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 302 LYS NZ :NH3+ -121:sc= 0.333 (180deg=0) USER MOD Set 1.2: A 306 TYR OH : rot 30:sc= 0.315 USER MOD Single : A 299 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 305 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 307 LYS NZ :NH3+ -167:sc= -0.0581 (180deg=-0.581) USER MOD Single : A 308 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 312 LYS NZ :NH3+ 165:sc= 0.662 (180deg=0.421) USER MOD Single : A 319 LYS NZ :NH3+ 169:sc=-0.00246 (180deg=-0.159) USER MOD Single : A 322 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N ASN A 299 13.150 -1.564 0.574 1.00 25.00 N ATOM 18 CA ASN A 299 13.507 -2.726 -0.251 1.00 25.00 C ATOM 19 C ASN A 299 13.837 -3.990 0.542 1.00 25.00 C ATOM 20 O ASN A 299 13.532 -5.089 0.115 1.00 25.00 O ATOM 21 CB ASN A 299 14.684 -2.390 -1.171 1.00 25.00 C ATOM 22 CG ASN A 299 14.838 -3.399 -2.287 1.00 25.00 C ATOM 23 OD1 ASN A 299 13.856 -3.931 -2.776 1.00 25.00 O ATOM 24 ND2 ASN A 299 16.051 -3.661 -2.686 1.00 25.00 N ATOM 0 HA ASN A 299 12.611 -2.947 -0.831 1.00 25.00 H new ATOM 0 HB2 ASN A 299 14.539 -1.397 -1.597 1.00 25.00 H new ATOM 0 HB3 ASN A 299 15.603 -2.354 -0.586 1.00 25.00 H new ATOM 0 HD21 ASN A 299 16.207 -4.335 -3.436 1.00 25.00 H new ATOM 0 HD22 ASN A 299 16.844 -3.192 -2.248 1.00 25.00 H new ATOM 31 N ARG A 300 14.422 -3.825 1.720 1.00 25.00 N ATOM 32 CA ARG A 300 14.811 -4.973 2.557 1.00 25.00 C ATOM 33 C ARG A 300 13.634 -5.907 2.856 1.00 25.00 C ATOM 34 O ARG A 300 13.800 -7.123 2.912 1.00 25.00 O ATOM 35 CB ARG A 300 15.451 -4.472 3.864 1.00 25.00 C ATOM 36 CG ARG A 300 16.261 -5.537 4.629 1.00 25.00 C ATOM 37 CD ARG A 300 15.455 -6.195 5.756 1.00 25.00 C ATOM 38 NE ARG A 300 16.281 -7.136 6.535 1.00 25.00 N ATOM 39 CZ ARG A 300 16.436 -8.432 6.273 1.00 25.00 C ATOM 40 NH1 ARG A 300 15.855 -9.021 5.253 1.00 25.00 N ATOM 41 NH2 ARG A 300 17.190 -9.149 7.057 1.00 25.00 N ATOM 0 H ARG A 300 14.641 -2.915 2.125 1.00 25.00 H new ATOM 0 HA ARG A 300 15.539 -5.558 1.995 1.00 25.00 H new ATOM 0 HB2 ARG A 300 16.106 -3.632 3.634 1.00 25.00 H new ATOM 0 HB3 ARG A 300 14.665 -4.094 4.517 1.00 25.00 H new ATOM 0 HG2 ARG A 300 16.595 -6.304 3.931 1.00 25.00 H new ATOM 0 HG3 ARG A 300 17.155 -5.076 5.048 1.00 25.00 H new ATOM 0 HD2 ARG A 300 15.057 -5.425 6.417 1.00 25.00 H new ATOM 0 HD3 ARG A 300 14.601 -6.724 5.333 1.00 25.00 H new ATOM 0 HE ARG A 300 16.776 -6.762 7.344 1.00 25.00 H new ATOM 0 HH11 ARG A 300 15.258 -8.482 4.625 1.00 25.00 H new ATOM 0 HH12 ARG A 300 16.001 -10.017 5.088 1.00 25.00 H new ATOM 0 HH21 ARG A 300 17.651 -8.716 7.857 1.00 25.00 H new ATOM 0 HH22 ARG A 300 17.319 -10.143 6.871 1.00 25.00 H new ATOM 55 N ARG A 301 12.442 -5.344 3.025 1.00 25.00 N ATOM 56 CA ARG A 301 11.247 -6.159 3.280 1.00 25.00 C ATOM 57 C ARG A 301 10.712 -6.777 1.984 1.00 25.00 C ATOM 58 O ARG A 301 10.267 -7.916 1.984 1.00 25.00 O ATOM 59 CB ARG A 301 10.151 -5.321 3.957 1.00 25.00 C ATOM 60 CG ARG A 301 10.516 -4.861 5.381 1.00 25.00 C ATOM 61 CD ARG A 301 9.343 -4.129 6.049 1.00 25.00 C ATOM 62 NE ARG A 301 9.681 -3.632 7.400 1.00 25.00 N ATOM 63 CZ ARG A 301 9.496 -4.295 8.543 1.00 