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 Single : A 299 ASN :FLIP amide:sc= 0.458 F(o=-0.13,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+ -147:sc= 0.731 (180deg=-0.48!) USER MOD Single : A 308 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 312 LYS NZ :NH3+ 138:sc= 0.573 (180deg=-0.296) USER MOD Single : A 319 LYS NZ :NH3+ 176:sc= 1.72 (180deg=1.69) USER MOD Single : A 322 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N ASN A 299 14.802 -1.277 0.223 1.00 25.00 N ATOM 18 CA ASN A 299 14.313 -2.310 -0.705 1.00 25.00 C ATOM 19 C ASN A 299 14.620 -3.741 -0.271 1.00 25.00 C ATOM 20 O ASN A 299 13.832 -4.651 -0.520 1.00 25.00 O ATOM 21 CB ASN A 299 14.882 -2.066 -2.114 1.00 25.00 C ATOM 22 CG ASN A 299 14.353 -0.790 -2.745 1.00 25.00 C ATOM 23 OD1 ASN A 299 14.451 -0.689 -4.039 1.00 25.00 O flip ATOM 24 ND2 ASN A 299 13.868 0.095 -2.055 1.00 25.00 N flip ATOM 0 HA ASN A 299 13.227 -2.217 -0.704 1.00 25.00 H new ATOM 0 HB2 ASN A 299 15.969 -2.016 -2.059 1.00 25.00 H new ATOM 0 HB3 ASN A 299 14.634 -2.913 -2.754 1.00 25.00 H new ATOM 0 HD21 ASN A 299 13.809 -0.022 -1.043 1.00 25.00 H new ATOM 0 HD22 ASN A 299 13.523 0.950 -2.491 1.00 25.00 H new ATOM 31 N ARG A 300 15.737 -3.935 0.415 1.00 25.00 N ATOM 32 CA ARG A 300 16.129 -5.274 0.883 1.00 25.00 C ATOM 33 C ARG A 300 15.074 -5.900 1.807 1.00 25.00 C ATOM 34 O ARG A 300 14.874 -7.107 1.787 1.00 25.00 O ATOM 35 CB ARG A 300 17.503 -5.216 1.580 1.00 25.00 C ATOM 36 CG ARG A 300 18.151 -6.600 1.782 1.00 25.00 C ATOM 37 CD ARG A 300 19.671 -6.519 2.043 1.00 25.00 C ATOM 38 NE ARG A 300 20.019 -6.018 3.389 1.00 25.00 N ATOM 39 CZ ARG A 300 21.261 -5.871 3.852 1.00 25.00 C ATOM 40 NH1 ARG A 300 22.318 -6.155 3.131 1.00 25.00 N ATOM 41 NH2 ARG A 300 21.442 -5.429 5.066 1.00 25.00 N ATOM 0 H ARG A 300 16.391 -3.192 0.663 1.00 25.00 H new ATOM 0 HA ARG A 300 16.203 -5.917 0.006 1.00 25.00 H new ATOM 0 HB2 ARG A 300 18.174 -4.592 0.990 1.00 25.00 H new ATOM 0 HB3 ARG A 300 17.389 -4.732 2.550 1.00 25.00 H new ATOM 0 HG2 ARG A 300 17.670 -7.102 2.621 1.00 25.00 H new ATOM 0 HG3 ARG A 300 17.971 -7.212 0.898 1.00 25.00 H new ATOM 0 HD2 ARG A 300 20.106 -7.509 1.910 1.00 25.00 H new ATOM 0 HD3 ARG A 300 20.125 -5.869 1.295 1.00 25.00 H new ATOM 0 HE ARG A 300 19.251 -5.765 4.011 1.00 25.00 H new ATOM 0 HH11 ARG A 300 22.207 -6.502 2.178 1.00 25.00 H new ATOM 0 HH12 ARG A 300 23.251 -6.029 3.522 1.00 25.00 H new ATOM 0 HH21 ARG A 300 20.638 -5.200 5.650 1.00 25.00 H new ATOM 0 HH22 ARG A 300 22.387 -5.313 5.431 1.00 25.00 H new ATOM 55 N ARG A 301 14.365 -5.081 2.578 1.00 25.00 N ATOM 56 CA ARG A 301 13.325 -5.599 3.482 1.00 25.00 C ATOM 57 C ARG A 301 12.137 -6.156 2.694 1.00 25.00 C ATOM 58 O ARG A 301 11.580 -7.183 3.057 1.00 25.00 O ATOM 59 CB ARG A 301 12.862 -4.491 4.445 1.00 25.00 C ATOM 60 CG ARG A 301 11.957 -4.969 5.601 1.00 25.00 C ATOM 61 CD ARG A 301 12.733 -5.769 6.659 1.00 25.00 C ATOM 62 NE ARG A 301 11.887 -6.094 7.826 1.00 25.00 N ATOM 63 CZ ARG A 301 12.288 -6.758 8.908 1.00 25.00 C ATOM 64 NH1 ARG A 301 13.510 -7.214 9.041 1.00 25.00 N ATOM 65 NH2 ARG A 301 11.440 -6.970 9.875 1.00 