USER MOD reduce.3.24.130724 H: found=0, std=0, add=225, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 227 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 Single : A 299 ASN :FLIP amide:sc= 0.462 F(o=-0.14,f=0.46) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 308 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 312 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 319 LYS NZ :NH3+ 167:sc= 0.917 (180deg=0.588) USER MOD Single : A 322 SER OG : rot 180:sc= 0.03 USER MOD ----------------------------------------------------------------- ATOM 17 N ASN A 299 14.833 -1.576 0.245 1.00 25.00 N ATOM 18 CA ASN A 299 14.755 -2.618 -0.790 1.00 25.00 C ATOM 19 C ASN A 299 15.168 -4.011 -0.327 1.00 25.00 C ATOM 20 O ASN A 299 14.560 -4.997 -0.717 1.00 25.00 O ATOM 21 CB ASN A 299 15.589 -2.211 -2.016 1.00 25.00 C ATOM 22 CG ASN A 299 15.032 -0.988 -2.724 1.00 25.00 C ATOM 23 OD1 ASN A 299 15.400 -0.804 -3.960 1.00 25.00 O flip ATOM 24 ND2 ASN A 299 14.283 -0.213 -2.142 1.00 25.00 N flip ATOM 0 HA ASN A 299 13.698 -2.691 -1.046 1.00 25.00 H new ATOM 0 HB2 ASN A 299 16.613 -2.009 -1.703 1.00 25.00 H new ATOM 0 HB3 ASN A 299 15.628 -3.045 -2.717 1.00 25.00 H new ATOM 0 HD21 ASN A 299 14.017 -0.391 -1.173 1.00 25.00 H new ATOM 0 HD22 ASN A 299 13.925 0.610 -2.626 1.00 25.00 H new ATOM 31 N ARG A 300 16.165 -4.084 0.543 1.00 25.00 N ATOM 32 CA ARG A 300 16.624 -5.375 1.082 1.00 25.00 C ATOM 33 C ARG A 300 15.481 -6.131 1.765 1.00 25.00 C ATOM 34 O ARG A 300 15.311 -7.327 1.560 1.00 25.00 O ATOM 35 CB ARG A 300 17.763 -5.166 2.096 1.00 25.00 C ATOM 36 CG ARG A 300 19.154 -4.890 1.486 1.00 25.00 C ATOM 37 CD ARG A 300 19.805 -6.169 0.930 1.00 25.00 C ATOM 38 NE ARG A 300 21.273 -6.037 0.825 1.00 25.00 N ATOM 39 CZ ARG A 300 21.954 -5.704 -0.270 1.00 25.00 C ATOM 40 NH1 ARG A 300 21.372 -5.453 -1.417 1.00 25.00 N ATOM 41 NH2 ARG A 300 23.255 -5.627 -0.207 1.00 25.00 N ATOM 0 H ARG A 300 16.675 -3.274 0.895 1.00 25.00 H new ATOM 0 HA ARG A 300 16.986 -5.966 0.241 1.00 25.00 H new ATOM 0 HB2 ARG A 300 17.499 -4.332 2.746 1.00 25.00 H new ATOM 0 HB3 ARG A 300 17.832 -6.052 2.727 1.00 25.00 H new ATOM 0 HG2 ARG A 300 19.060 -4.155 0.687 1.00 25.00 H new ATOM 0 HG3 ARG A 300 19.803 -4.454 2.246 1.00 25.00 H new ATOM 0 HD2 ARG A 300 19.561 -7.012 1.577 1.00 25.00 H new ATOM 0 HD3 ARG A 300 19.389 -6.391 -0.053 1.00 25.00 H new ATOM 0 HE ARG A 300 21.815 -6.218 1.670 1.00 25.00 H new ATOM 0 HH11 ARG A 300 20.357 -5.509 -1.497 1.00 25.00 H new ATOM 0 HH12 ARG A 300 21.934 -5.201 -2.230 1.00 25.00 H new ATOM 0 HH21 ARG A 300 23.735 -5.821 0.672 1.00 25.00 H new ATOM 0 HH22 ARG A 300 23.792 -5.373 -1.036 1.00 25.00 H new ATOM 55 N ARG A 301 14.681 -5.429 2.557 1.00 25.00 N ATOM 56 CA ARG A 301 13.563 -6.066 3.262 1.00 25.00 C ATOM 57 C ARG A 301 12.450 -6.450 2.296 1.00 25.00 C ATOM 58 O ARG A 301 11.832 -7.495 2.463 1.00 25.00 O ATOM 59 CB ARG A 301 13.007 -5.143 4.353 1.00 25.00 C ATOM 60 CG ARG A 301 13.941 -4.973 5.562 1.00 25.00 C ATOM 61 CD ARG A 301 13.401 -5.699 6.807 1.00 25.00 C ATOM 62 NE ARG A 301 13.473 -7.169 6.689 1.00 25.00 N ATOM 63 CZ ARG A 301 14.439 -7.941 7.186 1.00 