USER MOD reduce.3.24.130724 H: found=0, std=0, add=225, rem=0, adj=6 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 Set 1.1: A 299 ASN : amide:sc= 0.507 K(o=1.3,f=-3.7!) USER MOD Set 1.2: A 302 LYS NZ :NH3+ 157:sc= 0.818 (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+ -132:sc= 0.809 (180deg=-0.449!) USER MOD Single : A 308 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 312 LYS NZ :NH3+ 170:sc= 1.12 (180deg=1.03) USER MOD Single : A 319 LYS NZ :NH3+ -157:sc= 1.6 (180deg=0.905) USER MOD Single : A 322 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N ASN A 299 14.504 -0.861 0.895 1.00 25.00 N ATOM 18 CA ASN A 299 13.802 -1.780 -0.019 1.00 25.00 C ATOM 19 C ASN A 299 14.204 -3.246 0.139 1.00 25.00 C ATOM 20 O ASN A 299 13.429 -4.127 -0.203 1.00 25.00 O ATOM 21 CB ASN A 299 13.993 -1.355 -1.484 1.00 25.00 C ATOM 22 CG ASN A 299 12.867 -0.470 -1.982 1.00 25.00 C ATOM 23 OD1 ASN A 299 11.755 -0.515 -1.468 1.00 25.00 O ATOM 24 ND2 ASN A 299 13.149 0.336 -2.967 1.00 25.00 N ATOM 0 HA ASN A 299 12.751 -1.708 0.260 1.00 25.00 H new ATOM 0 HB2 ASN A 299 14.940 -0.824 -1.585 1.00 25.00 H new ATOM 0 HB3 ASN A 299 14.057 -2.244 -2.112 1.00 25.00 H new ATOM 0 HD21 ASN A 299 12.432 0.959 -3.337 1.00 25.00 H new ATOM 0 HD22 ASN A 299 14.087 0.343 -3.367 1.00 25.00 H new ATOM 31 N ARG A 300 15.387 -3.511 0.687 1.00 25.00 N ATOM 32 CA ARG A 300 15.854 -4.893 0.907 1.00 25.00 C ATOM 33 C ARG A 300 14.850 -5.738 1.708 1.00 25.00 C ATOM 34 O ARG A 300 14.774 -6.946 1.531 1.00 25.00 O ATOM 35 CB ARG A 300 17.211 -4.889 1.639 1.00 25.00 C ATOM 36 CG ARG A 300 18.367 -4.249 0.847 1.00 25.00 C ATOM 37 CD ARG A 300 19.688 -4.320 1.636 1.00 25.00 C ATOM 38 NE ARG A 300 20.806 -3.671 0.920 1.00 25.00 N ATOM 39 CZ ARG A 300 22.051 -3.550 1.383 1.00 25.00 C ATOM 40 NH1 ARG A 300 22.413 -4.005 2.558 1.00 25.00 N ATOM 41 NH2 ARG A 300 22.950 -2.958 0.647 1.00 25.00 N ATOM 0 H ARG A 300 16.045 -2.793 0.990 1.00 25.00 H new ATOM 0 HA ARG A 300 15.958 -5.347 -0.079 1.00 25.00 H new ATOM 0 HB2 ARG A 300 17.097 -4.357 2.584 1.00 25.00 H new ATOM 0 HB3 ARG A 300 17.480 -5.917 1.882 1.00 25.00 H new ATOM 0 HG2 ARG A 300 18.483 -4.760 -0.109 1.00 25.00 H new ATOM 0 HG3 ARG A 300 18.128 -3.209 0.626 1.00 25.00 H new ATOM 0 HD2 ARG A 300 19.555 -3.842 2.606 1.00 25.00 H new ATOM 0 HD3 ARG A 300 19.939 -5.363 1.827 1.00 25.00 H new ATOM 0 HE ARG A 300 20.610 -3.284 -0.003 1.00 25.00 H new ATOM 0 HH11 ARG A 300 21.732 -4.472 3.156 1.00 25.00 H new ATOM 0 HH12 ARG A 300 23.376 -3.892 2.874 1.00 25.00 H new ATOM 0 HH21 ARG A 300 22.698 -2.594 -0.272 1.00 25.00 H new ATOM 0 HH22 ARG A 300 23.906 -2.859 0.990 1.00 25.00 H new ATOM 55 N ARG A 301 14.051 -5.100 2.556 1.00 25.00 N ATOM 56 CA ARG A 301 13.028 -5.818 3.334 1.00 25.00 C ATOM 57 C ARG A 301 11.944 -6.422 2.433 1.00 25.00 C ATOM 58 O ARG A 301 11.433 -7.491 2.731 1.00 25.00 O ATOM 59 CB ARG A 301 12.376 -4.885 4.365 1.00 25.00 C ATOM 60 CG ARG A 301 13.328 -4.396 5.477 1.00 25.00 C ATOM 61 CD ARG A 301 13.690 -5.496 6.499 1.00 25.00 C ATOM 62 NE ARG A 301 12.545 -5.878 7.349 1.00 25.00 N ATOM 63 CZ ARG A 301 12.598 -6.732 8.371 1.00 25.00 C ATOM 64 