25.00 N ATOM 0 H ARG A 301 14.483 -4.068 2.601 1.00 25.00 H new ATOM 0 HA ARG A 301 13.753 -6.416 4.063 1.00 25.00 H new ATOM 0 HB2 ARG A 301 13.742 -4.007 4.869 1.00 25.00 H new ATOM 0 HB3 ARG A 301 12.326 -3.734 3.873 1.00 25.00 H new ATOM 0 HG2 ARG A 301 11.489 -4.105 6.073 1.00 25.00 H new ATOM 0 HG3 ARG A 301 11.154 -5.587 5.199 1.00 25.00 H new ATOM 0 HD2 ARG A 301 13.110 -6.690 6.215 1.00 25.00 H new ATOM 0 HD3 ARG A 301 13.600 -5.195 6.986 1.00 25.00 H new ATOM 0 HE ARG A 301 10.916 -5.784 7.801 1.00 25.00 H new ATOM 0 HH11 ARG A 301 14.194 -7.065 8.299 1.00 25.00 H new ATOM 0 HH12 ARG A 301 13.777 -7.718 9.887 1.00 25.00 H new ATOM 0 HH21 ARG A 301 10.482 -6.629 9.797 1.00 25.00 H new ATOM 0 HH22 ARG A 301 11.734 -7.477 10.709 1.00 25.00 H new ATOM 79 N LYS A 302 11.774 -5.498 1.598 1.00 25.00 N ATOM 80 CA LYS A 302 10.692 -5.992 0.731 1.00 25.00 C ATOM 81 C LYS A 302 11.150 -7.270 0.052 1.00 25.00 C ATOM 82 O LYS A 302 10.460 -8.277 0.091 1.00 25.00 O ATOM 83 CB LYS A 302 10.335 -4.953 -0.345 1.00 25.00 C ATOM 84 CG LYS A 302 9.331 -3.883 0.094 1.00 25.00 C ATOM 85 CD LYS A 302 7.885 -4.317 -0.199 1.00 25.00 C ATOM 86 CE LYS A 302 6.899 -3.163 0.030 1.00 25.00 C ATOM 87 NZ LYS A 302 5.486 -3.537 -0.359 1.00 25.00 N ATOM 0 H LYS A 302 12.204 -4.628 1.285 1.00 25.00 H new ATOM 0 HA LYS A 302 9.809 -6.178 1.343 1.00 25.00 H new ATOM 0 HB2 LYS A 302 11.251 -4.459 -0.669 1.00 25.00 H new ATOM 0 HB3 LYS A 302 9.930 -5.475 -1.212 1.00 25.00 H new ATOM 0 HG2 LYS A 302 9.446 -3.690 1.161 1.00 25.00 H new ATOM 0 HG3 LYS A 302 9.544 -2.948 -0.424 1.00 25.00 H new ATOM 0 HD2 LYS A 302 7.809 -4.664 -1.229 1.00 25.00 H new ATOM 0 HD3 LYS A 302 7.619 -5.158 0.441 1.00 25.00 H new ATOM 0 HE2 LYS A 302 6.920 -2.871 1.080 1.00 25.00 H new ATOM 0 HE3 LYS A 302 7.216 -2.295 -0.548 1.00 25.00 H new ATOM 0 HZ1 LYS A 302 4.854 -2.729 -0.188 1.00 25.00 H new ATOM 0 HZ2 LYS A 302 5.459 -3.791 -1.367 1.00 25.00 H new ATOM 0 HZ3 LYS A 302 5.172 -4.349 0.211 1.00 25.00 H new ATOM 115 N GLY A 304 13.376 -9.481 0.779 1.00 25.00 N ATOM 116 CA GLY A 304 13.528 -10.631 1.654 1.00 25.00 C ATOM 117 C GLY A 304 12.260 -11.437 1.840 1.00 25.00 C ATOM 118 O GLY A 304 12.327 -12.643 2.039 1.00 25.00 O ATOM 0 HA2 GLY A 304 14.304 -11.282 1.250 1.00 25.00 H new ATOM 0 HA3 GLY A 304 13.875 -10.289 2.629 1.00 25.00 H new ATOM 122 N LYS A 305 11.098 -10.802 1.741 1.00 25.00 N ATOM 123 CA LYS A 305 9.839 -11.549 1.865 1.00 25.00 C ATOM 124 C LYS A 305 9.662 -12.451 0.660 1.00 25.00 C ATOM 125 O LYS A 305 9.527 -13.655 0.793 1.00 25.00 O ATOM 126 CB LYS A 305 8.618 -10.626 1.952 1.00 25.00 C ATOM 127 CG LYS A 305 8.271 -10.185 3.373 1.00 25.00 C ATOM 128 CD LYS A 305 6.976 -9.343 3.424 1.00 25.00 C ATOM 129 CE LYS A 305 5.700 -10.134 3.024 1.00 25.00 C ATOM 130 NZ LYS A 305 5.377 -11.283 3.955 1.00 25.00 N ATOM 0 H LYS A 305 10.994 -9.800 1.580 1.00 25.00 H new ATOM 0 HA LYS A 305 9.902 -12.127 2.787 1.00 25.00 H new ATOM 0 HB2 LYS A 305 8.801 -9.741 1.343 1.00 25.00 H new ATOM 0 HB3 LYS A 305 7.757 -11.138 1.521 1.00 25.00 H new ATOM 0 HG2 LYS A 305 8.155 -11.065 4.006 1.00 25.00 H new ATOM 0 HG3 LYS A 305 