25.00 C ATOM 64 NH1 ARG A 301 8.990 -5.502 8.586 1.00 25.00 N ATOM 65 NH2 ARG A 301 9.831 -3.724 9.668 1.00 25.00 N ATOM 0 H ARG A 301 12.272 -4.339 2.992 1.00 25.00 H new ATOM 0 HA ARG A 301 11.536 -6.968 3.952 1.00 25.00 H new ATOM 0 HB2 ARG A 301 9.945 -4.444 3.343 1.00 25.00 H new ATOM 0 HB3 ARG A 301 9.232 -5.905 3.998 1.00 25.00 H new ATOM 0 HG2 ARG A 301 10.799 -5.725 5.983 1.00 25.00 H new ATOM 0 HG3 ARG A 301 11.383 -4.202 5.341 1.00 25.00 H new ATOM 0 HD2 ARG A 301 9.038 -3.291 5.423 1.00 25.00 H new ATOM 0 HD3 ARG A 301 8.489 -4.803 6.117 1.00 25.00 H new ATOM 0 HE ARG A 301 10.092 -2.700 7.464 1.00 25.00 H new ATOM 0 HH11 ARG A 301 8.720 -5.973 7.722 1.00 25.00 H new ATOM 0 HH12 ARG A 301 8.866 -5.971 9.483 1.00 25.00 H new ATOM 0 HH21 ARG A 301 10.228 -2.784 9.665 1.00 25.00 H new ATOM 0 HH22 ARG A 301 9.696 -4.217 10.550 1.00 25.00 H new ATOM 79 N LYS A 302 10.789 -6.038 0.882 1.00 25.00 N ATOM 80 CA LYS A 302 10.330 -6.541 -0.422 1.00 25.00 C ATOM 81 C LYS A 302 11.168 -7.734 -0.861 1.00 25.00 C ATOM 82 O LYS A 302 10.647 -8.828 -1.047 1.00 25.00 O ATOM 83 CB LYS A 302 10.434 -5.438 -1.489 1.00 25.00 C ATOM 84 CG LYS A 302 9.197 -4.546 -1.620 1.00 25.00 C ATOM 85 CD LYS A 302 8.147 -5.185 -2.537 1.00 25.00 C ATOM 86 CE LYS A 302 6.996 -4.222 -2.844 1.00 25.00 C ATOM 87 NZ LYS A 302 6.011 -4.828 -3.819 1.00 25.00 N ATOM 0 H LYS A 302 11.163 -5.089 0.859 1.00 25.00 H new ATOM 0 HA LYS A 302 9.290 -6.849 -0.315 1.00 25.00 H new ATOM 0 HB2 LYS A 302 11.294 -4.809 -1.257 1.00 25.00 H new ATOM 0 HB3 LYS A 302 10.631 -5.905 -2.454 1.00 25.00 H new ATOM 0 HG2 LYS A 302 8.765 -4.372 -0.635 1.00 25.00 H new ATOM 0 HG3 LYS A 302 9.487 -3.573 -2.017 1.00 25.00 H new ATOM 0 HD2 LYS A 302 8.619 -5.495 -3.469 1.00 25.00 H new ATOM 0 HD3 LYS A 302 7.752 -6.085 -2.065 1.00 25.00 H new ATOM 0 HE2 LYS A 302 6.481 -3.962 -1.919 1.00 25.00 H new ATOM 0 HE3 LYS A 302 7.396 -3.296 -3.257 1.00 25.00 H new ATOM 0 HZ1 LYS A 302 5.945 -4.227 -4.665 1.00 25.00 H new ATOM 0 HZ2 LYS A 302 6.334 -5.778 -4.094 1.00 25.00 H new ATOM 0 HZ3 LYS A 302 5.076 -4.897 -3.370 1.00 25.00 H new ATOM 115 N GLY A 304 13.265 -9.502 0.778 1.00 25.00 N ATOM 116 CA GLY A 304 13.266 -10.568 1.764 1.00 25.00 C ATOM 117 C GLY A 304 12.115 -11.526 1.559 1.00 25.00 C ATOM 118 O GLY A 304 12.270 -12.729 1.752 1.00 25.00 O ATOM 0 HA2 GLY A 304 14.208 -11.114 1.707 1.00 25.00 H new ATOM 0 HA3 GLY A 304 13.207 -10.138 2.764 1.00 25.00 H new ATOM 122 N LYS A 305 10.969 -11.016 1.124 1.00 25.00 N ATOM 123 CA LYS A 305 9.833 -11.896 0.854 1.00 25.00 C ATOM 124 C LYS A 305 10.119 -12.734 -0.377 1.00 25.00 C ATOM 125 O LYS A 305 10.068 -13.946 -0.307 1.00 25.00 O ATOM 126 CB LYS A 305 8.516 -11.122 0.663 1.00 25.00 C ATOM 127 CG LYS A 305 7.330 -12.056 0.328 1.00 25.00 C ATOM 128 CD LYS A 305 6.001 -11.316 0.202 1.00 25.00 C ATOM 129 CE LYS A 305 4.895 -12.235 -0.375 1.00 25.00 C ATOM 130 NZ LYS A 305 4.551 -13.425 0.499 1.00 25.00 N ATOM 0 H LYS A 305 10.801 -10.025 0.953 1.00 25.00 H new ATOM 0 HA LYS A 305 9.705 -12.537 1.726 1.00 25.00 H new ATOM 0 HB2 LYS A 305 8.290 -10.563 1.571 1.00 25.00 H new ATOM 0 HB3 LYS A 305 8.639 -10.393 -0.138 1.00 25.00 H new ATOM 0 HG2 LYS A 305 7.539 -12.577 -0.606 1.00 25.00 H new ATOM 0 HG3 LYS A 305 7.243 -12.816 1.105 1.00 25.00 H new ATOM 0 HD2 LYS A 305 5.695 -10.946 1.180 1.00 25.00 H new ATOM 0 HD3 LYS A 305 6.127 -10.446 -0.443 1.00 25.00 H new ATOM 0 HE2 LYS A 305 3.994 -11.643 -0.533 1.00 25.00 H new ATOM 0 HE3 LYS A 305 5.214 -12.597 -1.352 1.00 25.00 H new ATOM 0 HZ1 LYS A 305 3.805 -13.987 0.042 1.00 25.00 H new ATOM 0 HZ2 LYS A 305 5.397 -14.015 0.631 1.00 25.00 H new ATOM 0 HZ3 LYS A 305 4.215 -13.090 1.424 1.00 25.00 H new ATOM 144 N TYR A 306 10.404 -12.098 -1.504 1.00 25.00 N ATOM 145 CA TYR A 306 10.549 -12.833 -2.764 1.00 25.00 C ATOM 146 C TYR A 306 11.627 -13.893 -2.714 1.00 25.00 C ATOM 147 O TYR A 306 11.435 -14.999 -3.193 1.00 25.00 O ATOM 148 CB TYR A 306 10.876 -11.881 -3.903 1.00 25.00 C ATOM 149 CG TYR A 306 9.880 -10.770 -4.057 1.00 25.00 C ATOM 150 CD1 TYR A 306 8.511 -11.045 -4.270 1.00 25.00 C ATOM 151 CD2 TYR A 306 10.299 -9.433 -3.999 1.00 25.00 C ATOM 152 CE1 TYR A 306 7.577 -9.991 -4.433 1.00 25.00 C ATOM 153 CE2 TYR A 306 9.365 -8.370 -4.163 1.00 25.00 C ATOM 154 CZ TYR A 306 8.013 -8.665 -4.386 1.00 25.00 C ATOM 155 OH TYR A 306 7.089 -7.663 -4.561 1.00 25.00 O ATOM 0 H TYR A 306 10.539 -11.090 -1.578 1.00 25.00 H new ATOM 0 HA TYR A 306 9.591 -13.326 -2.930 1.00 25.00 H new ATOM 0 HB2 TYR A 306 11.864 -11.452 -3.736 1.00 25.00 H new ATOM 0 HB3 TYR A 306 10.927 -12.445 -4.834 1.00 25.00 H new ATOM 0 HD1 TYR A 306 8.172 -12.070 -4.309 1.00 25.00 H new ATOM 0 HD2 TYR A 306 11.341 -9.207 -3.828 1.00 25.00 H new ATOM 0 HE1 TYR A 306 6.532 -10.213 -4.593 1.00 25.00 H new ATOM 0 HE2 TYR A 306 9.697 -7.343 -4.116 1.00 25.00 H new ATOM 0 HH TYR A 306 6.215 -7.963 -4.234 1.00 25.00 H new ATOM 165 N LYS A 307 12.758 -13.562 -2.117 1.00 25.00 N ATOM 166 CA LYS A 307 13.867 -14.499 -2.050 1.00 25.00 C ATOM 167 C LYS A 307 13.501 -15.748 -1.245 1.00 25.00 C ATOM 168 O LYS A 307 13.944 -16.839 -1.565 1.00 25.00 O ATOM 169 CB LYS A 307 15.087 -13.785 -1.467 1.00 25.00 C ATOM 170 CG LYS A 307 16.438 -14.472 -1.765 1.00 25.00 C ATOM 171 CD LYS A 307 17.039 -14.055 -3.129 1.00 25.00 C ATOM 172 CE LYS A 307 16.648 -14.987 -4.290 1.00 25.00 C ATOM 173 NZ LYS A 307 17.165 -16.392 -4.148 1.00 25.00 N ATOM 0 H LYS A 307 12.933 -12.660 -1.675 1.00 25.00 H new ATOM 0 HA LYS A 307 14.106 -14.844 -3.056 1.00 25.00 H new ATOM 0 HB2 LYS A 307 15.118 -12.768 -1.858 1.00 25.00 H new ATOM 0 HB3 LYS A 307 14.964 -13.708 -0.387 1.00 25.00 H new ATOM 0 HG2 LYS A 307 17.146 -14.229 -0.972 1.00 25.00 H new ATOM 0 HG3 LYS A 307 16.301 -15.553 -1.750 1.00 25.00 H new ATOM 0 HD2 LYS A 307 16.715 -13.041 -3.364 1.00 25.00 H new ATOM 0 HD3 LYS A 307 18.125 -14.031 -3.045 1.00 25.00 H new ATOM 0 HE2 LYS A 307 15.561 -15.017 -4.368 1.00 25.00 H new ATOM 0 HE3 LYS A 307 17.023 -14.565 -5.223 1.00 25.00 H new ATOM 0 HZ1 LYS A 307 17.056 -16.895 -5.052 1.00 25.00 H new ATOM 0 HZ2 LYS A 307 18.171 -16.367 -3.884 1.00 25.00 H new ATOM 0 HZ3 LYS A 307 16.626 -16.887 -3.409 1.00 25.00 H new ATOM 187 N LYS A 308 12.658 -15.603 -0.227 1.00 25.00 N ATOM 188 CA LYS A 308 12.169 -16.764 0.514 1.00 