 1.069 8.413 1.00 25.00 C ATOM 230 CG GLU A 310 20.742 -0.261 8.808 1.00 25.00 C ATOM 231 CD GLU A 310 20.031 -1.489 8.246 1.00 25.00 C ATOM 232 OE1 GLU A 310 18.842 -1.707 8.569 1.00 25.00 O ATOM 233 OE2 GLU A 310 20.682 -2.262 7.501 1.00 25.00 O ATOM 0 H GLU A 310 19.749 1.341 10.847 1.00 25.00 H new ATOM 0 HA GLU A 310 21.791 2.195 9.069 1.00 25.00 H new ATOM 0 HB2 GLU A 310 19.031 1.026 8.589 1.00 25.00 H new ATOM 0 HB3 GLU A 310 20.247 1.238 7.346 1.00 25.00 H new ATOM 0 HG2 GLU A 310 21.778 -0.269 8.470 1.00 25.00 H new ATOM 0 HG3 GLU A 310 20.761 -0.333 9.895 1.00 25.00 H new ATOM 240 N ILE A 311 18.967 3.924 8.977 1.00 25.00 N ATOM 241 CA ILE A 311 18.375 5.208 8.565 1.00 25.00 C ATOM 242 C ILE A 311 19.170 6.401 9.136 1.00 25.00 C ATOM 243 O ILE A 311 19.314 7.444 8.484 1.00 25.00 O ATOM 244 CB ILE A 311 16.871 5.263 9.023 1.00 25.00 C ATOM 245 CG1 ILE A 311 16.049 4.235 8.217 1.00 25.00 C ATOM 246 CG2 ILE A 311 16.253 6.674 8.840 1.00 25.00 C ATOM 247 CD1 ILE A 311 14.650 3.946 8.786 1.00 25.00 C ATOM 0 H ILE A 311 18.331 3.322 9.500 1.00 25.00 H new ATOM 0 HA ILE A 311 18.420 5.282 7.478 1.00 25.00 H new ATOM 0 HB ILE A 311 16.842 5.025 10.086 1.00 25.00 H new ATOM 0 HG12 ILE A 311 15.943 4.596 7.194 1.00 25.00 H new ATOM 0 HG13 ILE A 311 16.608 3.300 8.169 1.00 25.00 H new ATOM 0 HG21 ILE A 311 15.214 6.662 9.170 1.00 25.00 H new ATOM 0 HG22 ILE A 311 16.814 7.396 9.433 1.00 25.00 H new ATOM 0 HG23 ILE A 311 16.296 6.957 7.788 1.00 25.00 H new ATOM 0 HD11 ILE A 311 14.145 3.213 8.156 1.00 25.00 H new ATOM 0 HD12 ILE A 311 14.743 3.552 9.798 1.00 25.00 H new ATOM 0 HD13 ILE A 311 14.069 4.868 8.808 1.00 25.00 H new ATOM 259 N LYS A 312 19.702 6.253 10.343 1.00 25.00 N ATOM 260 CA LYS A 312 20.503 7.318 10.955 1.00 25.00 C ATOM 261 C LYS A 312 21.877 7.439 10.325 1.00 25.00 C ATOM 262 O LYS A 312 22.248 8.496 9.835 1.00 25.00 O ATOM 263 CB LYS A 312 20.739 7.041 12.436 1.00 25.00 C ATOM 264 CG LYS A 312 19.656 7.539 13.369 1.00 25.00 C ATOM 265 CD LYS A 312 19.943 7.123 14.822 1.00 25.00 C ATOM 266 CE LYS A 312 21.204 7.805 15.394 1.00 25.00 C ATOM 267 NZ LYS A 312 22.442 6.945 15.288 1.00 25.00 N ATOM 0 H LYS A 312 19.598 5.416 10.917 1.00 25.00 H new ATOM 0 HA LYS A 312 19.933 8.235 10.802 1.00 25.00 H new ATOM 0 HB2 LYS A 312 20.848 5.965 12.574 1.00 25.00 H new ATOM 0 HB3 LYS A 312 21.685 7.498 12.728 1.00 25.00 H new ATOM 0 