NH1 ARG A 301 13.705 -7.339 8.725 1.00 25.00 N ATOM 65 NH2 ARG A 301 11.514 -6.972 9.057 1.00 25.00 N ATOM 0 H ARG A 301 14.085 -4.095 2.727 1.00 25.00 H new ATOM 0 HA ARG A 301 13.535 -6.633 3.851 1.00 25.00 H new ATOM 0 HB2 ARG A 301 11.969 -4.018 3.845 1.00 25.00 H new ATOM 0 HB3 ARG A 301 11.536 -5.404 4.826 1.00 25.00 H new ATOM 0 HG2 ARG A 301 14.243 -4.017 5.022 1.00 25.00 H new ATOM 0 HG3 ARG A 301 12.864 -3.561 6.002 1.00 25.00 H new ATOM 0 HD2 ARG A 301 14.053 -6.376 5.968 1.00 25.00 H new ATOM 0 HD3 ARG A 301 14.506 -5.146 7.131 1.00 25.00 H new ATOM 0 HE ARG A 301 11.641 -5.455 7.137 1.00 25.00 H new ATOM 0 HH11 ARG A 301 14.569 -7.165 8.212 1.00 25.00 H new ATOM 0 HH12 ARG A 301 13.702 -7.986 9.514 1.00 25.00 H new ATOM 0 HH21 ARG A 301 10.640 -6.508 8.809 1.00 25.00 H new ATOM 0 HH22 ARG A 301 11.541 -7.623 9.841 1.00 25.00 H new ATOM 79 N LYS A 302 11.621 -5.763 1.325 1.00 25.00 N ATOM 80 CA LYS A 302 10.636 -6.304 0.376 1.00 25.00 C ATOM 81 C LYS A 302 11.205 -7.563 -0.246 1.00 25.00 C ATOM 82 O LYS A 302 10.550 -8.592 -0.278 1.00 25.00 O ATOM 83 CB LYS A 302 10.313 -5.312 -0.753 1.00 25.00 C ATOM 84 CG LYS A 302 9.530 -4.067 -0.338 1.00 25.00 C ATOM 85 CD LYS A 302 9.108 -3.293 -1.600 1.00 25.00 C ATOM 86 CE LYS A 302 8.229 -2.072 -1.299 1.00 25.00 C ATOM 87 NZ LYS A 302 8.982 -0.951 -0.640 1.00 25.00 N ATOM 0 H LYS A 302 12.018 -4.862 1.058 1.00 25.00 H new ATOM 0 HA LYS A 302 9.717 -6.505 0.926 1.00 25.00 H new ATOM 0 HB2 LYS A 302 11.250 -4.994 -1.211 1.00 25.00 H new ATOM 0 HB3 LYS A 302 9.745 -5.837 -1.521 1.00 25.00 H new ATOM 0 HG2 LYS A 302 8.651 -4.351 0.240 1.00 25.00 H new ATOM 0 HG3 LYS A 302 10.143 -3.434 0.304 1.00 25.00 H new ATOM 0 HD2 LYS A 302 10.001 -2.966 -2.133 1.00 25.00 H new ATOM 0 HD3 LYS A 302 8.568 -3.965 -2.266 1.00 25.00 H new ATOM 0 HE2 LYS A 302 7.790 -1.710 -2.229 1.00 25.00 H new ATOM 0 HE3 LYS A 302 7.404 -2.376 -0.654 1.00 25.00 H new ATOM 0 HZ1 LYS A 302 8.485 -0.053 -0.808 1.00 25.00 H new ATOM 0 HZ2 LYS A 302 9.042 -1.127 0.383 1.00 25.00 H new ATOM 0 HZ3 LYS A 302 9.941 -0.896 -1.038 1.00 25.00 H new ATOM 115 N GLY A 304 13.341 -9.651 0.780 1.00 25.00 N ATOM 116 CA GLY A 304 13.402 -10.775 1.697 1.00 25.00 C ATOM 117 C GLY A 304 12.125 -11.593 1.736 1.00 25.00 C ATOM 118 O GLY A 304 12.179 -12.805 1.930 1.00 25.00 O ATOM 0 HA2 GLY A 304 14.231 -11.423 1.411 1.00 25.00 H new ATOM 0 HA3 GLY A 304 13.618 -10.405 2.699 1.00 25.00 H new ATOM 122 N LYS A 305 10.977 -10.963 1.514 1.00 25.00 N ATOM 123 CA LYS A 305 9.713 -11.712 1.502 1.00 25.00 C ATOM 124 C LYS A 305 9.692 -12.639 0.309 1.00 25.00 C ATOM 125 O LYS A 305 9.422 -13.818 0.444 1.00 25.00 O ATOM 126 CB LYS A 305 8.483 -10.801 1.412 1.00 25.00 C ATOM 127 CG LYS A 305 8.111 -10.099 2.716 1.00 25.00 C ATOM 128 CD LYS A 305 6.696 -9.481 2.643 1.00 25.00 C ATOM 129 CE LYS A 305 5.588 -10.561 2.712 1.00 25.00 C ATOM 130 NZ LYS A 305 4.193 -9.983 2.616 1.00 25.00 N ATOM 0 H LYS A 305 10.888 -9.961 1.343 1.00 25.00 H new ATOM 0 HA LYS A 305 9.664 -12.261 2.442 1.00 25.00 H new ATOM 0 HB2 LYS A 305 8.663 -10.045 0.647 1.00 25.00 H new ATOM 0 HB3 LYS A 305 7.632 -11.395 1.079 1.00 