25.00 C ATOM 64 NH1 ARG A 301 15.462 -7.455 7.845 1.00 25.00 N ATOM 65 NH2 ARG A 301 14.368 -9.232 7.016 1.00 25.00 N ATOM 0 H ARG A 301 14.779 -4.429 2.730 1.00 25.00 H new ATOM 0 HA ARG A 301 13.947 -6.973 3.729 1.00 25.00 H new ATOM 0 HB2 ARG A 301 12.808 -4.163 3.919 1.00 25.00 H new ATOM 0 HB3 ARG A 301 12.052 -5.539 4.697 1.00 25.00 H new ATOM 0 HG2 ARG A 301 14.929 -5.361 5.315 1.00 25.00 H new ATOM 0 HG3 ARG A 301 14.061 -3.912 5.783 1.00 25.00 H new ATOM 0 HD2 ARG A 301 13.968 -5.381 7.682 1.00 25.00 H new ATOM 0 HD3 ARG A 301 12.365 -5.403 6.974 1.00 25.00 H new ATOM 0 HE ARG A 301 12.719 -7.634 6.184 1.00 25.00 H new ATOM 0 HH11 ARG A 301 15.541 -6.449 7.995 1.00 25.00 H new ATOM 0 HH12 ARG A 301 16.179 -8.083 8.208 1.00 25.00 H new ATOM 0 HH21 ARG A 301 13.581 -9.637 6.509 1.00 25.00 H new ATOM 0 HH22 ARG A 301 15.099 -9.837 7.390 1.00 25.00 H new ATOM 79 N LYS A 302 12.217 -5.633 1.274 1.00 25.00 N ATOM 80 CA LYS A 302 11.190 -5.946 0.269 1.00 25.00 C ATOM 81 C LYS A 302 11.535 -7.240 -0.446 1.00 25.00 C ATOM 82 O LYS A 302 10.708 -8.135 -0.525 1.00 25.00 O ATOM 83 CB LYS A 302 11.033 -4.798 -0.745 1.00 25.00 C ATOM 84 CG LYS A 302 9.928 -5.062 -1.771 1.00 25.00 C ATOM 85 CD LYS A 302 9.745 -3.922 -2.769 1.00 25.00 C ATOM 86 CE LYS A 302 8.599 -4.258 -3.745 1.00 25.00 C ATOM 87 NZ LYS A 302 8.379 -3.194 -4.792 1.00 25.00 N ATOM 0 H LYS A 302 12.715 -4.757 1.115 1.00 25.00 H new ATOM 0 HA LYS A 302 10.238 -6.069 0.785 1.00 25.00 H new ATOM 0 HB2 LYS A 302 10.813 -3.874 -0.210 1.00 25.00 H new ATOM 0 HB3 LYS A 302 11.978 -4.647 -1.266 1.00 25.00 H new ATOM 0 HG2 LYS A 302 10.158 -5.978 -2.315 1.00 25.00 H new ATOM 0 HG3 LYS A 302 8.988 -5.231 -1.246 1.00 25.00 H new ATOM 0 HD2 LYS A 302 9.523 -2.995 -2.239 1.00 25.00 H new ATOM 0 HD3 LYS A 302 10.670 -3.760 -3.322 1.00 25.00 H new ATOM 0 HE2 LYS A 302 8.817 -5.205 -4.239 1.00 25.00 H new ATOM 0 HE3 LYS A 302 7.678 -4.398 -3.179 1.00 25.00 H new ATOM 0 HZ1 LYS A 302 7.597 -3.478 -5.416 1.00 25.00 H new ATOM 0 HZ2 LYS A 302 8.142 -2.294 -4.328 1.00 25.00 H new ATOM 0 HZ3 LYS A 302 9.246 -3.076 -5.354 1.00 25.00 H new ATOM 115 N GLY A 304 13.385 -9.592 0.572 1.00 25.00 N ATOM 116 CA GLY A 304 13.338 -10.684 1.528 1.00 25.00 C ATOM 117 C GLY A 304 11.974 -11.337 1.650 1.00 25.00 C ATOM 118 O GLY A 304 11.893 -12.525 1.946 1.00 25.00 O ATOM 0 HA2 GLY A 304 14.067 -11.440 1.237 1.00 25.00 H new ATOM 0 HA3 GLY A 304 13.640 -10.310 2.506 1.00 25.00 H new ATOM 122 N LYS A 305 10.898 -10.596 1.394 1.00 25.00 N ATOM 123 CA LYS A 305 9.557 -11.193 1.472 1.00 25.00 C ATOM 124 C LYS A 305 9.411 -12.245 0.385 1.00 25.00 C ATOM 125 O LYS A 305 8.997 -13.364 0.645 1.00 25.00 O ATOM 126 CB LYS A 305 8.442 -10.145 1.304 1.00 25.00 C ATOM 127 CG LYS A 305 7.035 -10.762 1.461 1.00 25.00 C ATOM 128 CD LYS A 305 5.906 -9.788 1.136 1.00 25.00 C ATOM 129 CE LYS A 305 4.546 -10.498 1.297 1.00 25.00 C ATOM 130 NZ LYS A 305 3.368 -9.642 0.906 1.00 25.00 N ATOM 0 H LYS A 305 10.919 -9.609 1.137 1.00 25.00 H new ATOM 0 HA LYS A 305 9.453 -11.638 2.462 1.00 25.00 H new ATOM 0 HB2 LYS A 305 8.575 -9.354 2.042 1.00 25.00 H new ATOM 0 HB3 LYS A 305 8.526 -9.681 