9.097 -9.603 3.783 1.00 25.00 H new ATOM 0 HD2 LYS A 305 6.848 -8.950 4.433 1.00 25.00 H new ATOM 0 HD3 LYS A 305 7.084 -8.486 2.760 1.00 25.00 H new ATOM 0 HE2 LYS A 305 4.852 -9.449 2.999 1.00 25.00 H new ATOM 0 HE3 LYS A 305 5.826 -10.522 2.013 1.00 25.00 H new ATOM 0 HZ1 LYS A 305 4.515 -11.764 3.627 1.00 25.00 H new ATOM 0 HZ2 LYS A 305 6.169 -11.957 3.962 1.00 25.00 H new ATOM 0 HZ3 LYS A 305 5.225 -10.918 4.917 1.00 25.00 H new ATOM 144 N TYR A 306 9.635 -11.846 -0.512 1.00 25.00 N ATOM 145 CA TYR A 306 9.348 -12.569 -1.743 1.00 25.00 C ATOM 146 C TYR A 306 10.401 -13.609 -2.069 1.00 25.00 C ATOM 147 O TYR A 306 10.082 -14.678 -2.547 1.00 25.00 O ATOM 148 CB TYR A 306 9.228 -11.580 -2.892 1.00 25.00 C ATOM 149 CG TYR A 306 8.327 -10.422 -2.544 1.00 25.00 C ATOM 150 CD1 TYR A 306 6.939 -10.609 -2.379 1.00 25.00 C ATOM 151 CD2 TYR A 306 8.861 -9.133 -2.351 1.00 25.00 C ATOM 152 CE1 TYR A 306 6.091 -9.516 -2.039 1.00 25.00 C ATOM 153 CE2 TYR A 306 8.017 -8.038 -2.009 1.00 25.00 C ATOM 154 CZ TYR A 306 6.641 -8.242 -1.861 1.00 25.00 C ATOM 155 OH TYR A 306 5.824 -7.187 -1.526 1.00 25.00 O ATOM 0 H TYR A 306 9.809 -10.849 -0.641 1.00 25.00 H new ATOM 0 HA TYR A 306 8.408 -13.102 -1.598 1.00 25.00 H new ATOM 0 HB2 TYR A 306 10.217 -11.205 -3.153 1.00 25.00 H new ATOM 0 HB3 TYR A 306 8.839 -12.091 -3.772 1.00 25.00 H new ATOM 0 HD1 TYR A 306 6.514 -11.593 -2.512 1.00 25.00 H new ATOM 0 HD2 TYR A 306 9.923 -8.973 -2.464 1.00 25.00 H new ATOM 0 HE1 TYR A 306 5.029 -9.670 -1.919 1.00 25.00 H new ATOM 0 HE2 TYR A 306 8.438 -7.054 -1.864 1.00 25.00 H new ATOM 0 HH TYR A 306 6.361 -6.372 -1.438 1.00 25.00 H new ATOM 165 N LYS A 307 11.658 -13.324 -1.769 1.00 25.00 N ATOM 166 CA LYS A 307 12.714 -14.290 -2.037 1.00 25.00 C ATOM 167 C LYS A 307 12.582 -15.530 -1.150 1.00 25.00 C ATOM 168 O LYS A 307 12.946 -16.621 -1.550 1.00 25.00 O ATOM 169 CB LYS A 307 14.086 -13.624 -1.883 1.00 25.00 C ATOM 170 CG LYS A 307 15.256 -14.435 -2.485 1.00 25.00 C ATOM 171 CD LYS A 307 15.123 -14.613 -4.009 1.00 25.00 C ATOM 172 CE LYS A 307 16.242 -15.486 -4.573 1.00 25.00 C ATOM 173 NZ LYS A 307 16.058 -15.715 -6.050 1.00 25.00 N ATOM 0 H LYS A 307 11.970 -12.449 -1.348 1.00 25.00 H new ATOM 0 HA LYS A 307 12.614 -14.633 -3.067 1.00 25.00 H new ATOM 0 HB2 LYS A 307 14.056 -12.643 -2.358 1.00 25.00 H new ATOM 0 HB3 LYS A 307 14.280 -13.459 -0.823 1.00 25.00 H new ATOM 0 HG2 LYS A 307 16.197 -13.932 -2.261 1.00 25.00 H new ATOM 0 HG3 LYS A 307 15.298 -15.415 -2.010 1.00 25.00 H new ATOM 0 HD2 LYS A 307 14.158 -15.063 -4.240 1.00 25.00 H new ATOM 0 HD3 LYS A 307 15.143 -13.637 -4.493 1.00 25.00 H new ATOM 0 HE2 LYS A 307 17.205 -15.009 -4.393 1.00 25.00 H new ATOM 0 HE3 LYS A 307 16.258 -16.444 -4.052 1.00 25.00 H new ATOM 0 HZ1 LYS A 307 16.411 -16.660 -6.301 1.00 25.00 H new ATOM 0 HZ2 LYS A 307 15.048 -15.648 -6.289 1.00 25.00 H new ATOM 0 HZ3 LYS A 307 16.588 -14.995 -6.582 1.00 25.00 H new ATOM 187 N LYS A 308 12.006 -15.384 0.038 1.00 25.00 N ATOM 188 CA LYS A 308 11.714 -16.562 0.862 1.00 25.00 C ATOM 189 C LYS A 308 10.473 -17.283 0.363 1.00 25.00 C ATOM 190 O LYS A 308 10.375 -18.496 0.494 