25.00 H new ATOM 0 HG2 LYS A 305 8.156 -10.812 3.540 1.00 25.00 H new ATOM 0 HG3 LYS A 305 8.840 -9.317 2.930 1.00 25.00 H new ATOM 0 HD2 LYS A 305 6.566 -8.775 3.463 1.00 25.00 H new ATOM 0 HD3 LYS A 305 6.594 -8.916 1.717 1.00 25.00 H new ATOM 0 HE2 LYS A 305 5.735 -11.277 1.903 1.00 25.00 H new ATOM 0 HE3 LYS A 305 5.683 -11.112 3.647 1.00 25.00 H new ATOM 0 HZ1 LYS A 305 3.494 -10.752 2.668 1.00 25.00 H new ATOM 0 HZ2 LYS A 305 4.037 -9.320 3.402 1.00 25.00 H new ATOM 0 HZ3 LYS A 305 4.087 -9.479 1.712 1.00 25.00 H new ATOM 144 N TYR A 306 9.961 -12.093 -0.863 1.00 25.00 N ATOM 145 CA TYR A 306 9.885 -12.866 -2.096 1.00 25.00 C ATOM 146 C TYR A 306 10.896 -13.988 -2.133 1.00 25.00 C ATOM 147 O TYR A 306 10.579 -15.073 -2.556 1.00 25.00 O ATOM 148 CB TYR A 306 10.082 -11.954 -3.291 1.00 25.00 C ATOM 149 CG TYR A 306 9.109 -10.808 -3.283 1.00 25.00 C ATOM 150 CD1 TYR A 306 7.738 -11.019 -3.537 1.00 25.00 C ATOM 151 CD2 TYR A 306 9.548 -9.504 -3.002 1.00 25.00 C ATOM 152 CE1 TYR A 306 6.822 -9.933 -3.531 1.00 25.00 C ATOM 153 CE2 TYR A 306 8.636 -8.415 -2.992 1.00 25.00 C ATOM 154 CZ TYR A 306 7.284 -8.640 -3.263 1.00 25.00 C ATOM 155 OH TYR A 306 6.408 -7.585 -3.250 1.00 25.00 O ATOM 0 H TYR A 306 10.234 -11.119 -0.990 1.00 25.00 H new ATOM 0 HA TYR A 306 8.894 -13.319 -2.135 1.00 25.00 H new ATOM 0 HB2 TYR A 306 11.101 -11.566 -3.289 1.00 25.00 H new ATOM 0 HB3 TYR A 306 9.961 -12.527 -4.210 1.00 25.00 H new ATOM 0 HD1 TYR A 306 7.380 -12.018 -3.738 1.00 25.00 H new ATOM 0 HD2 TYR A 306 10.592 -9.327 -2.791 1.00 25.00 H new ATOM 0 HE1 TYR A 306 5.775 -10.105 -3.732 1.00 25.00 H new ATOM 0 HE2 TYR A 306 8.986 -7.417 -2.776 1.00 25.00 H new ATOM 0 HH TYR A 306 6.894 -6.759 -3.046 1.00 25.00 H new ATOM 165 N LYS A 307 12.096 -13.760 -1.622 1.00 25.00 N ATOM 166 CA LYS A 307 13.089 -14.795 -1.554 1.00 25.00 C ATOM 167 C LYS A 307 12.653 -15.939 -0.625 1.00 25.00 C ATOM 168 O LYS A 307 13.027 -17.079 -0.827 1.00 25.00 O ATOM 169 CB LYS A 307 14.409 -14.164 -1.100 1.00 25.00 C ATOM 170 CG LYS A 307 15.588 -14.498 -2.010 1.00 25.00 C ATOM 171 CD LYS A 307 15.751 -15.992 -2.075 1.00 25.00 C ATOM 172 CE LYS A 307 17.014 -16.443 -2.813 1.00 25.00 C ATOM 173 NZ LYS A 307 16.910 -16.222 -4.295 1.00 25.00 N ATOM 0 H LYS A 307 12.397 -12.859 -1.249 1.00 25.00 H new ATOM 0 HA LYS A 307 13.220 -15.243 -2.539 1.00 25.00 H new ATOM 0 HB2 LYS A 307 14.289 -13.081 -1.056 1.00 25.00 H new ATOM 0 HB3 LYS A 307 14.634 -14.501 -0.088 1.00 25.00 H new ATOM 0 HG2 LYS A 307 15.419 -14.094 -3.008 1.00 25.00 H new ATOM 0 HG3 LYS A 307 16.499 -14.036 -1.630 1.00 25.00 H new ATOM 0 HD2 LYS A 307 15.772 -16.391 -1.061 1.00 25.00 H new ATOM 0 HD3 LYS A 307 14.880 -16.422 -2.569 1.00 25.00 H new ATOM 0 HE2 LYS A 307 17.875 -15.898 -2.425 1.00 25.00 H new ATOM 0 HE3 LYS A 307 17.191 -17.500 -2.616 1.00 25.00 H new ATOM 0 HZ1 LYS A 307 17.204 -17.085 -4.796 1.00 25.00 H new ATOM 0 HZ2 LYS A 307 15.926 -15.995 -4.544 1.00 25.00 H new ATOM 0 HZ3 LYS A 307 17.528 -15.433 -4.573 1.00 25.00 H new ATOM 187 N LYS A 308 11.822 -15.652 0.368 1.00 25.00 N ATOM 188 CA LYS A 308 11.272 -16.725 1.201 1.00 25.00 C ATOM 189 C LYS A 308 