0.321 1.00 25.00 H new ATOM 0 HG2 LYS A 305 6.953 -11.632 0.809 1.00 25.00 H new ATOM 0 HG3 LYS A 305 6.915 -11.118 2.484 1.00 25.00 H new ATOM 0 HD2 LYS A 305 5.957 -8.923 1.798 1.00 25.00 H new ATOM 0 HD3 LYS A 305 6.015 -9.416 0.117 1.00 25.00 H new ATOM 0 HE2 LYS A 305 4.544 -11.403 0.690 1.00 25.00 H new ATOM 0 HE3 LYS A 305 4.429 -10.810 2.335 1.00 25.00 H new ATOM 0 HZ1 LYS A 305 2.488 -10.181 1.039 1.00 25.00 H new ATOM 0 HZ2 LYS A 305 3.345 -8.790 1.501 1.00 25.00 H new ATOM 0 HZ3 LYS A 305 3.457 -9.364 -0.092 1.00 25.00 H new ATOM 144 N TYR A 306 9.746 -11.871 -0.836 1.00 25.00 N ATOM 145 CA TYR A 306 9.579 -12.760 -1.977 1.00 25.00 C ATOM 146 C TYR A 306 10.548 -13.914 -1.911 1.00 25.00 C ATOM 147 O TYR A 306 10.227 -15.012 -2.307 1.00 25.00 O ATOM 148 CB TYR A 306 9.789 -11.985 -3.267 1.00 25.00 C ATOM 149 CG TYR A 306 8.879 -10.792 -3.349 1.00 25.00 C ATOM 150 CD1 TYR A 306 7.553 -10.924 -3.807 1.00 25.00 C ATOM 151 CD2 TYR A 306 9.327 -9.521 -2.939 1.00 25.00 C ATOM 152 CE1 TYR A 306 6.690 -9.796 -3.873 1.00 25.00 C ATOM 153 CE2 TYR A 306 8.464 -8.397 -2.997 1.00 25.00 C ATOM 154 CZ TYR A 306 7.160 -8.544 -3.470 1.00 25.00 C ATOM 155 OH TYR A 306 6.340 -7.443 -3.530 1.00 25.00 O ATOM 0 H TYR A 306 10.136 -10.957 -1.066 1.00 25.00 H new ATOM 0 HA TYR A 306 8.566 -13.162 -1.953 1.00 25.00 H new ATOM 0 HB2 TYR A 306 10.827 -11.657 -3.331 1.00 25.00 H new ATOM 0 HB3 TYR A 306 9.609 -12.640 -4.119 1.00 25.00 H new ATOM 0 HD1 TYR A 306 7.188 -11.894 -4.112 1.00 25.00 H new ATOM 0 HD2 TYR A 306 10.337 -9.401 -2.577 1.00 25.00 H new ATOM 0 HE1 TYR A 306 5.678 -9.907 -4.232 1.00 25.00 H new ATOM 0 HE2 TYR A 306 8.816 -7.428 -2.675 1.00 25.00 H new ATOM 0 HH TYR A 306 6.827 -6.655 -3.211 1.00 25.00 H new ATOM 165 N LYS A 307 11.718 -13.676 -1.342 1.00 25.00 N ATOM 166 CA LYS A 307 12.708 -14.735 -1.177 1.00 25.00 C ATOM 167 C LYS A 307 12.183 -15.851 -0.263 1.00 25.00 C ATOM 168 O LYS A 307 12.541 -17.004 -0.425 1.00 25.00 O ATOM 169 CB LYS A 307 14.005 -14.136 -0.628 1.00 25.00 C ATOM 170 CG LYS A 307 15.253 -14.979 -0.943 1.00 25.00 C ATOM 171 CD LYS A 307 15.717 -14.796 -2.395 1.00 25.00 C ATOM 172 CE LYS A 307 16.334 -16.073 -2.961 1.00 25.00 C ATOM 173 NZ LYS A 307 17.573 -16.543 -2.277 1.00 25.00 N ATOM 0 H LYS A 307 12.008 -12.765 -0.987 1.00 25.00 H new ATOM 0 HA LYS A 307 12.908 -15.186 -2.149 1.00 25.00 H new ATOM 0 HB2 LYS A 307 14.138 -13.136 -1.042 1.00 25.00 H new ATOM 0 HB3 LYS A 307 13.915 -14.024 0.453 1.00 25.00 H new ATOM 0 HG2 LYS A 307 16.060 -14.699 -0.266 1.00 25.00 H new ATOM 0 HG3 LYS A 307 15.035 -16.031 -0.762 1.00 25.00 H new ATOM 0 HD2 LYS A 307 14.869 -14.498 -3.012 1.00 25.00 H new ATOM 0 HD3 LYS A 307 16.447 -13.988 -2.444 1.00 25.00 H new ATOM 0 HE2 LYS A 307 15.590 -16.868 -2.914 1.00 25.00 H new ATOM 0 HE3 LYS A 307 16.560 -15.911 -4.015 1.00 25.00 H new ATOM 0 HZ1 LYS A 307 17.913 -17.413 -2.734 1.00 25.00 H new ATOM 0 HZ2 LYS A 307 18.306 -15.808 -2.343 1.00 25.00 H new ATOM 0 HZ3 LYS A 307 17.365 -16.736 -1.276 1.00 25.00 H new ATOM 187 N LYS A 308 11.291 -15.515 0.661 1.00 25.00 N ATOM 188 CA LYS A 308 10.645 -16.532 1.503 1.00 25.00 C