25.00 C ATOM 189 C LYS A 308 11.072 -17.504 -0.243 1.00 25.00 C ATOM 190 O LYS A 308 10.990 -18.726 -0.183 1.00 25.00 O ATOM 191 CB LYS A 308 11.676 -16.347 1.908 1.00 25.00 C ATOM 192 CG LYS A 308 11.298 -17.532 2.818 1.00 25.00 C ATOM 193 CD LYS A 308 12.490 -18.467 3.066 1.00 25.00 C ATOM 194 CE LYS A 308 12.080 -19.686 3.890 1.00 25.00 C ATOM 195 NZ LYS A 308 13.229 -20.649 4.058 1.00 25.00 N ATOM 0 H LYS A 308 12.302 -14.705 0.102 1.00 25.00 H new ATOM 0 HA LYS A 308 13.006 -17.452 0.628 1.00 25.00 H new ATOM 0 HB2 LYS A 308 12.454 -15.760 2.397 1.00 25.00 H new ATOM 0 HB3 LYS A 308 10.809 -15.697 1.796 1.00 25.00 H new ATOM 0 HG2 LYS A 308 10.929 -17.154 3.771 1.00 25.00 H new ATOM 0 HG3 LYS A 308 10.484 -18.095 2.361 1.00 25.00 H new ATOM 0 HD2 LYS A 308 12.903 -18.793 2.112 1.00 25.00 H new ATOM 0 HD3 LYS A 308 13.279 -17.923 3.586 1.00 25.00 H new ATOM 0 HE2 LYS A 308 11.728 -19.363 4.870 1.00 25.00 H new ATOM 0 HE3 LYS A 308 11.247 -20.193 3.403 1.00 25.00 H new ATOM 0 HZ1 LYS A 308 12.918 -21.466 4.622 1.00 25.00 H new ATOM 0 HZ2 LYS A 308 13.548 -20.975 3.123 1.00 25.00 H new ATOM 0 HZ3 LYS A 308 14.014 -20.171 4.545 1.00 25.00 H new ATOM 209 N VAL A 309 10.241 -16.762 -0.954 1.00 25.00 N ATOM 210 CA VAL A 309 9.137 -17.347 -1.717 1.00 25.00 C ATOM 211 C VAL A 309 9.662 -18.227 -2.841 1.00 25.00 C ATOM 212 O VAL A 309 9.102 -19.275 -3.105 1.00 25.00 O ATOM 213 CB VAL A 309 8.217 -16.239 -2.282 1.00 25.00 C ATOM 214 CG1 VAL A 309 7.217 -16.816 -3.254 1.00 25.00 C ATOM 215 CG2 VAL A 309 7.470 -15.557 -1.132 1.00 25.00 C ATOM 0 H VAL A 309 10.306 -15.746 -1.023 1.00 25.00 H new ATOM 0 HA VAL A 309 8.552 -17.970 -1.041 1.00 25.00 H new ATOM 0 HB VAL A 309 8.836 -15.512 -2.808 1.00 25.00 H new ATOM 0 HG11 VAL A 309 6.581 -16.018 -3.638 1.00 25.00 H new ATOM 0 HG12 VAL A 309 7.745 -17.289 -4.082 1.00 25.00 H new ATOM 0 HG13 VAL A 309 6.601 -17.558 -2.745 1.00 25.00 H new ATOM 0 HG21 VAL A 309 6.822 -14.777 -1.531 1.00 25.00 H new ATOM 0 HG22 VAL A 309 6.866 -16.294 -0.602 1.00 25.00 H new ATOM 0 HG23 VAL A 309 8.189 -15.114 -0.443 1.00 25.00 H new ATOM 225 N GLU A 310 10.787 -17.844 -3.422 1.00 25.00 N ATOM 226 CA GLU A 310 11.462 -18.648 -4.447 1.00 25.00 C ATOM 227 C GLU A 310 11.657 -20.092 -3.971 1.00 25.00 C ATOM 228 O GLU A 310 11.519 -21.035 -4.734 1.00 25.00 O ATOM 229 CB GLU A 310 12.823 -18.005 -4.730 1.00 25.00 C ATOM 230 CG GLU A 310 13.678 -18.695 -5.774 1.00 25.00 C ATOM 231 CD GLU A 310 15.054 -18.063 -5.840 1.00 25.00 C ATOM 232 OE1 GLU A 310 15.154 -16.886 -6.251 1.00 25.00 O ATOM 233 OE2 GLU A 310 16.021 -18.665 -5.324 1.00 25.00 O ATOM 0 H GLU A 310 11.264 -16.969 -3.202 1.00 25.00 H new ATOM 0 HA GLU A 310 10.853 -18.676 -5.350 1.00 25.00 H new ATOM 0 HB2 GLU A 310 12.658 -16.975 -5.047 1.00 25.00 H new ATOM 0 HB3 GLU A 310 13.385 -17.965 -3.797 1.00 25.00 H new ATOM 0 HG2 GLU A 310 13.770 -19.754 -5.534 1.00 25.00 H new ATOM 0 HG3 GLU A 310 13.195 -18.629 -6.749 1.00 25.00 H new ATOM 240 N ILE A 311 11.943 -20.250 -2.688 1.00 25.00 N ATOM 241 CA ILE A 311 12.147 -21.570 -2.104 1.00 25.00 C ATOM 242 C ILE A 311 10.811 -22.198 -1.673 1.00 25.00 C ATOM 243 O ILE A 311 