10.137 -17.444 0.471 1.00 25.00 C ATOM 190 O LYS A 308 9.991 -18.654 0.583 1.00 25.00 O ATOM 191 CB LYS A 308 10.798 -16.180 2.556 1.00 25.00 C ATOM 192 CG LYS A 308 10.455 -17.272 3.585 1.00 25.00 C ATOM 193 CD LYS A 308 11.683 -18.114 3.965 1.00 25.00 C ATOM 194 CE LYS A 308 11.309 -19.228 4.936 1.00 25.00 C ATOM 195 NZ LYS A 308 12.499 -20.092 5.263 1.00 25.00 N ATOM 0 H LYS A 308 11.517 -14.711 0.617 1.00 25.00 H new ATOM 0 HA LYS A 308 12.064 -17.448 1.393 1.00 25.00 H new ATOM 0 HB2 LYS A 308 11.575 -15.537 2.969 1.00 25.00 H new ATOM 0 HB3 LYS A 308 9.919 -15.556 2.397 1.00 25.00 H new ATOM 0 HG2 LYS A 308 10.042 -16.808 4.481 1.00 25.00 H new ATOM 0 HG3 LYS A 308 9.681 -17.923 3.178 1.00 25.00 H new ATOM 0 HD2 LYS A 308 12.124 -18.545 3.066 1.00 25.00 H new ATOM 0 HD3 LYS A 308 12.441 -17.474 4.417 1.00 25.00 H new ATOM 0 HE2 LYS A 308 10.909 -18.795 5.853 1.00 25.00 H new ATOM 0 HE3 LYS A 308 10.520 -19.842 4.502 1.00 25.00 H new ATOM 0 HZ1 LYS A 308 12.213 -20.841 5.926 1.00 25.00 H new ATOM 0 HZ2 LYS A 308 12.865 -20.523 4.390 1.00 25.00 H new ATOM 0 HZ3 LYS A 308 13.242 -19.509 5.699 1.00 25.00 H new ATOM 209 N VAL A 309 9.363 -16.695 -0.298 1.00 25.00 N ATOM 210 CA VAL A 309 8.267 -17.257 -1.094 1.00 25.00 C ATOM 211 C VAL A 309 8.817 -18.102 -2.230 1.00 25.00 C ATOM 212 O VAL A 309 8.227 -19.083 -2.596 1.00 25.00 O ATOM 213 CB VAL A 309 7.362 -16.129 -1.656 1.00 25.00 C ATOM 214 CG1 VAL A 309 6.320 -16.670 -2.622 1.00 25.00 C ATOM 215 CG2 VAL A 309 6.657 -15.450 -0.523 1.00 25.00 C ATOM 0 H VAL A 309 9.470 -15.685 -0.393 1.00 25.00 H new ATOM 0 HA VAL A 309 7.664 -17.891 -0.444 1.00 25.00 H new ATOM 0 HB VAL A 309 8.000 -15.428 -2.194 1.00 25.00 H new ATOM 0 HG11 VAL A 309 5.707 -15.849 -2.993 1.00 25.00 H new ATOM 0 HG12 VAL A 309 6.819 -17.158 -3.460 1.00 25.00 H new ATOM 0 HG13 VAL A 309 5.686 -17.392 -2.107 1.00 25.00 H new ATOM 0 HG21 VAL A 309 6.020 -14.657 -0.914 1.00 25.00 H new ATOM 0 HG22 VAL A 309 6.045 -16.176 0.012 1.00 25.00 H new ATOM 0 HG23 VAL A 309 7.392 -15.022 0.159 1.00 25.00 H new ATOM 225 N GLU A 310 9.999 -17.772 -2.714 1.00 25.00 N ATOM 226 CA GLU A 310 10.680 -18.557 -3.746 1.00 25.00 C ATOM 227 C GLU A 310 10.832 -20.015 -3.300 1.00 25.00 C ATOM 228 O GLU A 310 10.720 -20.938 -4.097 1.00 25.00 O ATOM 229 CB GLU A 310 12.052 -17.918 -3.973 1.00 25.00 C ATOM 230 CG GLU A 310 12.882 -18.476 -5.103 1.00 25.00 C ATOM 231 CD GLU A 310 14.238 -17.788 -5.151 1.00 25.00 C ATOM 232 OE1 GLU A 310 14.276 -16.537 -5.244 1.00 25.00 O ATOM 233 OE2 GLU A 310 15.274 -18.467 -4.979 1.00 25.00 O ATOM 0 H GLU A 310 10.522 -16.952 -2.407 1.00 25.00 H new ATOM 0 HA GLU A 310 10.101 -18.559 -4.670 1.00 25.00 H new ATOM 0 HB2 GLU A 310 11.906 -16.853 -4.152 1.00 25.00 H new ATOM 0 HB3 GLU A 310 12.627 -18.010 -3.051 1.00 25.00 H new ATOM 0 HG2 GLU A 310 13.016 -19.550 -4.970 1.00 25.00 H new ATOM 0 HG3 GLU A 310 12.361 -18.335 -6.050 1.00 25.00 H new ATOM 240 N ILE A 311 11.034 -20.213 -2.004 1.00 25.00 N ATOM 241 CA ILE A 311 11.180 -21.554 -1.443 1.00 25.00 C ATOM 242 C ILE A 311 9.814 -22.242 -1.382 1.00 25.00 C ATOM 243 O ILE A 311 9.709 -23.458 -1.493 1.00 25.00 