ATOM 189 C LYS A 308 9.623 -17.315 0.679 1.00 25.00 C ATOM 190 O LYS A 308 9.480 -18.525 0.837 1.00 25.00 O ATOM 191 CB LYS A 308 9.960 -15.869 2.712 1.00 25.00 C ATOM 192 CG LYS A 308 9.275 -16.850 3.679 1.00 25.00 C ATOM 193 CD LYS A 308 7.762 -16.958 3.400 1.00 25.00 C ATOM 194 CE LYS A 308 7.096 -18.034 4.259 1.00 25.00 C ATOM 195 NZ LYS A 308 7.066 -17.674 5.720 1.00 25.00 N ATOM 0 H LYS A 308 10.996 -14.557 0.850 1.00 25.00 H new ATOM 0 HA LYS A 308 11.405 -17.221 1.872 1.00 25.00 H new ATOM 0 HB2 LYS A 308 10.704 -15.295 3.264 1.00 25.00 H new ATOM 0 HB3 LYS A 308 9.217 -15.160 2.348 1.00 25.00 H new ATOM 0 HG2 LYS A 308 9.734 -17.834 3.586 1.00 25.00 H new ATOM 0 HG3 LYS A 308 9.434 -16.520 4.706 1.00 25.00 H new ATOM 0 HD2 LYS A 308 7.288 -15.995 3.593 1.00 25.00 H new ATOM 0 HD3 LYS A 308 7.603 -17.186 2.346 1.00 25.00 H new ATOM 0 HE2 LYS A 308 6.077 -18.195 3.907 1.00 25.00 H new ATOM 0 HE3 LYS A 308 7.629 -18.976 4.132 1.00 25.00 H new ATOM 0 HZ1 LYS A 308 6.605 -18.436 6.256 1.00 25.00 H new ATOM 0 HZ2 LYS A 308 8.038 -17.547 6.066 1.00 25.00 H new ATOM 0 HZ3 LYS A 308 6.534 -16.790 5.849 1.00 25.00 H new ATOM 209 N VAL A 309 8.902 -16.618 -0.183 1.00 25.00 N ATOM 210 CA VAL A 309 7.867 -17.245 -1.007 1.00 25.00 C ATOM 211 C VAL A 309 8.510 -18.161 -2.043 1.00 25.00 C ATOM 212 O VAL A 309 8.007 -19.229 -2.321 1.00 25.00 O ATOM 213 CB VAL A 309 7.004 -16.189 -1.747 1.00 25.00 C ATOM 214 CG1 VAL A 309 5.928 -16.873 -2.557 1.00 25.00 C ATOM 215 CG2 VAL A 309 6.358 -15.214 -0.749 1.00 25.00 C ATOM 0 H VAL A 309 9.010 -15.615 -0.335 1.00 25.00 H new ATOM 0 HA VAL A 309 7.223 -17.817 -0.339 1.00 25.00 H new ATOM 0 HB VAL A 309 7.656 -15.624 -2.414 1.00 25.00 H new ATOM 0 HG11 VAL A 309 5.328 -16.123 -3.072 1.00 25.00 H new ATOM 0 HG12 VAL A 309 6.390 -17.535 -3.290 1.00 25.00 H new ATOM 0 HG13 VAL A 309 5.289 -17.456 -1.894 1.00 25.00 H new ATOM 0 HG21 VAL A 309 5.758 -14.483 -1.291 1.00 25.00 H new ATOM 0 HG22 VAL A 309 5.720 -15.768 -0.060 1.00 25.00 H new ATOM 0 HG23 VAL A 309 7.137 -14.699 -0.187 1.00 25.00 H new ATOM 225 N GLU A 310 9.668 -17.761 -2.540 1.00 25.00 N ATOM 226 CA GLU A 310 10.437 -18.537 -3.515 1.00 25.00 C ATOM 227 C GLU A 310 10.700 -19.960 -3.017 1.00 25.00 C ATOM 228 O GLU A 310 10.700 -20.915 -3.786 1.00 25.00 O ATOM 229 CB GLU A 310 11.762 -17.808 -3.745 1.00 25.00 C ATOM 230 CG GLU A 310 12.648 -18.367 -4.837 1.00 25.00 C ATOM 231 CD GLU A 310 13.974 -17.625 -4.884 1.00 25.00 C ATOM 232 OE1 GLU A 310 13.955 -16.371 -4.903 1.00 25.00 O ATOM 233 OE2 GLU A 310 15.038 -18.279 -4.789 1.00 25.00 O ATOM 0 H GLU A 310 10.111 -16.880 -2.279 1.00 25.00 H new ATOM 0 HA GLU A 310 9.871 -18.622 -4.443 1.00 25.00 H new ATOM 0 HB2 GLU A 310 11.544 -16.766 -3.980 1.00 25.00 H new ATOM 0 HB3 GLU A 310 12.324 -17.814 -2.811 1.00 25.00 H new ATOM 0 HG2 GLU A 310 12.825 -19.428 -4.661 1.00 25.00 H new ATOM 0 HG3 GLU A 310 12.144 -18.283 -5.800 1.00 25.00 H new ATOM 240 N ILE A 311 10.892 -20.095 -1.713 1.00 25.00 N ATOM 241 CA ILE A 311 11.105 -21.404 -1.108 1.00 25.00 C ATOM 242 C ILE A 311 9.771 -22.148 -0.955 1.00 25.00 C ATOM 243 O ILE A 311 9.705 -23.362 -1.137 1.00 