HG2 LYS A 312 19.588 8.625 13.305 1.00 25.00 H new ATOM 0 HG3 LYS A 312 18.691 7.140 13.057 1.00 25.00 H new ATOM 0 HD2 LYS A 312 19.084 7.374 15.445 1.00 25.00 H new ATOM 0 HD3 LYS A 312 20.066 6.041 14.869 1.00 25.00 H new ATOM 0 HE2 LYS A 312 21.374 8.743 14.865 1.00 25.00 H new ATOM 0 HE3 LYS A 312 21.031 8.056 16.441 1.00 25.00 H new ATOM 0 HZ1 LYS A 312 22.766 6.684 16.241 1.00 25.00 H new ATOM 0 HZ2 LYS A 312 22.221 6.083 14.750 1.00 25.00 H new ATOM 0 HZ3 LYS A 312 23.192 7.475 14.800 1.00 25.00 H new ATOM 281 N GLU A 313 22.642 6.362 10.379 1.00 25.00 N ATOM 282 CA GLU A 313 24.033 6.381 9.935 1.00 25.00 C ATOM 283 C GLU A 313 24.243 6.503 8.421 1.00 25.00 C ATOM 284 O GLU A 313 25.240 7.081 7.996 1.00 25.00 O ATOM 285 CB GLU A 313 24.752 5.149 10.487 1.00 25.00 C ATOM 286 CG GLU A 313 25.389 5.395 11.871 1.00 25.00 C ATOM 287 CD GLU A 313 24.396 5.904 12.928 1.00 25.00 C ATOM 288 OE1 GLU A 313 23.457 5.170 13.308 1.00 25.00 O ATOM 289 OE2 GLU A 313 24.559 7.053 13.396 1.00 25.00 O ATOM 0 H GLU A 313 22.325 5.457 10.727 1.00 25.00 H new ATOM 0 HA GLU A 313 24.462 7.299 10.336 1.00 25.00 H new ATOM 0 HB2 GLU A 313 24.044 4.324 10.560 1.00 25.00 H new ATOM 0 HB3 GLU A 313 25.527 4.842 9.785 1.00 25.00 H new ATOM 0 HG2 GLU A 313 25.838 4.467 12.224 1.00 25.00 H new ATOM 0 HG3 GLU A 313 26.197 6.119 11.766 1.00 25.00 H new ATOM 296 N LEU A 314 23.328 5.999 7.599 1.00 25.00 N ATOM 297 CA LEU A 314 23.452 6.180 6.142 1.00 25.00 C ATOM 298 C LEU A 314 22.906 7.568 5.797 1.00 25.00 C ATOM 299 O LEU A 314 23.120 8.094 4.696 1.00 25.00 O ATOM 300 CB LEU A 314 22.709 5.089 5.352 1.00 25.00 C ATOM 301 CG LEU A 314 23.407 3.737 5.091 1.00 25.00 C ATOM 302 CD1 LEU A 314 24.654 3.926 4.214 1.00 25.00 C ATOM 303 CD2 LEU A 314 23.796 2.999 6.378 1.00 25.00 C ATOM 0 H LEU A 314 22.508 5.473 7.899 1.00 25.00 H new ATOM 0 HA LEU A 314 24.501 6.095 5.858 1.00 25.00 H new ATOM 0 HB2 LEU A 314 21.778 4.880 5.878 1.00 25.00 H new ATOM 0 HB3 LEU A 314 22.440 5.511 4.384 1.00 25.00 H new ATOM 0 HG LEU A 314 22.676 3.120 4.569 1.00 25.00 H new ATOM 0 HD11 LEU A 314 25.129 2.960 4.044 1.00 25.00 H new ATOM 0 HD12 LEU A 314 24.364 4.361 3.258 1.00 25.00 H new ATOM 0 HD13 LEU A 314 25.355 4.591 4.717 1.00 25.00 H new ATOM 0 HD21 LEU A 314 24.282 2.057 6.124 1.00 25.00 H new ATOM 0 HD22 LEU A 314 24.482 3.616 6.958 1.00 25.00 H new ATOM 0 HD23 LEU A 314 22.901 