10.628 -23.408 -1.750 1.00 25.00 O ATOM 244 CB ILE A 311 13.104 -21.472 -0.869 1.00 25.00 C ATOM 245 CG1 ILE A 311 14.414 -20.744 -1.256 1.00 25.00 C ATOM 246 CG2 ILE A 311 13.412 -22.875 -0.282 1.00 25.00 C ATOM 247 CD1 ILE A 311 15.267 -21.420 -2.368 1.00 25.00 C ATOM 0 H ILE A 311 12.040 -19.479 -2.028 1.00 25.00 H new ATOM 0 HA ILE A 311 12.599 -22.207 -2.865 1.00 25.00 H new ATOM 0 HB ILE A 311 12.598 -20.892 -0.097 1.00 25.00 H new ATOM 0 HG12 ILE A 311 14.163 -19.735 -1.582 1.00 25.00 H new ATOM 0 HG13 ILE A 311 15.030 -20.647 -0.362 1.00 25.00 H new ATOM 0 HG21 ILE A 311 14.079 -22.773 0.574 1.00 25.00 H new ATOM 0 HG22 ILE A 311 12.483 -23.348 0.036 1.00 25.00 H new ATOM 0 HG23 ILE A 311 13.891 -23.491 -1.043 1.00 25.00 H new ATOM 0 HD11 ILE A 311 16.159 -20.823 -2.556 1.00 25.00 H new ATOM 0 HD12 ILE A 311 15.560 -22.419 -2.045 1.00 25.00 H new ATOM 0 HD13 ILE A 311 14.680 -21.493 -3.283 1.00 25.00 H new ATOM 259 N LYS A 312 9.893 -21.382 -1.166 1.00 25.00 N ATOM 260 CA LYS A 312 8.667 -21.874 -0.593 1.00 25.00 C ATOM 261 C LYS A 312 7.615 -22.283 -1.578 1.00 25.00 C ATOM 262 O LYS A 312 6.994 -23.305 -1.399 1.00 25.00 O ATOM 263 CB LYS A 312 8.052 -20.790 0.309 1.00 25.00 C ATOM 264 CG LYS A 312 8.216 -21.027 1.804 1.00 25.00 C ATOM 265 CD LYS A 312 7.697 -22.400 2.222 1.00 25.00 C ATOM 266 CE LYS A 312 6.173 -22.577 1.979 1.00 25.00 C ATOM 267 NZ LYS A 312 5.678 -23.945 2.350 1.00 25.00 N ATOM 0 H LYS A 312 9.987 -20.367 -1.145 1.00 25.00 H new ATOM 0 HA LYS A 312 8.958 -22.772 -0.048 1.00 25.00 H new ATOM 0 HB2 LYS A 312 8.503 -19.830 0.057 1.00 25.00 H new ATOM 0 HB3 LYS A 312 6.988 -20.711 0.083 1.00 25.00 H new ATOM 0 HG2 LYS A 312 9.269 -20.940 2.072 1.00 25.00 H new ATOM 0 HG3 LYS A 312 7.681 -20.253 2.355 1.00 25.00 H new ATOM 0 HD2 LYS A 312 8.238 -23.169 1.671 1.00 25.00 H new ATOM 0 HD3 LYS A 312 7.910 -22.556 3.280 1.00 25.00 H new ATOM 0 HE2 LYS A 312 5.629 -21.830 2.557 1.00 25.00 H new ATOM 0 HE3 LYS A 312 5.953 -22.389 0.928 1.00 25.00 H new ATOM 0 HZ1 LYS A 312 4.640 -23.934 2.412 1.00 25.00 H new ATOM 0 HZ2 LYS A 312 5.974 -24.630 1.625 1.00 25.00 H new ATOM 0 HZ3 LYS A 312 6.077 -24.221 3.270 1.00 25.00 H new ATOM 281 N GLU A 313 7.370 -21.450 -2.570 1.00 25.00 N ATOM 282 CA GLU A 313 6.278 -21.693 -3.495 1.00 25.00 C ATOM 283 C GLU A 313 6.593 -22.929 -4.328 1.00 25.00 C ATOM 284 O GLU A 313 5.754 -23.792 -4.538 1.00 25.00 O ATOM 285 CB GLU A 313 6.088 -20.485 -4.382 1.00 25.00 C ATOM 286 CG GLU A 313 5.134 -19.465 -3.771 1.00 25.00 C ATOM 287 CD GLU A 313 3.735 -19.975 -3.526 1.00 25.00 C ATOM 288 OE1 GLU A 313 3.048 -20.367 -4.482 1.00 25.00 O ATOM 289 OE2 GLU A 313 3.296 -19.882 -2.355 1.00 25.00 O ATOM 0 H GLU A 313 7.908 -20.604 -2.757 1.00 25.00 H new ATOM 0 HA GLU A 313 5.354 -21.866 -2.944 1.00 25.00 H new ATOM 0 HB2 GLU A 313 7.054 -20.014 -4.562 1.00 25.00 H new ATOM 0 HB3 GLU A 313 5.703 -20.805 -5.351 1.00 25.00 H new ATOM 0 HG2 GLU A 313 5.551 -19.120 -2.825 1.00 25.00 H new ATOM 0 HG3 GLU A 313 5.080 -18.599 -4.430 1.00 25.00 H new ATOM 296 N LEU A 314 7.848 -23.030 -4.741 1.00 25.00 N ATOM 297 CA LEU A 314 8.317 -24.172 -5.522 1.00 25.00 C ATOM 