1.00 25.00 O ATOM 191 CB LYS A 308 11.558 -16.197 2.341 1.00 25.00 C ATOM 192 CG LYS A 308 12.890 -15.882 3.068 1.00 25.00 C ATOM 193 CD LYS A 308 13.928 -17.038 3.018 1.00 25.00 C ATOM 194 CE LYS A 308 13.408 -18.345 3.646 1.00 25.00 C ATOM 195 NZ LYS A 308 14.437 -19.443 3.563 1.00 25.00 N ATOM 0 H LYS A 308 11.736 -14.490 0.448 1.00 25.00 H new ATOM 0 HA LYS A 308 12.567 -17.234 0.772 1.00 25.00 H new ATOM 0 HB2 LYS A 308 10.901 -15.331 2.421 1.00 25.00 H new ATOM 0 HB3 LYS A 308 11.064 -17.021 2.856 1.00 25.00 H new ATOM 0 HG2 LYS A 308 13.333 -14.991 2.623 1.00 25.00 H new ATOM 0 HG3 LYS A 308 12.676 -15.645 4.110 1.00 25.00 H new ATOM 0 HD2 LYS A 308 14.204 -17.225 1.980 1.00 25.00 H new ATOM 0 HD3 LYS A 308 14.834 -16.727 3.538 1.00 25.00 H new ATOM 0 HE2 LYS A 308 13.144 -18.169 4.689 1.00 25.00 H new ATOM 0 HE3 LYS A 308 12.497 -18.658 3.136 1.00 25.00 H new ATOM 0 HZ1 LYS A 308 14.056 -20.309 3.994 1.00 25.00 H new ATOM 0 HZ2 LYS A 308 14.670 -19.626 2.566 1.00 25.00 H new ATOM 0 HZ3 LYS A 308 15.297 -19.152 4.071 1.00 25.00 H new ATOM 209 N VAL A 309 9.551 -16.550 -0.237 1.00 25.00 N ATOM 210 CA VAL A 309 8.351 -17.154 -0.815 1.00 25.00 C ATOM 211 C VAL A 309 8.716 -17.932 -2.062 1.00 25.00 C ATOM 212 O VAL A 309 8.174 -18.973 -2.289 1.00 25.00 O ATOM 213 CB VAL A 309 7.269 -16.090 -1.119 1.00 25.00 C ATOM 214 CG1 VAL A 309 6.092 -16.681 -1.894 1.00 25.00 C ATOM 215 CG2 VAL A 309 6.765 -15.537 0.174 1.00 25.00 C ATOM 0 H VAL A 309 9.605 -15.537 -0.339 1.00 25.00 H new ATOM 0 HA VAL A 309 7.926 -17.841 -0.083 1.00 25.00 H new ATOM 0 HB VAL A 309 7.721 -15.311 -1.733 1.00 25.00 H new ATOM 0 HG11 VAL A 309 5.355 -15.901 -2.087 1.00 25.00 H new ATOM 0 HG12 VAL A 309 6.447 -17.087 -2.841 1.00 25.00 H new ATOM 0 HG13 VAL A 309 5.633 -17.477 -1.307 1.00 25.00 H new ATOM 0 HG21 VAL A 309 6.001 -14.785 -0.025 1.00 25.00 H new ATOM 0 HG22 VAL A 309 6.336 -16.341 0.771 1.00 25.00 H new ATOM 0 HG23 VAL A 309 7.590 -15.080 0.721 1.00 25.00 H new ATOM 225 N GLU A 310 9.724 -17.498 -2.797 1.00 25.00 N ATOM 226 CA GLU A 310 10.216 -18.256 -3.954 1.00 25.00 C ATOM 227 C GLU A 310 10.544 -19.707 -3.563 1.00 25.00 C ATOM 228 O GLU A 310 10.307 -20.640 -4.322 1.00 25.00 O ATOM 229 CB GLU A 310 11.468 -17.559 -4.488 1.00 25.00 C ATOM 230 CG GLU A 310 12.057 -18.144 -5.755 1.00 25.00 C ATOM 231 CD GLU A 310 13.344 -17.431 -6.129 1.00 25.00 C ATOM 232 OE1 GLU A 310 13.294 -16.214 -6.424 1.00 25.00 O ATOM 233 OE2 GLU A 310 14.431 -18.038 -6.019 1.00 25.00 O ATOM 0 H GLU A 310 10.224 -16.626 -2.621 1.00 25.00 H new ATOM 0 HA GLU A 310 9.444 -18.288 -4.722 1.00 25.00 H new ATOM 0 HB2 GLU A 310 11.228 -16.512 -4.671 1.00 25.00 H new ATOM 0 HB3 GLU A 310 12.232 -17.580 -3.711 1.00 25.00 H new ATOM 0 HG2 GLU A 310 12.252 -19.207 -5.614 1.00 25.00 H new ATOM 0 HG3 GLU A 310 11.338 -18.058 -6.570 1.00 25.00 H new ATOM 240 N ILE A 311 11.037 -19.891 -2.347 1.00 25.00 N ATOM 241 CA ILE A 311 11.379 -21.220 -1.843 1.00 25.00 C ATOM 242 C ILE A 311 10.110 -21.967 -1.406 1.00 25.00 C ATOM 243 O ILE A 311 10.043 -23.190 -1.454 1.00 25.00 O ATOM 244 CB ILE A 311 12.369 -21.108 -0.630 1.00 25.00 