2.799 6.967 1.00 25.00 H new ATOM 315 N GLY A 315 22.231 8.169 6.768 1.00 25.00 N ATOM 316 CA GLY A 315 21.788 9.547 6.662 1.00 25.00 C ATOM 317 C GLY A 315 20.501 9.820 5.920 1.00 25.00 C ATOM 318 O GLY A 315 20.338 10.926 5.425 1.00 25.00 O ATOM 0 H GLY A 315 21.978 7.715 7.646 1.00 25.00 H new ATOM 0 HA2 GLY A 315 21.682 9.943 7.672 1.00 25.00 H new ATOM 0 HA3 GLY A 315 22.581 10.117 6.178 1.00 25.00 H new ATOM 322 N GLU A 316 19.582 8.869 5.834 1.00 25.00 N ATOM 323 CA GLU A 316 18.318 9.078 5.101 1.00 25.00 C ATOM 324 C GLU A 316 17.562 10.268 5.673 1.00 25.00 C ATOM 325 O GLU A 316 16.846 10.970 4.967 1.00 25.00 O ATOM 326 CB GLU A 316 17.440 7.828 5.175 1.00 25.00 C ATOM 327 CG GLU A 316 17.777 6.788 4.122 1.00 25.00 C ATOM 328 CD GLU A 316 19.212 6.334 4.223 1.00 25.00 C ATOM 329 OE1 GLU A 316 19.622 5.928 5.322 1.00 25.00 O ATOM 330 OE2 GLU A 316 19.944 6.407 3.209 1.00 25.00 O ATOM 0 H GLU A 316 19.677 7.946 6.257 1.00 25.00 H new ATOM 0 HA GLU A 316 18.561 9.278 4.058 1.00 25.00 H new ATOM 0 HB2 GLU A 316 17.543 7.380 6.163 1.00 25.00 H new ATOM 0 HB3 GLU A 316 16.396 8.120 5.065 1.00 25.00 H new ATOM 0 HG2 GLU A 316 17.115 5.929 4.234 1.00 25.00 H new ATOM 0 HG3 GLU A 316 17.596 7.203 3.130 1.00 25.00 H new ATOM 337 N LEU A 317 17.757 10.507 6.961 1.00 25.00 N ATOM 338 CA LEU A 317 17.139 11.638 7.650 1.00 25.00 C ATOM 339 C LEU A 317 17.528 12.986 7.027 1.00 25.00 C ATOM 340 O LEU A 317 16.767 13.943 7.093 1.00 25.00 O ATOM 341 CB LEU A 317 17.566 11.631 9.120 1.00 25.00 C ATOM 342 CG LEU A 317 17.252 10.379 9.923 1.00 25.00 C ATOM 343 CD1 LEU A 317 18.055 10.495 11.183 1.00 25.00 C ATOM 344 CD2 LEU A 317 15.769 10.294 10.217 1.00 25.00 C ATOM 0 H LEU A 317 18.345 9.927 7.559 1.00 25.00 H new ATOM 0 HA LEU A 317 16.059 11.525 7.556 1.00 25.00 H new ATOM 0 HB2 LEU A 317 18.642 11.799 9.161 1.00 25.00 H new ATOM 0 HB3 LEU A 317 17.092 12.479 9.615 1.00 25.00 H new ATOM 0 HG LEU A 317 17.507 9.470 9.378 1.00 25.00 H new ATOM 0 HD11 LEU A 317 17.875 9.622 11.811 1.00 25.00 H new ATOM 0 HD12 LEU A 317 19.115 10.552 10.935 1.00 25.00 H new ATOM 0 HD13 LEU A 317 17.760 11.396 11.721 1.00 25.00 H new ATOM 0 HD21 LEU A 317 15.563 9.391 10.792 1.00 25.00 H new ATOM 0 HD22 LEU A 317 15.461 11.168 10.791 1.00 25.00 H new ATOM 0 HD23 LEU A 317 15.214 10.261 9.280 1.00 25.00 H new ATOM 356 N ARG A 318 18.721 13.055 6.443 1.00 25.00 N ATOM 