298 C LEU A 314 8.339 -25.427 -4.659 1.00 25.00 C ATOM 299 O LEU A 314 8.237 -26.539 -5.161 1.00 25.00 O ATOM 300 CB LEU A 314 9.733 -23.907 -6.060 1.00 25.00 C ATOM 301 CG LEU A 314 9.899 -23.133 -7.386 1.00 25.00 C ATOM 302 CD1 LEU A 314 9.332 -23.943 -8.554 1.00 25.00 C ATOM 303 CD2 LEU A 314 9.248 -21.743 -7.365 1.00 25.00 C ATOM 0 H LEU A 314 8.566 -22.332 -4.548 1.00 25.00 H new ATOM 0 HA LEU A 314 7.633 -24.317 -6.358 1.00 25.00 H new ATOM 0 HB2 LEU A 314 10.280 -23.362 -5.291 1.00 25.00 H new ATOM 0 HB3 LEU A 314 10.226 -24.872 -6.179 1.00 25.00 H new ATOM 0 HG LEU A 314 10.971 -22.984 -7.516 1.00 25.00 H new ATOM 0 HD11 LEU A 314 9.457 -23.382 -9.480 1.00 25.00 H new ATOM 0 HD12 LEU A 314 9.862 -24.892 -8.630 1.00 25.00 H new ATOM 0 HD13 LEU A 314 8.272 -24.132 -8.385 1.00 25.00 H new ATOM 0 HD21 LEU A 314 9.402 -21.254 -8.327 1.00 25.00 H new ATOM 0 HD22 LEU A 314 8.179 -21.845 -7.177 1.00 25.00 H new ATOM 0 HD23 LEU A 314 9.700 -21.142 -6.576 1.00 25.00 H new ATOM 315 N GLY A 315 8.462 -25.238 -3.353 1.00 25.00 N ATOM 316 CA GLY A 315 8.483 -26.359 -2.432 1.00 25.00 C ATOM 317 C GLY A 315 7.157 -27.085 -2.371 1.00 25.00 C ATOM 318 O GLY A 315 7.128 -28.289 -2.142 1.00 25.00 O ATOM 0 H GLY A 315 8.548 -24.323 -2.911 1.00 25.00 H new ATOM 0 HA2 GLY A 315 9.263 -27.058 -2.734 1.00 25.00 H new ATOM 0 HA3 GLY A 315 8.744 -26.002 -1.436 1.00 25.00 H new ATOM 322 N GLU A 316 6.059 -26.374 -2.590 1.00 25.00 N ATOM 323 CA GLU A 316 4.740 -27.005 -2.543 1.00 25.00 C ATOM 324 C GLU A 316 4.564 -27.841 -3.800 1.00 25.00 C ATOM 325 O GLU A 316 4.069 -28.963 -3.758 1.00 25.00 O ATOM 326 CB GLU A 316 3.613 -25.962 -2.458 1.00 25.00 C ATOM 327 CG GLU A 316 3.902 -24.723 -1.594 1.00 25.00 C ATOM 328 CD GLU A 316 4.165 -25.025 -0.108 1.00 25.00 C ATOM 329 OE1 GLU A 316 5.200 -25.653 0.229 1.00 25.00 O ATOM 330 OE2 GLU A 316 3.413 -24.496 0.747 1.00 25.00 O ATOM 0 H GLU A 316 6.050 -25.376 -2.799 1.00 25.00 H new ATOM 0 HA GLU A 316 4.681 -27.627 -1.650 1.00 25.00 H new ATOM 0 HB2 GLU A 316 3.377 -25.628 -3.469 1.00 25.00 H new ATOM 0 HB3 GLU A 316 2.721 -26.452 -2.068 1.00 25.00 H new ATOM 0 HG2 GLU A 316 4.768 -24.204 -2.005 1.00 25.00 H new ATOM 0 HG3 GLU A 316 3.056 -24.039 -1.668 1.00 25.00 H new ATOM 337 N LEU A 317 5.022 -27.294 -4.918 1.00 25.00 N ATOM 338 CA LEU A 317 4.896 -27.966 -6.211 1.00 25.00 C ATOM 339 C LEU A 317 5.735 -29.233 -6.221 1.00 25.00 C ATOM 340 O LEU A 317 5.417 -30.199 -6.895 1.00 25.00 O ATOM 341 CB LEU A 317 5.373 -27.057 -7.354 1.00 25.00 C ATOM 342 CG LEU A 317 4.863 -25.605 -7.420 1.00 25.00 C ATOM 343 CD1 LEU A 317 5.218 -25.017 -8.785 1.00 25.00 C ATOM 344 CD2 LEU A 317 3.367 -25.469 -7.170 1.00 25.00 C ATOM 0 H LEU A 317 5.485 -26.386 -4.959 1.00 25.00 H new ATOM 0 HA LEU A 317 3.843 -28.207 -6.359 1.00 25.00 H new ATOM 0 HB2 LEU A 317 6.462 -27.021 -7.313 1.00 25.00 H new ATOM 0 HB3 LEU A 317 5.106 -27.542 -8.293 1.00 25.00 H new ATOM 0 HG LEU A 317 5.354 -25.056 -6.616 1.00 25.00 H new ATOM 0 HD11 LEU A 317 4.861 -23.989 -8.842 1.00 25.00 H new ATOM 0 HD12 LEU A 317 6.300 -25.034 -8.918 1.00 25.00 H new ATOM 0 HD13 LEU A 317 4.747 -25.609 -9.570 1.00 25.00 H