O ATOM 244 CB ILE A 311 11.796 -21.489 -0.001 1.00 25.00 C ATOM 245 CG1 ILE A 311 13.122 -20.691 -0.012 1.00 25.00 C ATOM 246 CG2 ILE A 311 12.020 -22.910 0.584 1.00 25.00 C ATOM 247 CD1 ILE A 311 14.261 -21.281 -0.886 1.00 25.00 C ATOM 0 H ILE A 311 11.101 -19.461 -1.318 1.00 25.00 H new ATOM 0 HA ILE A 311 11.851 -22.124 -2.086 1.00 25.00 H new ATOM 0 HB ILE A 311 11.083 -20.973 0.642 1.00 25.00 H new ATOM 0 HG12 ILE A 311 12.912 -19.679 -0.358 1.00 25.00 H new ATOM 0 HG13 ILE A 311 13.483 -20.609 1.013 1.00 25.00 H new ATOM 0 HG21 ILE A 311 12.448 -22.829 1.583 1.00 25.00 H new ATOM 0 HG22 ILE A 311 11.067 -23.435 0.639 1.00 25.00 H new ATOM 0 HG23 ILE A 311 12.703 -23.465 -0.059 1.00 25.00 H new ATOM 0 HD11 ILE A 311 15.141 -20.641 -0.818 1.00 25.00 H new ATOM 0 HD12 ILE A 311 14.512 -22.281 -0.531 1.00 25.00 H new ATOM 0 HD13 ILE A 311 13.932 -21.337 -1.924 1.00 25.00 H new ATOM 259 N LYS A 312 8.763 -21.458 -1.176 1.00 25.00 N ATOM 260 CA LYS A 312 7.424 -21.990 -1.037 1.00 25.00 C ATOM 261 C LYS A 312 6.792 -22.301 -2.366 1.00 25.00 C ATOM 262 O LYS A 312 6.325 -23.398 -2.579 1.00 25.00 O ATOM 263 CB LYS A 312 6.555 -20.971 -0.311 1.00 25.00 C ATOM 264 CG LYS A 312 5.465 -21.605 0.513 1.00 25.00 C ATOM 265 CD LYS A 312 5.986 -22.393 1.737 1.00 25.00 C ATOM 266 CE LYS A 312 4.956 -23.427 2.216 1.00 25.00 C ATOM 267 NZ LYS A 312 4.849 -24.598 1.268 1.00 25.00 N ATOM 0 H LYS A 312 8.820 -20.442 -1.102 1.00 25.00 H new ATOM 0 HA LYS A 312 7.498 -22.920 -0.473 1.00 25.00 H new ATOM 0 HB2 LYS A 312 7.185 -20.362 0.337 1.00 25.00 H new ATOM 0 HB3 LYS A 312 6.105 -20.299 -1.042 1.00 25.00 H new ATOM 0 HG2 LYS A 312 4.783 -20.827 0.857 1.00 25.00 H new ATOM 0 HG3 LYS A 312 4.887 -22.277 -0.121 1.00 25.00 H new ATOM 0 HD2 LYS A 312 6.917 -22.897 1.478 1.00 25.00 H new ATOM 0 HD3 LYS A 312 6.213 -21.701 2.548 1.00 25.00 H new ATOM 0 HE2 LYS A 312 5.236 -23.786 3.206 1.00 25.00 H new ATOM 0 HE3 LYS A 312 3.981 -22.949 2.314 1.00 25.00 H new ATOM 0 HZ1 LYS A 312 4.276 -25.348 1.705 1.00 25.00 H new ATOM 0 HZ2 LYS A 312 4.398 -24.289 0.384 1.00 25.00 H new ATOM 0 HZ3 LYS A 312 5.800 -24.965 1.061 1.00 25.00 H new ATOM 281 N GLU A 313 6.774 -21.314 -3.244 1.00 25.00 N ATOM 282 CA GLU A 313 6.114 -21.442 -4.535 1.00 25.00 C ATOM 283 C GLU A 313 6.655 -22.624 -5.329 1.00 25.00 C ATOM 284 O GLU A 313 5.915 -23.482 -5.789 1.00 25.00 O ATOM 285 CB GLU A 313 6.320 -20.179 -5.343 1.00 25.00 C ATOM 286 CG GLU A 313 5.583 -19.036 -4.753 1.00 25.00 C ATOM 287 CD GLU A 313 4.075 -19.146 -4.874 1.00 25.00 C ATOM 288 OE1 GLU A 313 3.566 -19.328 -5.995 1.00 25.00 O ATOM 289 OE2 GLU A 313 3.400 -18.982 -3.834 1.00 25.00 O ATOM 0 H GLU A 313 7.212 -20.407 -3.086 1.00 25.00 H new ATOM 0 HA GLU A 313 5.053 -21.606 -4.346 1.00 25.00 H new ATOM 0 HB2 GLU A 313 7.383 -19.944 -5.389 1.00 25.00 H new ATOM 0 HB3 GLU A 313 5.984 -20.341 -6.367 1.00 25.00 H new ATOM 0 HG2 GLU A 313 5.847 -18.952 -3.699 1.00 25.00 H new ATOM 0 HG3 GLU A 313 5.910 -18.116 -5.238 1.00 25.00 H new ATOM 296 N LEU A 314 7.973 -22.676 -5.458 1.00 25.00 N ATOM 297 CA LEU A 314 8.624 -23.740 -6.214 1.00 25.00 C ATOM 298 C LEU A 314 8.600 -25.041 -5.421 1.00 25.00 C ATOM 299 O LEU A 314 8.682 -26.131 -5.982 1.00 25.00 O ATOM 300 CB LEU A 314 10.073 -23.350 -6.531 1.00 25.00 C ATOM 301 CG LEU A 314 10.262 -22.050 -7.340 1.00 25.00 C ATOM 302 CD1 LEU A 314 11.751 -21.717 -7.434 1.00 25.00 C ATOM 303 CD2 LEU A 314 9.669 -22.163 -8.750 1.00 25.00 C ATOM 0 H LEU A 314 8.613 -21.995 -5.050 1.00 25.00 H new ATOM 0 HA LEU A 314 8.082 -23.886 -7.148 1.00 25.00 H new ATOM 0 HB2 LEU A 314 10.616 -23.252 -5.591 1.00 25.00 H new ATOM 0 HB3 LEU A 314 10.536 -24.168 -7.082 1.00 25.00 H new ATOM 0 HG LEU A 314 9.731 -21.253 -6.819 1.00 25.00 H new ATOM 0 HD11 LEU A 314 11.883 -20.798 -8.006 1.00 25.00 H new ATOM 0 HD12 LEU A 314 12.158 -21.582 -6.432 1.00 25.00 H new ATOM 0 HD13 LEU A 314 12.276 -22.533 -7.932 1.00 25.00 H new ATOM 0 HD21 LEU A 314 9.823 -21.226 -9.286 1.00 25.00 H new ATOM 0 HD22 LEU A 314 10.161 -22.974 -9.288 1.00 25.00 H new ATOM 0 HD23 LEU A 314 8.601 -22.369 -8.680 1.00 25.00 H new ATOM 315 N GLY A 315 8.491 -24.915 -4.105 1.00 25.00 N ATOM 316 CA GLY A 315 8.475 -26.079 -3.238 1.00 25.00 C ATOM 317 C GLY A 315 7.147 -26.806 -3.274 1.00 25.00 C ATOM 318 O GLY A 315 7.103 -28.015 -3.093 1.00 25.00 O ATOM 0 H GLY A 315 8.413 -24.022 -3.619 1.00 25.00 H new ATOM 0 HA2 GLY A 315 9.269 -26.763 -3.538 1.00 25.00 H new ATOM 0 HA3 GLY A 315 8.690 -25.770 -2.215 1.00 25.00 H new ATOM 322 N GLU A 316 6.063 -26.083 -3.518 1.00 25.00 N ATOM 323 CA GLU A 316 4.752 -26.675 -3.595 1.00 25.00 C ATOM 324 C GLU A 316 4.650 -27.635 -4.768 1.00 25.00 C ATOM 325 O GLU A 316 4.154 -28.742 -4.631 1.00 25.00 O ATOM 326 CB GLU A 316 3.736 -25.558 -3.747 1.00 25.00 C ATOM 327 CG GLU A 316 2.619 -25.674 -2.784 1.00 25.00 C ATOM 328 CD GLU A 316 3.042 -25.392 -1.346 1.00 25.00 C ATOM 329 OE1 GLU A 316 3.448 -24.251 -1.047 1.00 25.00 O ATOM 330 OE2 GLU A 316 2.961 -26.316 -0.492 1.00 25.00 O ATOM 0 H GLU A 316 6.076 -25.074 -3.666 1.00 25.00 H new ATOM 0 HA GLU A 316 4.560 -27.246 -2.687 1.00 25.00 H new ATOM 0 HB2 GLU A 316 4.233 -24.598 -3.608 1.00 25.00 H new ATOM 0 HB3 GLU A 316 3.339 -25.568 -4.762 1.00 25.00 H new ATOM 0 HG2 GLU A 316 1.828 -24.979 -3.067 1.00 25.00 H new ATOM 0 HG3 GLU A 316 2.198 -26.678 -2.843 1.00 25.00 H new ATOM 337 N LEU A 317 5.176 -27.222 -5.911 1.00 25.00 N ATOM 338 CA LEU A 317 5.150 -28.063 -7.107 1.00 25.00 C ATOM 339 C LEU A 317 6.028 -29.288 -6.888 1.00 25.00 C ATOM 340 O LEU A 317 5.783 -30.340 -7.448 1.00 25.00 O ATOM 341 CB LEU A 317 5.664 -27.283 -8.332 1.00 25.00 C ATOM 342 CG LEU A 317 4.703 -26.336 -9.084 1.00 25.00 C ATOM 343 CD1 LEU A 317 3.526 -27.108 -9.676 1.00 25.00 C ATOM 344 CD2 LEU A 317 4.182 -25.186 -8.218 1.00 25.00 C ATOM 0 H LEU A 317 5.625 -26.315 -6.040 1.00 25.00 H new ATOM 0 HA LEU A 317 4.121 -28.370 -7.292 1.00 25.00 H new ATOM 0 HB2 LEU A 317 6.520 -26.691 -8.008 1.00 25.00 H new ATOM 0 HB3 LEU A 317 6.035 -28.012 -9.052 1.00 25.00 H new ATOM 0 HG LEU A 317 5.293 -25.893 -9.886 1.00 25.00 H new ATOM 0 HD11 LEU A 317 2.865 -26.418 -10.200 1.00 25.00 H new ATOM 0 HD12 LEU A 317 3.897 -27.857 -10.376 1.00 25.00 H new ATOM 0 HD13 LEU A 317 2.975 -27.601 -8.875 1.00 25.00 H new ATOM 0 