C ATOM 245 CG1 ILE A 311 13.610 -20.269 -1.019 1.00 25.00 C ATOM 246 CG2 ILE A 311 12.802 -22.509 -0.118 1.00 25.00 C ATOM 247 CD1 ILE A 311 14.475 -20.836 -2.178 1.00 25.00 C ATOM 0 H ILE A 311 11.211 -19.135 -1.685 1.00 25.00 H new ATOM 0 HA ILE A 311 11.863 -21.777 -2.646 1.00 25.00 H new ATOM 0 HB ILE A 311 11.843 -20.604 0.181 1.00 25.00 H new ATOM 0 HG12 ILE A 311 13.276 -19.269 -1.296 1.00 25.00 H new ATOM 0 HG13 ILE A 311 14.243 -20.161 -0.138 1.00 25.00 H new ATOM 0 HG21 ILE A 311 13.487 -22.394 0.722 1.00 25.00 H new ATOM 0 HG22 ILE A 311 11.923 -23.066 0.205 1.00 25.00 H new ATOM 0 HG23 ILE A 311 13.301 -23.052 -0.921 1.00 25.00 H new ATOM 0 HD11 ILE A 311 15.316 -20.168 -2.365 1.00 25.00 H new ATOM 0 HD12 ILE A 311 14.849 -21.822 -1.904 1.00 25.00 H new ATOM 0 HD13 ILE A 311 13.868 -20.916 -3.080 1.00 25.00 H new ATOM 259 N LYS A 312 9.107 -21.223 -0.961 1.00 25.00 N ATOM 260 CA LYS A 312 7.874 -21.802 -0.459 1.00 25.00 C ATOM 261 C LYS A 312 6.959 -22.242 -1.563 1.00 25.00 C ATOM 262 O LYS A 312 6.414 -23.328 -1.520 1.00 25.00 O ATOM 263 CB LYS A 312 7.129 -20.752 0.351 1.00 25.00 C ATOM 264 CG LYS A 312 6.156 -21.346 1.335 1.00 25.00 C ATOM 265 CD LYS A 312 6.827 -22.099 2.496 1.00 25.00 C ATOM 266 CE LYS A 312 5.843 -23.070 3.150 1.00 25.00 C ATOM 267 NZ LYS A 312 5.616 -24.302 2.301 1.00 25.00 N ATOM 0 H LYS A 312 9.127 -20.203 -0.939 1.00 25.00 H new ATOM 0 HA LYS A 312 8.147 -22.670 0.140 1.00 25.00 H new ATOM 0 HB2 LYS A 312 7.851 -20.137 0.889 1.00 25.00 H new ATOM 0 HB3 LYS A 312 6.591 -20.091 -0.329 1.00 25.00 H new ATOM 0 HG2 LYS A 312 5.534 -20.549 1.743 1.00 25.00 H new ATOM 0 HG3 LYS A 312 5.492 -22.030 0.807 1.00 25.00 H new ATOM 0 HD2 LYS A 312 7.695 -22.646 2.128 1.00 25.00 H new ATOM 0 HD3 LYS A 312 7.190 -21.387 3.237 1.00 25.00 H new ATOM 0 HE2 LYS A 312 6.223 -23.368 4.127 1.00 25.00 H new ATOM 0 HE3 LYS A 312 4.892 -22.565 3.318 1.00 25.00 H new ATOM 0 HZ1 LYS A 312 5.601 -25.145 2.910 1.00 25.00 H new ATOM 0 HZ2 LYS A 312 4.707 -24.218 1.803 1.00 25.00 H new ATOM 0 HZ3 LYS A 312 6.384 -24.391 1.606 1.00 25.00 H new ATOM 281 N GLU A 313 6.782 -21.360 -2.529 1.00 25.00 N ATOM 282 CA GLU A 313 5.881 -21.604 -3.644 1.00 25.00 C ATOM 283 C GLU A 313 6.284 -22.890 -4.375 1.00 25.00 C ATOM 284 O GLU A 313 5.490 -23.804 -4.550 1.00 25.00 O ATOM 285 CB GLU A 313 5.933 -20.432 -4.606 1.00 25.00 C ATOM 286 CG GLU A 313 5.437 -19.180 -3.967 1.00 25.00 C ATOM 287 CD GLU A 313 3.957 -19.201 -3.642 1.00 25.00 C ATOM 288 OE1 GLU A 313 3.134 -19.347 -4.561 1.00 25.00 O ATOM 289 OE2 GLU A 313 3.624 -19.013 -2.446 1.00 25.00 O ATOM 0 H GLU A 313 7.256 -20.457 -2.565 1.00 25.00 H new ATOM 0 HA GLU A 313 4.866 -21.716 -3.263 1.00 25.00 H new ATOM 0 HB2 GLU A 313 6.957 -20.286 -4.949 1.00 25.00 H new ATOM 0 HB3 GLU A 313 5.331 -20.656 -5.487 1.00 25.00 H new ATOM 0 HG2 GLU A 313 5.998 -19.005 -3.049 1.00 25.00 H new ATOM 0 HG3 GLU A 313 5.641 -18.340 -4.630 1.00 25.00 H new ATOM 296 N LEU A 314 7.561 -22.971 -4.735 1.00 25.00 N ATOM 297 CA LEU A 314 8.115 -24.151 -5.415 1.00 25.00 C ATOM 298 C LEU A 314 8.165 -25.333 -4.451 1.00 25.00 C ATOM 299 O LEU A 