357 CA ARG A 318 19.210 14.276 5.783 1.00 25.00 C ATOM 358 C ARG A 318 19.323 14.104 4.261 1.00 25.00 C ATOM 359 O ARG A 318 20.014 14.883 3.590 1.00 25.00 O ATOM 360 CB ARG A 318 20.542 14.726 6.402 1.00 25.00 C ATOM 361 CG ARG A 318 21.731 13.785 6.144 1.00 25.00 C ATOM 362 CD ARG A 318 22.969 14.556 5.712 1.00 25.00 C ATOM 363 NE ARG A 318 22.731 15.215 4.416 1.00 25.00 N ATOM 364 CZ ARG A 318 23.607 15.947 3.744 1.00 25.00 C ATOM 365 NH1 ARG A 318 24.826 16.160 4.177 1.00 25.00 N ATOM 366 NH2 ARG A 318 23.239 16.475 2.612 1.00 25.00 N ATOM 0 H ARG A 318 19.377 12.275 6.410 1.00 25.00 H new ATOM 0 HA ARG A 318 18.473 15.062 5.952 1.00 25.00 H new ATOM 0 HB2 ARG A 318 20.790 15.714 6.014 1.00 25.00 H new ATOM 0 HB3 ARG A 318 20.408 14.830 7.479 1.00 25.00 H new ATOM 0 HG2 ARG A 318 21.951 13.219 7.049 1.00 25.00 H new ATOM 0 HG3 ARG A 318 21.464 13.062 5.373 1.00 25.00 H new ATOM 0 HD2 ARG A 318 23.224 15.301 6.466 1.00 25.00 H new ATOM 0 HD3 ARG A 318 23.819 13.879 5.633 1.00 25.00 H new ATOM 0 HE ARG A 318 21.808 15.097 3.998 1.00 25.00 H new ATOM 0 HH11 ARG A 318 25.131 15.756 5.062 1.00 25.00 H new ATOM 0 HH12 ARG A 318 25.470 16.730 3.628 1.00 25.00 H new ATOM 0 HH21 ARG A 318 22.294 16.321 2.261 1.00 25.00 H new ATOM 0 HH22 ARG A 318 23.896 17.043 2.077 1.00 25.00 H new ATOM 380 N LYS A 319 18.667 13.082 3.730 1.00 25.00 N ATOM 381 CA LYS A 319 18.678 12.789 2.289 1.00 25.00 C ATOM 382 C LYS A 319 17.214 12.702 1.868 1.00 25.00 C ATOM 383 O LYS A 319 16.530 13.713 1.797 1.00 25.00 O ATOM 384 CB LYS A 319 19.422 11.466 1.999 1.00 25.00 C ATOM 385 CG LYS A 319 20.940 11.529 2.193 1.00 25.00 C ATOM 386 CD LYS A 319 21.529 10.149 2.542 1.00 25.00 C ATOM 387 CE LYS A 319 21.499 9.144 1.404 1.00 25.00 C ATOM 388 NZ LYS A 319 21.962 7.809 1.928 1.00 25.00 N ATOM 0 H LYS A 319 18.110 12.428 4.279 1.00 25.00 H new ATOM 0 HA LYS A 319 19.204 13.563 1.730 1.00 25.00 H new ATOM 0 HB2 LYS A 319 19.019 10.689 2.648 1.00 25.00 H new ATOM 0 HB3 LYS A 319 19.213 11.165 0.972 1.00 25.00 H new ATOM 0 HG2 LYS A 319 21.408 11.904 1.283 1.00 25.00 H new ATOM 0 HG3 LYS A 319 21.176 12.237 2.988 1.00 25.00 H new ATOM 0 HD2 LYS A 319 22.561 10.280 2.866 1.00 25.00 H new ATOM 0 HD3 LYS A 319 20.979 9.737 3.388 1.00 25.00 H new ATOM 0 HE2 LYS A 319 20.491 9.062 0.998 1.00 25.00 H new ATOM 0 HE3 LYS A 319 22.144 9.475 0.590 1.00 25.00 H new ATOM 0 HZ1 LYS A 