25.00 O ATOM 244 CB ILE A 311 11.784 -21.261 0.297 1.00 25.00 C ATOM 245 CG1 ILE A 311 13.111 -20.472 0.185 1.00 25.00 C ATOM 246 CG2 ILE A 311 12.032 -22.648 0.948 1.00 25.00 C ATOM 247 CD1 ILE A 311 14.198 -21.097 -0.736 1.00 25.00 C ATOM 0 H ILE A 311 10.905 -19.317 -1.054 1.00 25.00 H new ATOM 0 HA ILE A 311 11.762 -21.974 -1.765 1.00 25.00 H new ATOM 0 HB ILE A 311 11.101 -20.705 0.940 1.00 25.00 H new ATOM 0 HG12 ILE A 311 12.886 -19.470 -0.180 1.00 25.00 H new ATOM 0 HG13 ILE A 311 13.530 -20.360 1.185 1.00 25.00 H new ATOM 0 HG21 ILE A 311 12.504 -22.514 1.921 1.00 25.00 H new ATOM 0 HG22 ILE A 311 11.081 -23.166 1.074 1.00 25.00 H new ATOM 0 HG23 ILE A 311 12.685 -23.239 0.306 1.00 25.00 H new ATOM 0 HD11 ILE A 311 15.083 -20.460 -0.739 1.00 25.00 H new ATOM 0 HD12 ILE A 311 14.464 -22.087 -0.365 1.00 25.00 H new ATOM 0 HD13 ILE A 311 13.810 -21.183 -1.751 1.00 25.00 H new ATOM 259 N LYS A 312 8.721 -21.432 -0.571 1.00 25.00 N ATOM 260 CA LYS A 312 7.445 -22.053 -0.283 1.00 25.00 C ATOM 261 C LYS A 312 6.588 -22.379 -1.481 1.00 25.00 C ATOM 262 O LYS A 312 6.207 -23.516 -1.646 1.00 25.00 O ATOM 263 CB LYS A 312 6.627 -21.159 0.666 1.00 25.00 C ATOM 264 CG LYS A 312 6.671 -21.597 2.125 1.00 25.00 C ATOM 265 CD LYS A 312 6.144 -23.019 2.221 1.00 25.00 C ATOM 266 CE LYS A 312 5.782 -23.447 3.632 1.00 25.00 C ATOM 267 NZ LYS A 312 5.212 -24.846 3.590 1.00 25.00 N ATOM 0 H LYS A 312 8.734 -20.419 -0.453 1.00 25.00 H new ATOM 0 HA LYS A 312 7.708 -23.009 0.170 1.00 25.00 H new ATOM 0 HB2 LYS A 312 6.997 -20.136 0.593 1.00 25.00 H new ATOM 0 HB3 LYS A 312 5.589 -21.147 0.332 1.00 25.00 H new ATOM 0 HG2 LYS A 312 7.691 -21.545 2.505 1.00 25.00 H new ATOM 0 HG3 LYS A 312 6.068 -20.928 2.739 1.00 25.00 H new ATOM 0 HD2 LYS A 312 5.263 -23.113 1.586 1.00 25.00 H new ATOM 0 HD3 LYS A 312 6.896 -23.702 1.826 1.00 25.00 H new ATOM 0 HE2 LYS A 312 6.664 -23.419 4.272 1.00 25.00 H new ATOM 0 HE3 LYS A 312 5.055 -22.757 4.060 1.00 25.00 H new ATOM 0 HZ1 LYS A 312 4.961 -25.148 4.553 1.00 25.00 H new ATOM 0 HZ2 LYS A 312 4.362 -24.857 2.991 1.00 25.00 H new ATOM 0 HZ3 LYS A 312 5.921 -25.498 3.197 1.00 25.00 H new ATOM 281 N GLU A 313 6.240 -21.372 -2.261 1.00 25.00 N ATOM 282 CA GLU A 313 5.268 -21.531 -3.338 1.00 25.00 C ATOM 283 C GLU A 313 5.757 -22.522 -4.382 1.00 25.00 C ATOM 284 O GLU A 313 5.055 -23.440 -4.775 1.00 25.00 O ATOM 285 CB GLU A 313 5.007 -20.185 -3.991 1.00 25.00 C ATOM 286 CG GLU A 313 3.727 -19.527 -3.480 1.00 25.00 C ATOM 287 CD GLU A 313 3.477 -18.152 -4.099 1.00 25.00 C ATOM 288 OE1 GLU A 313 4.088 -17.841 -5.146 1.00 25.00 O ATOM 289 OE2 GLU A 313 2.762 -17.339 -3.466 1.00 25.00 O ATOM 0 H GLU A 313 6.616 -20.428 -2.171 1.00 25.00 H new ATOM 0 HA GLU A 313 4.344 -21.920 -2.909 1.00 25.00 H new ATOM 0 HB2 GLU A 313 5.852 -19.523 -3.803 1.00 25.00 H new ATOM 0 HB3 GLU A 313 4.939 -20.316 -5.071 1.00 25.00 H new ATOM 0 HG2 GLU A 313 2.879 -20.177 -3.696 1.00 25.00 H new ATOM 0 HG3 GLU A 313 3.784 -19.427 -2.396 1.00 25.00 H new ATOM 296 N LEU A 314 7.002 -22.350 -4.796 1.00 25.00 N ATOM 297 CA LEU A 314 7.602 -23.220 -5.803 1.00 25.00 C ATOM 298 C LEU A 314 7.854 -24.596 -5.197 1.00 25.00 C ATOM 299 O LEU A 314 7.956 -25.590 -5.904 1.00 25.00 O ATOM 300 CB LEU A 314 8.919 -22.630 -6.326 1.00 25.00 C ATOM 301 CG LEU A 314 8.844 -21.429 -7.295 1.00 25.00 C ATOM 302 CD1 LEU A 314 8.263 -20.152 -6.671 1.00 25.00 C ATOM 303 CD2 LEU A 314 10.257 -21.129 -7.807 1.00 25.00 C ATOM 0 H LEU A 314 7.620 -21.615 -4.452 1.00 25.00 H new ATOM 0 HA LEU A 314 6.913 -23.308 -6.643 1.00 25.00 H new ATOM 0 HB2 LEU A 314 9.514 -22.327 -5.464 1.00 25.00 H new ATOM 0 HB3 LEU A 314 9.467 -23.429 -6.826 1.00 25.00 H new ATOM 0 HG LEU A 314 8.165 -21.716 -8.098 1.00 25.00 H new ATOM 0 HD11 LEU A 314 8.245 -19.358 -7.417 1.00 25.00 H new ATOM 0 HD12 LEU A 314 7.248 -20.346 -6.324 1.00 25.00 H new ATOM 0 HD13 LEU A 314 8.882 -19.844 -5.828 1.00 25.00 H new ATOM 0 HD21 LEU A 314 10.223 -20.283 -8.493 1.00 25.00 H new ATOM 0 HD22 LEU A 314 10.906 -20.888 -6.965 1.00 25.00 H new ATOM 0 HD23 LEU A 314 10.649 -22.003 -8.328 1.00 25.00 H new ATOM 315 N GLY A 315 7.979 -24.638 -3.879 1.00 25.00 N ATOM 316 CA GLY A 315 8.229 -25.884 -3.179 1.00 25.00 C ATOM 317 C GLY A 315 7.057 -26.844 -3.210 1.00 25.00 C ATOM 318 O GLY A 315 7.254 -28.046 -3.098 1.00 25.00 O ATOM 0 H GLY A 315 7.911 -23.820 -3.273 1.00 25.00 H new ATOM 0 HA2 GLY A 315 9.098 -26.371 -3.621 1.00 25.00 H new ATOM 0 HA3 GLY A 315 8.480 -25.664 -2.141 1.00 25.00 H new ATOM 322 N GLU A 316 5.842 -26.334 -3.360 1.00 25.00 N ATOM 323 CA GLU A 316 4.656 -27.195 -3.368 1.00 25.00 C ATOM 324 C GLU A 316 4.628 -28.038 -4.640 1.00 25.00 C ATOM 325 O GLU A 316 4.335 -29.227 -4.604 1.00 25.00 O ATOM 326 CB GLU A 316 3.383 -26.347 -3.242 1.00 25.00 C ATOM 327 CG GLU A 316 3.488 -25.342 -2.098 1.00 25.00 C ATOM 328 CD GLU A 316 2.169 -24.702 -1.693 1.00 25.00 C ATOM 329 OE1 GLU A 316 1.172 -24.804 -2.434 1.00 25.00 O ATOM 330 OE2 GLU A 316 2.150 -24.071 -0.602 1.00 25.00 O ATOM 0 H GLU A 316 5.647 -25.340 -3.477 1.00 25.00 H new ATOM 0 HA GLU A 316 4.700 -27.869 -2.513 1.00 25.00 H new ATOM 0 HB2 GLU A 316 3.204 -25.817 -4.177 1.00 25.00 H new ATOM 0 HB3 GLU A 316 2.526 -26.999 -3.076 1.00 25.00 H new ATOM 0 HG2 GLU A 316 3.915 -25.844 -1.230 1.00 25.00 H new ATOM 0 HG3 GLU A 316 4.185 -24.555 -2.386 1.00 25.00 H new ATOM 337 N LEU A 317 5.028 -27.431 -5.750 1.00 25.00 N ATOM 338 CA LEU A 317 5.099 -28.126 -7.042 1.00 25.00 C ATOM 339 C LEU A 317 6.132 -29.247 -6.960 1.00 25.00 C ATOM 340 O LEU A 317 5.983 -30.305 -7.554 1.00 25.00 O ATOM 341 CB LEU A 317 5.534 -27.154 -8.159 1.00 25.00 C ATOM 342 CG LEU A 317 4.607 -26.030 -8.675 1.00 25.00 C ATOM 343 CD1 LEU A 317 3.347 -26.603 -9.300 1.00 25.00 C ATOM 344 CD2 LEU A 317 4.231 -24.998 -7.604 1.00 25.00 C ATOM 0 H LEU A 317 5.311 -26.452 -5.788 1.00 25.00 H new ATOM 0 HA LEU A 317 4.111 -28.526 -7.269 1.00 25.00 H new ATOM 0 HB2 LEU A 317 6.451 -26.673 -7.818 1.00 25.00 H new ATOM 0 HB3 LEU A 317 5.797 -27.765 -9.022 1.00 25.00 H new ATOM 0 HG LEU A 317 5.187 -25.503 -9.433 1.00 25.00 H new ATOM 0 HD11 LEU A 317 2.714 -25.789 -9.654 1.00 25.00 H new ATOM 0 HD12 LEU A 317 3.616 -27.245 -10.139 1.00 25.00 H new ATOM 0 HD13 LEU A 317 2.805 -27.187 -8.556 1.00 25.00 H new ATOM 0 HD21 