314 8.136 -26.495 -4.857 1.00 25.00 O ATOM 300 CB LEU A 314 9.528 -23.854 -5.932 1.00 25.00 C ATOM 301 CG LEU A 314 9.641 -23.230 -7.337 1.00 25.00 C ATOM 302 CD1 LEU A 314 8.978 -21.850 -7.451 1.00 25.00 C ATOM 303 CD2 LEU A 314 11.120 -23.111 -7.703 1.00 25.00 C ATOM 0 H LEU A 314 8.242 -22.230 -4.568 1.00 25.00 H new ATOM 0 HA LEU A 314 7.471 -24.398 -6.259 1.00 25.00 H new ATOM 0 HB2 LEU A 314 10.014 -23.184 -5.223 1.00 25.00 H new ATOM 0 HB3 LEU A 314 10.093 -24.786 -5.929 1.00 25.00 H new ATOM 0 HG LEU A 314 9.109 -23.888 -8.024 1.00 25.00 H new ATOM 0 HD11 LEU A 314 9.097 -21.472 -8.466 1.00 25.00 H new ATOM 0 HD12 LEU A 314 7.917 -21.936 -7.217 1.00 25.00 H new ATOM 0 HD13 LEU A 314 9.449 -21.161 -6.750 1.00 25.00 H new ATOM 0 HD21 LEU A 314 11.215 -22.671 -8.696 1.00 25.00 H new ATOM 0 HD22 LEU A 314 11.625 -22.477 -6.975 1.00 25.00 H new ATOM 0 HD23 LEU A 314 11.576 -24.101 -7.700 1.00 25.00 H new ATOM 315 N GLY A 315 8.208 -25.013 -3.168 1.00 25.00 N ATOM 316 CA GLY A 315 8.189 -26.014 -2.117 1.00 25.00 C ATOM 317 C GLY A 315 6.907 -26.819 -2.116 1.00 25.00 C ATOM 318 O GLY A 315 6.895 -27.942 -1.630 1.00 25.00 O ATOM 0 H GLY A 315 8.257 -24.053 -2.827 1.00 25.00 H new ATOM 0 HA2 GLY A 315 9.038 -26.686 -2.243 1.00 25.00 H new ATOM 0 HA3 GLY A 315 8.310 -25.525 -1.150 1.00 25.00 H new ATOM 322 N GLU A 316 5.828 -26.269 -2.656 1.00 25.00 N ATOM 323 CA GLU A 316 4.585 -27.022 -2.764 1.00 25.00 C ATOM 324 C GLU A 316 4.582 -27.902 -3.993 1.00 25.00 C ATOM 325 O GLU A 316 4.031 -28.991 -3.987 1.00 25.00 O ATOM 326 CB GLU A 316 3.377 -26.092 -2.874 1.00 25.00 C ATOM 327 CG GLU A 316 3.190 -25.183 -1.691 1.00 25.00 C ATOM 328 CD GLU A 316 3.208 -25.941 -0.366 1.00 25.00 C ATOM 329 OE1 GLU A 316 2.643 -27.060 -0.290 1.00 25.00 O ATOM 330 OE2 GLU A 316 3.826 -25.432 0.600 1.00 25.00 O ATOM 0 H GLU A 316 5.787 -25.318 -3.022 1.00 25.00 H new ATOM 0 HA GLU A 316 4.517 -27.627 -1.860 1.00 25.00 H new ATOM 0 HB2 GLU A 316 3.481 -25.484 -3.773 1.00 25.00 H new ATOM 0 HB3 GLU A 316 2.478 -26.695 -3.000 1.00 25.00 H new ATOM 0 HG2 GLU A 316 3.978 -24.430 -1.687 1.00 25.00 H new ATOM 0 HG3 GLU A 316 2.243 -24.652 -1.790 1.00 25.00 H new ATOM 337 N LEU A 317 5.158 -27.402 -5.072 1.00 25.00 N ATOM 338 CA LEU A 317 5.056 -28.080 -6.361 1.00 25.00 C ATOM 339 C LEU A 317 5.870 -29.369 -6.355 1.00 25.00 C ATOM 340 O LEU A 317 5.510 -30.360 -6.977 1.00 25.00 O ATOM 341 CB LEU A 317 5.528 -27.149 -7.483 1.00 25.00 C ATOM 342 CG LEU A 317 4.977 -25.707 -7.466 1.00 25.00 C ATOM 343 CD1 LEU A 317 5.386 -25.003 -8.756 1.00 25.00 C ATOM 344 CD2 LEU A 317 3.452 -25.612 -7.283 1.00 25.00 C ATOM 0 H LEU A 317 5.698 -26.537 -5.087 1.00 25.00 H new ATOM 0 HA LEU A 317 4.012 -28.339 -6.538 1.00 25.00 H new ATOM 0 HB2 LEU A 317 6.616 -27.098 -7.447 1.00 25.00 H new ATOM 0 HB3 LEU A 317 5.261 -27.604 -8.437 1.00 25.00 H new ATOM 0 HG LEU A 317 5.410 -25.220 -6.592 1.00 25.00 H new ATOM 0 HD11 LEU A 317 5.001 -23.983 -8.752 1.00 25.00 H new ATOM 0 HD12 LEU A 317 6.473 -24.980 -8.829 1.00 25.00 H new ATOM 0 HD13 LEU A 317 4.977 -25.542 -9.610 1.00 25.00 H new ATOM 0 HD21 LEU A 317 3.150 -24.565 -7.283 