new ATOM 0 HD21 LEU A 317 3.082 -24.419 -7.232 1.00 25.00 H new ATOM 0 HD22 LEU A 317 2.819 -26.039 -7.920 1.00 25.00 H new ATOM 0 HD23 LEU A 317 3.128 -25.852 -6.178 1.00 25.00 H new ATOM 356 N ARG A 318 6.816 -29.209 -5.449 1.00 25.00 N ATOM 357 CA ARG A 318 7.759 -30.329 -5.351 1.00 25.00 C ATOM 358 C ARG A 318 7.139 -31.588 -4.746 1.00 25.00 C ATOM 359 O ARG A 318 7.684 -32.676 -4.906 1.00 25.00 O ATOM 360 CB ARG A 318 9.013 -29.893 -4.576 1.00 25.00 C ATOM 361 CG ARG A 318 10.206 -30.865 -4.635 1.00 25.00 C ATOM 362 CD ARG A 318 10.540 -31.308 -6.066 1.00 25.00 C ATOM 363 NE ARG A 318 11.888 -31.898 -6.148 1.00 25.00 N ATOM 364 CZ ARG A 318 12.307 -32.723 -7.102 1.00 25.00 C ATOM 365 NH1 ARG A 318 11.544 -33.142 -8.073 1.00 25.00 N ATOM 366 NH2 ARG A 318 13.542 -33.146 -7.069 1.00 25.00 N ATOM 0 H ARG A 318 7.069 -28.409 -4.868 1.00 25.00 H new ATOM 0 HA ARG A 318 8.043 -30.601 -6.368 1.00 25.00 H new ATOM 0 HB2 ARG A 318 9.337 -28.926 -4.960 1.00 25.00 H new ATOM 0 HB3 ARG A 318 8.739 -29.746 -3.531 1.00 25.00 H new ATOM 0 HG2 ARG A 318 11.081 -30.387 -4.194 1.00 25.00 H new ATOM 0 HG3 ARG A 318 9.983 -31.744 -4.030 1.00 25.00 H new ATOM 0 HD2 ARG A 318 9.802 -32.035 -6.404 1.00 25.00 H new ATOM 0 HD3 ARG A 318 10.475 -30.452 -6.738 1.00 25.00 H new ATOM 0 HE ARG A 318 12.553 -31.654 -5.414 1.00 25.00 H new ATOM 0 HH11 ARG A 318 10.572 -32.836 -8.126 1.00 25.00 H new ATOM 0 HH12 ARG A 318 11.919 -33.775 -8.779 1.00 25.00 H new ATOM 0 HH21 ARG A 318 14.165 -32.843 -6.321 1.00 25.00 H new ATOM 0 HH22 ARG A 318 13.884 -33.780 -7.792 1.00 25.00 H new ATOM 380 N LYS A 319 6.022 -31.452 -4.038 1.00 25.00 N ATOM 381 CA LYS A 319 5.320 -32.636 -3.525 1.00 25.00 C ATOM 382 C LYS A 319 4.929 -33.505 -4.717 1.00 25.00 C ATOM 383 O LYS A 319 5.016 -34.729 -4.653 1.00 25.00 O ATOM 384 CB LYS A 319 4.057 -32.240 -2.761 1.00 25.00 C ATOM 385 CG LYS A 319 3.390 -33.425 -2.071 1.00 25.00 C ATOM 386 CD LYS A 319 1.942 -33.125 -1.770 1.00 25.00 C ATOM 387 CE LYS A 319 1.245 -34.296 -1.125 1.00 25.00 C ATOM 388 NZ LYS A 319 1.803 -34.550 0.233 1.00 25.00 N ATOM 0 H LYS A 319 5.587 -30.559 -3.807 1.00 25.00 H new ATOM 0 HA LYS A 319 5.976 -33.174 -2.841 1.00 25.00 H new ATOM 0 HB2 LYS A 319 4.310 -31.486 -2.015 1.00 25.00 H new ATOM 0 HB3 LYS A 319 3.349 -31.781 -3.451 1.00 25.00 H new ATOM 0 HG2 LYS A 319 3.458 -34.308 -2.707 1.00 25.00 H new ATOM 0 HG3 LYS A 319 3.918 -33.657 -1.146 1.00 25.00 H new ATOM 0 HD2 LYS A 319 1.881 -32.259 -1.111 1.00 25.00 H new ATOM 0 HD3 LYS A 319 1.427 -32.860 -2.693 1.00 25.00 H new ATOM 0 HE2 LYS A 319 0.176 -34.097 -1.054 1.00 25.00 H new ATOM 0 HE3 LYS A 319 1.363 -35.184 -1.746 1.00 25.00 H new ATOM 0 HZ1 LYS A 319 1.197 -35.230 0.736 1.00 25.00 H new ATOM 0 HZ2 LYS A 319 2.763 -34.940 0.146 1.00 25.00 H new ATOM 0 HZ3 LYS A 319 1.839 -33.658 0.766 1.00 25.00 H new ATOM 402 N GLU A 320 4.556 -32.819 -5.792 1.00 25.00 N ATOM 403 CA GLU A 320 4.195 -33.394 -7.092 1.00 25.00 C ATOM 404 C GLU A 320 2.951 -34.321 -7.108 1.00 25.00 C ATOM 405 O GLU A 320 2.624 -34.984 -6.123 1.00 25.00 O ATOM 406 CB GLU A 320 5.421 -34.088 -7.730 1.00 25.00 C ATOM 407 CG GLU A 320 6.464 -33.083 -8.225 1.00 25.00 C ATOM 408 CD GLU A 320 7.728 -33.732 -8.766 1.00 25.00 C ATOM 409 OE1 GLU A 320 7.645 -34.789 -9.431 1.00 25.00 O ATOM 410 OE2 GLU A 320 8.823 -33.148 -8.558 1.00 25.00 O ATOM 0 H GLU A 320 4.493 -31.801 -5.785 1.00 25.00 H new ATOM 0 HA GLU A 320 3.886 -32.541 -7.696 1.00 25.00 H new ATOM 0 HB2 GLU A 320 5.880 -34.754 -6.999 1.00 25.00 H new ATOM 0 HB3 GLU A 320 5.092 -34.708 -8.564 1.00 25.00 H new ATOM 0 HG2 GLU A 320 6.020 -32.466 -9.006 1.00 25.00 H new ATOM 0 HG3 GLU A 320 6.731 -32.416 -7.405 1.00 25.00 H new ATOM 417 N PRO A 321 2.225 -34.370 -8.246 1.00 25.00 N ATOM 418 CA PRO A 321 2.454 -33.633 -9.498 1.00 25.00 C ATOM 419 C PRO A 321 2.091 -32.138 -9.436 1.00 25.00 C ATOM 420 O PRO A 321 2.843 -31.306 -9.919 1.00 25.00 O ATOM 421 CB PRO A 321 1.574 -34.380 -10.501 1.00 25.00 C ATOM 422 CG PRO A 321 0.446 -34.913 -9.688 1.00 25.00 C ATOM 423 CD PRO A 321 1.051 -35.261 -8.346 1.00 25.00 C ATOM 0 HA PRO A 321 3.513 -33.613 -9.756 1.00 25.00 H new ATOM 0 HB2 PRO A 321 1.216 -33.715 -11.287 1.00 25.00 H new ATOM 0 HB3 PRO A 321 2.125 -35.184 -10.990 1.00 25.00 H new ATOM 0 HG2 PRO A 321 -0.347 -34.172 -9.582 1.00 25.00 H new ATOM 0 HG3 PRO A 321 0.002 -35.790 -10.159 1.00 25.00 H new ATOM 0 HD2 PRO A 321 0.347 -35.087 -7.533 1.00 25.00 H new ATOM 0 HD3 PRO A 321 1.340 -36.311 -8.298 1.00 25.00 H new ATOM 431 N SER A 322 0.913 -31.811 -8.920 1.00 25.00 N ATOM 432 CA SER A 322 0.464 -30.420 -8.832 1.00 25.00 C ATOM 433 C SER A 322 0.893 -29.663 -7.573 1.00 25.00 C ATOM 434 O SER A 322 1.467 -28.583 -7.654 1.00 25.00 O ATOM 435 CB SER A 322 -1.057 -30.377 -8.938 1.00 25.00 C ATOM 436 OG SER A 322 -1.483 -31.085 -10.093 1.00 25.00 O ATOM 0 H SER A 322 0.246 -32.490 -8.554 1.00 25.00 H new ATOM 0 HA SER A 322 0.955 -29.909 -9.661 1.00 25.00 H new ATOM 0 HB2 SER A 322 -1.505 -30.816 -8.046 1.00 25.00 H new ATOM 0 HB3 SER A 322 -1.397 -29.343 -8.989 1.00 25.00 H new ATOM 0 HG SER A 322 -2.461 -31.054 -10.153 1.00 25.00 H new ATOM 442 N LEU A 323 0.500 -30.211 -6.427 1.00 25.00 N ATOM 443 CA LEU A 323 0.633 -29.585 -5.109 1.00 25.00 C ATOM 444 C LEU A 323 0.508 -30.741 -4.140 1.00 25.00 C ATOM 445 O LEU A 323 0.132 -31.830 -4.643 1.00 25.00 O ATOM 446 CB LEU A 323 -0.531 -28.609 -4.830 1.00 25.00 C ATOM 447 CG LEU A 323 -0.500 -27.201 -5.438 1.00 25.00 C ATOM 448 CD1 LEU A 323 -1.832 -26.505 -5.167 1.00 25.00 C ATOM 449 CD2 LEU A 323 0.636 -26.389 -4.843 1.00 25.00 C ATOM 450 OXT LEU A 323 0.666 -30.552 -2.918 1.00 25.00 O ATOM 0 H LEU A 323 0.066 -31.133 -6.385 1.00 25.00 H new ATOM 0 HA LEU A 323 1.564 -29.024 -5.030 1.00 25.00 H new ATOM 0 HB2 LEU A 323 -1.449 -29.090 -5.168 1.00 25.00 H new ATOM 0 HB3 LEU A 323 -0.610 -28.496 -3.749 1.00 25.00 H new ATOM 0 HG LEU A 323 -0.340 -27.282 -6.513 1.00 25.00 H new ATOM 0 HD11 LEU A 323 -1.814 -25.504 -5.598 1.00 25.00 H new ATOM 0 HD12 LEU A 323 -2.641 -27.079 -5.618 1.00 25.00 H new ATOM 0 HD13 LEU A 323 -1.993 -26.434 -4.091 1.00 25.00 H new ATOM 0 HD21 LEU A 323 0.642 -25.393 -5.286 1.00 25.00 H new ATOM 0 HD22 LEU A 323 0.498 -26.306 -3.765 1.00 25.00 H new ATOM 0 HD23 LEU A 323 1.585 -26.884 -5.050 1.00 25.00 H new