HD21 LEU A 317 3.513 -24.560 -8.808 1.00 25.00 H new ATOM 0 HD22 LEU A 317 3.640 -25.591 -7.363 1.00 25.00 H new ATOM 0 HD23 LEU A 317 5.022 -24.587 -7.865 1.00 25.00 H new ATOM 356 N ARG A 318 7.052 -29.135 -6.058 1.00 25.00 N ATOM 357 CA ARG A 318 7.992 -30.221 -5.765 1.00 25.00 C ATOM 358 C ARG A 318 7.481 -31.285 -4.812 1.00 25.00 C ATOM 359 O ARG A 318 8.096 -32.339 -4.703 1.00 25.00 O ATOM 360 CB ARG A 318 9.346 -29.679 -5.302 1.00 25.00 C ATOM 361 CG ARG A 318 10.211 -29.191 -6.466 1.00 25.00 C ATOM 362 CD ARG A 318 10.610 -30.362 -7.381 1.00 25.00 C ATOM 363 NE ARG A 318 11.328 -29.912 -8.580 1.00 25.00 N ATOM 364 CZ ARG A 318 11.416 -30.602 -9.712 1.00 25.00 C ATOM 365 NH1 ARG A 318 10.853 -31.773 -9.881 1.00 25.00 N ATOM 366 NH2 ARG A 318 12.085 -30.092 -10.711 1.00 25.00 N ATOM 0 H ARG A 318 7.258 -28.263 -5.570 1.00 25.00 H new ATOM 0 HA ARG A 318 8.114 -30.735 -6.719 1.00 25.00 H new ATOM 0 HB2 ARG A 318 9.185 -28.858 -4.604 1.00 25.00 H new ATOM 0 HB3 ARG A 318 9.880 -30.459 -4.759 1.00 25.00 H new ATOM 0 HG2 ARG A 318 9.665 -28.444 -7.042 1.00 25.00 H new ATOM 0 HG3 ARG A 318 11.107 -28.704 -6.080 1.00 25.00 H new ATOM 0 HD2 ARG A 318 11.237 -31.058 -6.824 1.00 25.00 H new ATOM 0 HD3 ARG A 318 9.715 -30.908 -7.680 1.00 25.00 H new ATOM 0 HE ARG A 318 11.792 -29.005 -8.541 1.00 25.00 H new ATOM 0 HH11 ARG A 318 10.317 -32.195 -9.123 1.00 25.00 H new ATOM 0 HH12 ARG A 318 10.951 -32.262 -10.771 1.00 25.00 H new ATOM 0 HH21 ARG A 318 12.529 -29.179 -10.614 1.00 25.00 H new ATOM 0 HH22 ARG A 318 12.164 -30.607 -11.588 1.00 25.00 H new ATOM 380 N LYS A 319 6.397 -31.017 -4.098 1.00 25.00 N ATOM 381 CA LYS A 319 5.792 -32.052 -3.250 1.00 25.00 C ATOM 382 C LYS A 319 5.363 -33.199 -4.159 1.00 25.00 C ATOM 383 O LYS A 319 5.547 -34.359 -3.811 1.00 25.00 O ATOM 384 CB LYS A 319 4.586 -31.504 -2.493 1.00 25.00 C ATOM 385 CG LYS A 319 4.968 -30.529 -1.383 1.00 25.00 C ATOM 386 CD LYS A 319 3.915 -29.457 -1.210 1.00 25.00 C ATOM 387 CE LYS A 319 2.638 -29.968 -0.581 1.00 25.00 C ATOM 388 NZ LYS A 319 1.573 -28.952 -0.841 1.00 25.00 N ATOM 0 H LYS A 319 5.922 -30.115 -4.083 1.00 25.00 H new ATOM 0 HA LYS A 319 6.514 -32.393 -2.508 1.00 25.00 H new ATOM 0 HB2 LYS A 319 3.921 -31.002 -3.196 1.00 25.00 H new ATOM 0 HB3 LYS A 319 4.027 -32.335 -2.062 1.00 25.00 H new ATOM 0 HG2 LYS A 319 5.095 -31.072 -0.446 1.00 25.00 H new ATOM 0 HG3 LYS A 319 5.927 -30.066 -1.616 1.00 25.00 H new ATOM 0 HD2 LYS A 319 4.321 -28.656 -0.592 1.00 25.00 H new ATOM 0 HD3 LYS A 319 3.684 -29.024 -2.183 1.00 25.00 H new ATOM 0 HE2 LYS A 319 2.360 -30.932 -1.006 1.00 25.00 H new ATOM 0 HE3 LYS A 319 2.771 -30.118 0.490 1.00 25.00 H new ATOM 0 HZ1 LYS A 319 0.819 -29.050 -0.132 1.00 25.00 H new ATOM 0 HZ2 LYS A 319 1.982 -27.998 -0.782 1.00 25.00 H new ATOM 0 HZ3 LYS A 319 1.176 -29.100 -1.791 1.00 25.00 H new ATOM 402 N GLU A 320 4.876 -32.820 -5.341 1.00 25.00 N ATOM 403 CA GLU A 320 4.506 -33.733 -6.437 1.00 25.00 C ATOM 404 C GLU A 320 3.381 -34.754 -6.093 1.00 25.00 C ATOM 405 O GLU A 320 3.126 -35.065 -4.934 1.00 25.00 O ATOM 406 CB GLU A 320 5.780 -34.428 -6.984 1.00 25.00 C ATOM 407 CG GLU A 320 6.688 -33.451 -7.753 1.00 25.00 C ATOM 408 CD GLU A 320 7.995 -34.064 -8.255 1.00 25.00 C ATOM 409 OE1 GLU A 320 8.028 -35.275 -8.561 1.00 25.00 O ATOM 410 OE2 GLU A 320 8.987 -33.297 -8.409 1.00 25.00 O ATOM 0 H GLU A 320 4.721 -31.839 -5.575 1.00 25.00 H new ATOM 0 HA GLU A 320 4.060 -33.116 -7.217 1.00 25.00 H new ATOM 0 HB2 GLU A 320 6.338 -34.865 -6.156 1.00 25.00 H new ATOM 0 HB3 GLU A 320 5.491 -35.248 -7.642 1.00 25.00 H new ATOM 0 HG2 GLU A 320 6.136 -33.056 -8.605 1.00 25.00 H new ATOM 0 HG3 GLU A 320 6.923 -32.606 -7.105 1.00 25.00 H new ATOM 417 N PRO A 321 2.657 -35.266 -7.113 1.00 25.00 N ATOM 418 CA PRO A 321 2.763 -35.017 -8.560 1.00 25.00 C ATOM 419 C PRO A 321 2.286 -33.632 -9.012 1.00 25.00 C ATOM 420 O PRO A 321 2.953 -32.987 -9.805 1.00 25.00 O ATOM 421 CB PRO A 321 1.898 -36.132 -9.159 1.00 25.00 C ATOM 422 CG PRO A 321 0.874 -36.413 -8.119 1.00 25.00 C ATOM 423 CD PRO A 321 1.594 -36.245 -6.807 1.00 25.00 C ATOM 0 HA PRO A 321 3.803 -35.025 -8.886 1.00 25.00 H new ATOM 0 HB2 PRO A 321 1.436 -35.816 -10.095 1.00 25.00 H new ATOM 0 HB3 PRO A 321 2.492 -37.019 -9.380 1.00 25.00 H new ATOM 0 HG2 PRO A 321 0.032 -35.725 -8.198 1.00 25.00 H new ATOM 0 HG3 PRO A 321 0.473 -37.421 -8.223 1.00 25.00 H new ATOM 0 HD2 PRO A 321 0.926 -35.880 -6.027 1.00 25.00 H new ATOM 0 HD3 PRO A 321 2.009 -37.189 -6.454 1.00 25.00 H new ATOM 431 N SER A 322 1.111 -33.201 -8.564 1.00 25.00 N ATOM 432 CA SER A 322 0.591 -31.881 -8.937 1.00 25.00 C ATOM 433 C SER A 322 1.064 -30.750 -8.028 1.00 25.00 C ATOM 434 O SER A 322 1.602 -29.753 -8.493 1.00 25.00 O ATOM 435 CB SER A 322 -0.939 -31.899 -8.946 1.00 25.00 C ATOM 436 OG SER A 322 -1.454 -30.682 -9.461 1.00 25.00 O ATOM 0 H SER A 322 0.502 -33.738 -7.947 1.00 25.00 H new ATOM 0 HA SER A 322 0.987 -31.680 -9.933 1.00 25.00 H new ATOM 0 HB2 SER A 322 -1.294 -32.734 -9.550 1.00 25.00 H new ATOM 0 HB3 SER A 322 -1.311 -32.057 -7.934 1.00 25.00 H new ATOM 0 HG SER A 322 -2.433 -30.715 -9.460 1.00 25.00 H new ATOM 442 N LEU A 323 0.764 -30.897 -6.740 1.00 25.00 N ATOM 443 CA LEU A 323 0.978 -29.883 -5.707 1.00 25.00 C ATOM 444 C LEU A 323 0.885 -30.679 -4.422 1.00 25.00 C ATOM 445 O LEU A 323 0.452 -31.848 -4.547 1.00 25.00 O ATOM 446 CB LEU A 323 -0.148 -28.825 -5.701 1.00 25.00 C ATOM 447 CG LEU A 323 -0.126 -27.684 -6.726 1.00 25.00 C ATOM 448 CD1 LEU A 323 -1.407 -26.867 -6.602 1.00 25.00 C ATOM 449 CD2 LEU A 323 1.080 -26.786 -6.508 1.00 25.00 C ATOM 450 OXT LEU A 323 1.118 -30.131 -3.328 1.00 25.00 O ATOM 0 H LEU A 323 0.351 -31.754 -6.373 1.00 25.00 H new ATOM 0 HA LEU A 323 1.916 -29.348 -5.854 1.00 25.00 H new ATOM 0 HB2 LEU A 323 -1.093 -29.355 -5.824 1.00 25.00 H new ATOM 0 HB3 LEU A 323 -0.163 -28.372 -4.710 1.00 25.00 H new ATOM 0 HG LEU A 323 -0.058 -28.113 -7.726 1.00 25.00 H new ATOM 0 HD11 LEU A 323 -1.393 -26.056 -7.330 1.00 25.00 H new ATOM 0 HD12 LEU A 323 -2.268 -27.509 -6.791 1.00 25.00 H new ATOM 0 HD13 LEU A 323 -1.478 -26.452 -5.597 1.00 25.00 H new ATOM 0 HD21 LEU A 323 1.075 -25.984 -7.246 1.00 25.00 H new ATOM 0 HD22 LEU A 323 1.038 -26.358 -5.507 1.00 25.00 H new ATOM 0 HD23 LEU A 323 1.993 -27.371 -6.615 1.00 25.00 H new