1.00 25.00 H new ATOM 0 HD22 LEU A 317 2.954 -26.133 -8.101 1.00 25.00 H new ATOM 0 HD23 LEU A 317 3.170 -26.071 -6.336 1.00 25.00 H new ATOM 356 N ARG A 318 6.946 -29.361 -5.580 1.00 25.00 N ATOM 357 CA ARG A 318 7.823 -30.530 -5.427 1.00 25.00 C ATOM 358 C ARG A 318 7.130 -31.759 -4.831 1.00 25.00 C ATOM 359 O ARG A 318 7.718 -32.834 -4.814 1.00 25.00 O ATOM 360 CB ARG A 318 9.083 -30.175 -4.624 1.00 25.00 C ATOM 361 CG ARG A 318 8.852 -29.945 -3.131 1.00 25.00 C ATOM 362 CD ARG A 318 9.124 -31.182 -2.258 1.00 25.00 C ATOM 363 NE ARG A 318 10.533 -31.619 -2.291 1.00 25.00 N ATOM 364 CZ ARG A 318 10.984 -32.733 -2.867 1.00 25.00 C ATOM 365 NH1 ARG A 318 10.208 -33.574 -3.505 1.00 25.00 N ATOM 366 NH2 ARG A 318 12.259 -33.004 -2.796 1.00 25.00 N ATOM 0 H ARG A 318 7.241 -28.549 -5.038 1.00 25.00 H new ATOM 0 HA ARG A 318 8.110 -30.811 -6.440 1.00 25.00 H new ATOM 0 HB2 ARG A 318 9.811 -30.977 -4.745 1.00 25.00 H new ATOM 0 HB3 ARG A 318 9.527 -29.275 -5.051 1.00 25.00 H new ATOM 0 HG2 ARG A 318 9.492 -29.129 -2.796 1.00 25.00 H new ATOM 0 HG3 ARG A 318 7.821 -29.625 -2.978 1.00 25.00 H new ATOM 0 HD2 ARG A 318 8.843 -30.961 -1.228 1.00 25.00 H new ATOM 0 HD3 ARG A 318 8.488 -32.002 -2.593 1.00 25.00 H new ATOM 0 HE ARG A 318 11.219 -31.018 -1.835 1.00 25.00 H new ATOM 0 HH11 ARG A 318 9.207 -33.390 -3.578 1.00 25.00 H new ATOM 0 HH12 ARG A 318 10.604 -34.413 -3.929 1.00 25.00 H new ATOM 0 HH21 ARG A 318 12.889 -32.368 -2.307 1.00 25.00 H new ATOM 0 HH22 ARG A 318 12.625 -33.851 -3.230 1.00 25.00 H new ATOM 380 N LYS A 319 5.964 -31.584 -4.214 1.00 25.00 N ATOM 381 CA LYS A 319 5.268 -32.709 -3.577 1.00 25.00 C ATOM 382 C LYS A 319 4.827 -33.746 -4.610 1.00 25.00 C ATOM 383 O LYS A 319 4.710 -34.917 -4.271 1.00 25.00 O ATOM 384 CB LYS A 319 4.041 -32.234 -2.795 1.00 25.00 C ATOM 385 CG LYS A 319 4.370 -31.296 -1.625 1.00 25.00 C ATOM 386 CD LYS A 319 3.198 -31.161 -0.628 1.00 25.00 C ATOM 387 CE LYS A 319 1.885 -30.674 -1.267 1.00 25.00 C ATOM 388 NZ LYS A 319 1.991 -29.345 -1.940 1.00 25.00 N ATOM 0 H LYS A 319 5.483 -30.688 -4.139 1.00 25.00 H new ATOM 0 HA LYS A 319 5.977 -33.167 -2.888 1.00 25.00 H new ATOM 0 HB2 LYS A 319 3.364 -31.722 -3.478 1.00 25.00 H new ATOM 0 HB3 LYS A 319 3.509 -33.104 -2.411 1.00 25.00 H new ATOM 0 HG2 LYS A 319 5.249 -31.670 -1.099 1.00 25.00 H new ATOM 0 HG3 LYS A 319 4.627 -30.311 -2.014 1.00 25.00 H new ATOM 0 HD2 LYS A 319 3.023 -32.128 -0.155 1.00 25.00 H new ATOM 0 HD3 LYS A 319 3.485 -30.467 0.162 1.00 25.00 H new ATOM 0 HE2 LYS A 319 1.552 -31.413 -1.996 1.00 25.00 H new ATOM 0 HE3 LYS A 319 1.117 -30.619 -0.496 1.00 25.00 H new ATOM 0 HZ1 LYS A 319 1.088 -29.117 -2.403 1.00 25.00 H new ATOM 0 HZ2 LYS A 319 2.212 -28.615 -1.233 1.00 25.00 H new ATOM 0 HZ3 LYS A 319 2.747 -29.376 -2.653 1.00 25.00 H new ATOM 402 N GLU A 320 4.645 -33.290 -5.852 1.00 25.00 N ATOM 403 CA GLU A 320 4.257 -34.122 -7.011 1.00 25.00 C ATOM 404 C GLU A 320 2.862 -34.795 -6.900 1.00 25.00 C ATOM 405 O GLU A 320 2.333 -34.992 -5.809 1.00 25.00 O ATOM 406 CB GLU A 320 5.349 -35.181 -7.307 1.00 25.00 C ATOM 407 CG GLU A 320 6.600 -34.601 -7.953 1.00 25.00 