LEU A 317 3.579 -24.241 -8.041 1.00 25.00 H new ATOM 0 HD22 LEU A 317 3.711 -25.496 -6.786 1.00 25.00 H new ATOM 0 HD23 LEU A 317 5.135 -24.523 -7.224 1.00 25.00 H new ATOM 356 N ARG A 318 7.195 -28.987 -6.210 1.00 25.00 N ATOM 357 CA ARG A 318 8.313 -29.925 -6.058 1.00 25.00 C ATOM 358 C ARG A 318 7.960 -31.145 -5.223 1.00 25.00 C ATOM 359 O ARG A 318 8.697 -32.122 -5.230 1.00 25.00 O ATOM 360 CB ARG A 318 9.531 -29.219 -5.466 1.00 25.00 C ATOM 361 CG ARG A 318 10.091 -28.149 -6.385 1.00 25.00 C ATOM 362 CD ARG A 318 11.098 -27.281 -5.665 1.00 25.00 C ATOM 363 NE ARG A 318 11.400 -26.074 -6.448 1.00 25.00 N ATOM 364 CZ ARG A 318 12.084 -25.026 -6.008 1.00 25.00 C ATOM 365 NH1 ARG A 318 12.577 -24.972 -4.795 1.00 25.00 N ATOM 366 NH2 ARG A 318 12.271 -24.011 -6.802 1.00 25.00 N ATOM 0 H ARG A 318 7.312 -28.119 -5.687 1.00 25.00 H new ATOM 0 HA ARG A 318 8.549 -30.284 -7.060 1.00 25.00 H new ATOM 0 HB2 ARG A 318 9.256 -28.767 -4.513 1.00 25.00 H new ATOM 0 HB3 ARG A 318 10.307 -29.955 -5.257 1.00 25.00 H new ATOM 0 HG2 ARG A 318 10.563 -28.618 -7.248 1.00 25.00 H new ATOM 0 HG3 ARG A 318 9.278 -27.529 -6.764 1.00 25.00 H new ATOM 0 HD2 ARG A 318 10.708 -26.998 -4.687 1.00 25.00 H new ATOM 0 HD3 ARG A 318 12.014 -27.846 -5.491 1.00 25.00 H new ATOM 0 HE ARG A 318 11.056 -26.040 -7.407 1.00 25.00 H new ATOM 0 HH11 ARG A 318 12.440 -25.753 -4.154 1.00 25.00 H new ATOM 0 HH12 ARG A 318 13.098 -24.149 -4.492 1.00 25.00 H new ATOM 0 HH21 ARG A 318 11.893 -24.028 -7.749 1.00 25.00 H new ATOM 0 HH22 ARG A 318 12.795 -23.199 -6.477 1.00 25.00 H new ATOM 380 N LYS A 319 6.884 -31.073 -4.449 1.00 25.00 N ATOM 381 CA LYS A 319 6.465 -32.227 -3.648 1.00 25.00 C ATOM 382 C LYS A 319 5.962 -33.322 -4.600 1.00 25.00 C ATOM 383 O LYS A 319 6.045 -34.503 -4.275 1.00 25.00 O ATOM 384 CB LYS A 319 5.421 -31.803 -2.588 1.00 25.00 C ATOM 385 CG LYS A 319 3.955 -32.181 -2.855 1.00 25.00 C ATOM 386 CD LYS A 319 3.600 -33.539 -2.231 1.00 25.00 C ATOM 387 CE LYS A 319 2.255 -34.049 -2.724 1.00 25.00 C ATOM 388 NZ LYS A 319 1.126 -33.184 -2.288 1.00 25.00 N ATOM 0 H LYS A 319 6.293 -30.247 -4.356 1.00 25.00 H new ATOM 0 HA LYS A 319 7.304 -32.635 -3.085 1.00 25.00 H new ATOM 0 HB2 LYS A 319 5.714 -32.239 -1.633 1.00 25.00 H new ATOM 0 HB3 LYS A 319 5.475 -30.720 -2.475 1.00 25.00 H new ATOM 0 HG2 LYS A 319 3.300 -31.410 -2.449 1.00 25.00 H new ATOM 0 HG3 LYS A 319 3.777 -32.216 -3.930 1.00 25.00 H new ATOM 0 HD2 LYS A 319 4.376 -34.265 -2.474 1.00 25.00 H new ATOM 0 HD3 LYS A 319 3.578 -33.446 -1.145 1.00 25.00 H new ATOM 0 HE2 LYS A 319 2.267 -34.104 -3.813 1.00 25.00 H new ATOM 0 HE3 LYS A 319 2.096 -35.062 -2.355 1.00 25.00 H new ATOM 0 HZ1 LYS A 319 0.269 -33.437 -2.820 1.00 25.00 H new ATOM 0 HZ2 LYS A 319 0.956 -33.322 -1.271 1.00 25.00 H new ATOM 0 HZ3 LYS A 319 1.363 -32.187 -2.467 1.00 25.00 H new ATOM 402 N GLU A 320 5.523 -32.890 -5.786 1.00 25.00 N ATOM 403 CA GLU A 320 5.080 -33.747 -6.901 1.00 25.00 C ATOM 404 C GLU A 320 3.862 -34.672 -6.624 1.00 25.00 C ATOM 405 O GLU A 320 3.584 -35.050 -5.487 1.00 25.00 O ATOM 406 CB GLU A 320 6.267 -34.576 -7.437 1.00 25.00 C ATOM 407 CG GLU A 320 7.307 -33.731 -8.180 1.00 25.00 C ATOM 408 CD GLU A 320 8.414 -34.573 -8.816 1.00 25.00 C ATOM 409 OE1 GLU A 320 8.305 -35.821 -8.824 1.00 25.00 O ATOM 410 OE2 GLU A 320 9.385 -33.977 -9.341 1.00 25.00 O ATOM 0 H GLU A 320 5.462 -31.897 -6.009 1.00 25.00 H new ATOM 0 HA GLU A 320 4.716 -33.044 -7.650 1.00 25.00 H new ATOM 0 HB2 GLU A 320 6.751 -35.086 -6.604 1.00 25.00 H new ATOM 0 HB3 GLU A 320 5.889 -35.348 -8.108 1.00 25.00 H new ATOM 0 HG2 GLU A 320 6.808 -33.150 -8.956 1.00 25.00 H new ATOM 0 HG3 GLU A 320 7.753 -33.019 -7.485 1.00 25.00 H new ATOM 417 N PRO A 321 3.107 -35.054 -7.677 1.00 25.00 N ATOM 418 CA PRO A 321 3.244 -34.695 -9.100 1.00 25.00 C ATOM 419 C PRO A 321 2.783 -33.267 -9.434 1.00 25.00 C ATOM 420 O PRO A 321 3.514 -32.521 -10.061 1.00 25.00 O ATOM 421 CB PRO A 321 2.384 -35.750 -9.801 1.00 25.00 C ATOM 422 CG PRO A 321 1.323 -36.096 -8.813 1.00 25.00 C ATOM 423 CD PRO A 321 1.978 -35.980 -7.454 1.00 25.00 C ATOM 0 HA PRO A 321 4.287 -34.691 -9.417 1.00 25.00 H new ATOM 0 HB2 PRO A 321 1.953 -35.360 -10.723 1.00 25.00 H new ATOM 0 HB3 PRO A 321 2.974 -36.626 -10.070 1.00 25.00 H new ATOM 0 HG2 PRO A 321 0.473 -35.419 -8.897 1.00 25.00 H new ATOM 0 HG3 PRO A 321 0.945 -37.104 -8.981 1.00 25.00 H new ATOM 0 HD2 PRO A 321 1.284 -35.591 -6.709 1.00 25.00 H new ATOM 0 HD3 PRO A 321 2.322 -36.949 -7.093 1.00 25.00 H new ATOM 431 N SER A 322 1.559 -32.913 -9.062 1.00 25.00 N ATOM 432 CA SER A 322 1.035 -31.570 -9.303 1.00 25.00 C ATOM 433 C SER A 322 1.382 -30.571 -8.197 1.00 25.00 C ATOM 434 O SER A 322 1.933 -29.512 -8.459 1.00 25.00 O ATOM 435 CB SER A 322 -0.484 -31.643 -9.461 1.00 25.00 C ATOM 436 OG SER A 322 -1.057 -32.492 -8.474 1.00 25.00 O ATOM 0 H SER A 322 0.906 -33.539 -8.590 1.00 25.00 H new ATOM 0 HA SER A 322 1.509 -31.205 -10.214 1.00 25.00 H new ATOM 0 HB2 SER A 322 -0.911 -30.643 -9.379 1.00 25.00 H new ATOM 0 HB3 SER A 322 -0.733 -32.015 -10.455 1.00 25.00 H new ATOM 0 HG SER A 322 -2.029 -32.522 -8.593 1.00 25.00 H new ATOM 442 N LEU A 323 0.963 -30.910 -6.983 1.00 25.00 N ATOM 443 CA LEU A 323 1.049 -30.061 -5.795 1.00 25.00 C ATOM 444 C LEU A 323 0.894 -31.049 -4.660 1.00 25.00 C ATOM 445 O LEU A 323 0.517 -32.202 -4.991 1.00 25.00 O ATOM 446 CB LEU A 323 -0.121 -29.056 -5.719 1.00 25.00 C ATOM 447 CG LEU A 323 -0.090 -27.787 -6.581 1.00 25.00 C ATOM 448 CD1 LEU A 323 -1.421 -27.055 -6.447 1.00 25.00 C ATOM 449 CD2 LEU A 323 1.042 -26.870 -6.157 1.00 25.00 C ATOM 450 OXT LEU A 323 1.058 -30.686 -3.480 1.00 25.00 O ATOM 0 H LEU A 323 0.538 -31.817 -6.789 1.00 25.00 H new ATOM 0 HA LEU A 323 1.969 -29.477 -5.782 1.00 25.00 H new ATOM 0 HB2 LEU A 323 -1.033 -29.598 -5.970 1.00 25.00 H new ATOM 0 HB3 LEU A 323 -0.213 -28.741 -4.679 1.00 25.00 H new ATOM 0 HG LEU A 323 0.074 -28.075 -7.619 1.00 25.00 H new ATOM 0 HD11 LEU A 323 -1.403 -26.153 -7.058 1.00 25.00 H new ATOM 0 HD12 LEU A 323 -2.229 -27.705 -6.783 1.00 25.00 H new ATOM 0 HD13 LEU A 323 -1.584 -26.784 -5.404 1.00 25.00 H new ATOM 0 HD21 LEU A 323 1.042 -25.978 -6.784 1.00 25.00 H new ATOM 0 HD22 LEU A 323 0.905 -26.581 -5.115 1.00 25.00 H new ATOM 0 HD23 LEU A 323 1.993 -27.391 -6.268 1.00 25.00 H new