319 22.528 7.328 1.200 1.00 25.00 H new ATOM 0 HZ2 LYS A 319 22.542 7.952 2.779 1.00 25.00 H new ATOM 0 HZ3 LYS A 319 21.136 7.224 2.167 1.00 25.00 H new ATOM 402 N GLU A 320 16.745 11.492 1.619 1.00 25.00 N ATOM 403 CA GLU A 320 15.356 11.229 1.283 1.00 25.00 C ATOM 404 C GLU A 320 15.020 10.048 2.187 1.00 25.00 C ATOM 405 O GLU A 320 15.885 9.196 2.419 1.00 25.00 O ATOM 406 CB GLU A 320 15.206 10.870 -0.203 1.00 25.00 C ATOM 407 CG GLU A 320 15.499 12.048 -1.137 1.00 25.00 C ATOM 408 CD GLU A 320 15.328 11.695 -2.609 1.00 25.00 C ATOM 409 OE1 GLU A 320 16.085 10.836 -3.112 1.00 25.00 O ATOM 410 OE2 GLU A 320 14.439 12.284 -3.267 1.00 25.00 O ATOM 0 H GLU A 320 17.325 10.653 1.645 1.00 25.00 H new ATOM 0 HA GLU A 320 14.697 12.084 1.431 1.00 25.00 H new ATOM 0 HB2 GLU A 320 15.880 10.048 -0.442 1.00 25.00 H new ATOM 0 HB3 GLU A 320 14.192 10.514 -0.384 1.00 25.00 H new ATOM 0 HG2 GLU A 320 14.836 12.876 -0.888 1.00 25.00 H new ATOM 0 HG3 GLU A 320 16.519 12.394 -0.968 1.00 25.00 H new ATOM 417 N PRO A 321 13.792 9.986 2.730 1.00 25.00 N ATOM 418 CA PRO A 321 13.519 8.886 3.663 1.00 25.00 C ATOM 419 C PRO A 321 13.352 7.524 2.993 1.00 25.00 C ATOM 420 O PRO A 321 12.977 7.428 1.827 1.00 25.00 O ATOM 421 CB PRO A 321 12.210 9.325 4.322 1.00 25.00 C ATOM 422 CG PRO A 321 11.518 10.097 3.259 1.00 25.00 C ATOM 423 CD PRO A 321 12.621 10.871 2.579 1.00 25.00 C ATOM 0 HA PRO A 321 14.351 8.732 4.350 1.00 25.00 H new ATOM 0 HB2 PRO A 321 11.618 8.469 4.644 1.00 25.00 H new ATOM 0 HB3 PRO A 321 12.393 9.937 5.206 1.00 25.00 H new ATOM 0 HG2 PRO A 321 11.005 9.438 2.559 1.00 25.00 H new ATOM 0 HG3 PRO A 321 10.765 10.764 3.679 1.00 25.00 H new ATOM 0 HD2 PRO A 321 12.392 11.062 1.530 1.00 25.00 H new ATOM 0 HD3 PRO A 321 12.784 11.840 3.051 1.00 25.00 H new ATOM 431 N SER A 322 13.623 6.472 3.753 1.00 25.00 N ATOM 432 CA SER A 322 13.484 5.100 3.281 1.00 25.00 C ATOM 433 C SER A 322 13.142 4.257 4.503 1.00 25.00 C ATOM 434 O SER A 322 13.410 4.684 5.633 1.00 25.00 O ATOM 435 CB SER A 322 14.788 4.617 2.644 1.00 25.00 C ATOM 436 OG SER A 322 14.617 3.346 2.042 1.00 25.00 O ATOM 0 H SER A 322 13.947 6.546 4.718 1.00 25.00 H new ATOM 0 HA SER A 322 12.708 5.023 2.520 1.00 25.00 H new ATOM 0 HB2 SER A 322 15.120 5.336 1.895 1.00 25.00 H new ATOM 0 HB3 SER A 322 15.569 4.562 3.402 1.00 25.00 H new ATOM 0 HG SER A 322 15.463 3.058 1.640 1.00 25.00 H new