C ATOM 408 CD GLU A 320 7.602 -35.682 -8.344 1.00 25.00 C ATOM 409 OE1 GLU A 320 7.235 -36.581 -9.137 1.00 25.00 O ATOM 410 OE2 GLU A 320 8.762 -35.628 -7.870 1.00 25.00 O ATOM 0 H GLU A 320 4.765 -32.306 -6.093 1.00 25.00 H new ATOM 0 HA GLU A 320 4.171 -33.426 -7.845 1.00 25.00 H new ATOM 0 HB2 GLU A 320 5.627 -35.675 -6.376 1.00 25.00 H new ATOM 0 HB3 GLU A 320 4.933 -35.946 -7.962 1.00 25.00 H new ATOM 0 HG2 GLU A 320 6.318 -34.032 -8.839 1.00 25.00 H new ATOM 0 HG3 GLU A 320 7.073 -33.903 -7.262 1.00 25.00 H new ATOM 417 N PRO A 321 2.237 -35.155 -8.048 1.00 25.00 N ATOM 418 CA PRO A 321 2.672 -34.999 -9.448 1.00 25.00 C ATOM 419 C PRO A 321 2.663 -33.549 -9.946 1.00 25.00 C ATOM 420 O PRO A 321 3.656 -33.078 -10.474 1.00 25.00 O ATOM 421 CB PRO A 321 1.675 -35.875 -10.216 1.00 25.00 C ATOM 422 CG PRO A 321 0.441 -35.861 -9.386 1.00 25.00 C ATOM 423 CD PRO A 321 0.923 -35.823 -7.958 1.00 25.00 C ATOM 0 HA PRO A 321 3.713 -35.293 -9.584 1.00 25.00 H new ATOM 0 HB2 PRO A 321 1.486 -35.478 -11.213 1.00 25.00 H new ATOM 0 HB3 PRO A 321 2.055 -36.889 -10.343 1.00 25.00 H new ATOM 0 HG2 PRO A 321 -0.178 -34.993 -9.616 1.00 25.00 H new ATOM 0 HG3 PRO A 321 -0.168 -36.745 -9.572 1.00 25.00 H new ATOM 0 HD2 PRO A 321 0.236 -35.269 -7.318 1.00 25.00 H new ATOM 0 HD3 PRO A 321 1.011 -36.825 -7.539 1.00 25.00 H new ATOM 431 N SER A 322 1.544 -32.851 -9.800 1.00 25.00 N ATOM 432 CA SER A 322 1.475 -31.432 -10.155 1.00 25.00 C ATOM 433 C SER A 322 2.024 -30.587 -9.012 1.00 25.00 C ATOM 434 O SER A 322 2.880 -29.727 -9.203 1.00 25.00 O ATOM 435 CB SER A 322 0.033 -31.021 -10.458 1.00 25.00 C ATOM 436 OG SER A 322 -0.027 -29.678 -10.909 1.00 25.00 O ATOM 0 H SER A 322 0.672 -33.239 -9.440 1.00 25.00 H new ATOM 0 HA SER A 322 2.077 -31.268 -11.049 1.00 25.00 H new ATOM 0 HB2 SER A 322 -0.386 -31.682 -11.216 1.00 25.00 H new ATOM 0 HB3 SER A 322 -0.578 -31.136 -9.562 1.00 25.00 H new ATOM 0 HG SER A 322 -0.958 -29.438 -11.098 1.00 25.00 H new ATOM 442 N LEU A 323 1.443 -30.817 -7.839 1.00 25.00 N ATOM 443 CA LEU A 323 1.746 -30.122 -6.599 1.00 25.00 C ATOM 444 C LEU A 323 0.987 -30.931 -5.561 1.00 25.00 C ATOM 445 O LEU A 323 0.187 -31.778 -6.029 1.00 25.00 O ATOM 446 CB LEU A 323 1.268 -28.661 -6.636 1.00 25.00 C ATOM 447 CG LEU A 323 -0.187 -28.339 -6.294 1.00 25.00 C ATOM 448 CD1 LEU A 323 -0.323 -26.827 -6.129 1.00 25.00 C ATOM 449 CD2 LEU A 323 -1.176 -28.827 -7.355 1.00 25.00 C ATOM 450 OXT LEU A 323 1.148 -30.712 -4.345 1.00 25.00 O ATOM 0 H LEU A 323 0.717 -31.524 -7.725 1.00 25.00 H new ATOM 0 HA LEU A 323 2.815 -30.058 -6.396 1.00 25.00 H new ATOM 0 HB2 LEU A 323 1.898 -28.093 -5.952 1.00 25.00 H new ATOM 0 HB3 LEU A 323 1.461 -28.279 -7.638 1.00 25.00 H new ATOM 0 HG LEU A 323 -0.434 -28.864 -5.371 1.00 25.00 H new ATOM 0 HD11 LEU A 323 -1.356 -26.579 -5.885 1.00 25.00 H new ATOM 0 HD12 LEU A 323 0.331 -26.488 -5.326 1.00 25.00 H new ATOM 0 HD13 LEU A 323 -0.042 -26.333 -7.059 1.00 25.00 H new ATOM 0 HD21 LEU A 323 -2.191 -28.568 -7.053 1.00 25.00 H new ATOM 0 HD22 LEU A 323 -0.949 -28.352 -8.310 1.00 25.00 H new ATOM 0 HD23 LEU A 323 -1.094 -29.909 -7.459 1.00 25.00 H new