USER MOD reduce.3.24.130724 H: found=0, std=0, add=223, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 222 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 277 TYR OH : rot 180:sc= 0 USER MOD Single : A 278 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 281 THR OG1 : rot 180:sc= 0.0389 USER MOD Single : A 282 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 287 SER OG : rot 180:sc= 0 USER MOD Single : A 288 SER OG : rot 180:sc= 0 USER MOD Single : A 292 THR OG1 : rot 85:sc= 1.17 USER MOD Single : A 297 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 298 THR OG1 : rot 82:sc= 1.03 USER MOD Single : A 299 HIS : no HD1:sc= -0.304 K(o=-0.3,f=-0.81) USER MOD Single : A 300 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 277 -6.304 -15.131 9.910 1.00 0.00 N ATOM 2 CA TYR A 277 -4.851 -15.131 9.910 1.00 0.00 C ATOM 3 C TYR A 277 -4.303 -15.483 8.526 1.00 0.00 C ATOM 4 O TYR A 277 -3.167 -15.142 8.199 1.00 0.00 O ATOM 5 CB TYR A 277 -4.429 -16.216 10.903 1.00 0.00 C ATOM 6 CG TYR A 277 -4.243 -15.710 12.335 1.00 0.00 C ATOM 7 CD1 TYR A 277 -5.205 -14.907 12.914 1.00 0.00 C ATOM 8 CD2 TYR A 277 -3.114 -16.058 13.048 1.00 0.00 C ATOM 9 CE1 TYR A 277 -5.030 -14.432 14.262 1.00 0.00 C ATOM 10 CE2 TYR A 277 -2.938 -15.582 14.396 1.00 0.00 C ATOM 11 CZ TYR A 277 -3.905 -14.792 14.936 1.00 0.00 C ATOM 12 OH TYR A 277 -3.739 -14.343 16.209 1.00 0.00 O ATOM 0 HA TYR A 277 -4.467 -14.147 10.178 1.00 0.00 H new ATOM 0 HB2 TYR A 277 -5.179 -17.007 10.902 1.00 0.00 H new ATOM 0 HB3 TYR A 277 -3.495 -16.663 10.562 1.00 0.00 H new ATOM 0 HD1 TYR A 277 -6.089 -14.635 12.356 1.00 0.00 H new ATOM 0 HD2 TYR A 277 -2.362 -16.687 12.595 1.00 0.00 H new ATOM 0 HE1 TYR A 277 -5.775 -13.804 14.727 1.00 0.00 H new ATOM 0 HE2 TYR A 277 -2.059 -15.846 14.965 1.00 0.00 H new ATOM 0 HH TYR A 277 -2.891 -14.680 16.567 1.00 0.00 H new ATOM 22 N MET A 278 -5.136 -16.159 7.749 1.00 0.00 N ATOM 23 CA MET A 278 -4.740 -16.582 6.416 1.00 0.00 C ATOM 24 C MET A 278 -4.860 -15.430 5.417 1.00 0.00 C ATOM 25 O MET A 278 -3.943 -15.182 4.636 1.00 0.00 O ATOM 26 CB MET A 278 -5.626 -17.745 5.965 1.00 0.00 C ATOM 27 CG MET A 278 -5.117 -18.345 4.653 1.00 0.00 C ATOM 28 SD MET A 278 -3.566 -19.185 4.927 1.00 0.00 S ATOM 29 CE MET A 278 -3.200 -19.712 3.262 1.00 0.00 C ATOM 0 H MET A 278 -6.084 -16.425 8.017 1.00 0.00 H new ATOM 0 HA MET A 278 -3.698 -16.900 6.451 1.00 0.00 H new ATOM 0 HB2 MET A 278 -5.644 -18.514 6.738 1.00 0.00 H new ATOM 0 HB3 MET A 278 -6.651 -17.397 5.837 1.00 0.00 H new ATOM 0 HG2 MET A 278 -5.852 -19.043 4.253 1.00 0.00 H new ATOM 0 HG3 MET A 278 -4.988 -17.558 3.910 1.00 0.00 H new ATOM 0 HE1 MET A 278 -2.256 -20.257 3.252 1.00 0.00 H new ATOM 0 HE2 MET A 278 -3.998 -20.362 2.902 1.00 0.00 H new ATOM 0 HE3 MET A 278 -3.122 -18.840 2.613 1.00 0.00 H new ATOM 39 N LEU A 279 -6.000 -14.757 5.473 1.00 0.00 N ATOM 40 CA LEU A 279 -6.243 -13.622 4.599 1.00 0.00 C ATOM 41 C LEU A 279 -5.051 -12.666 4.668 1.00 0.00 C ATOM 42 O LEU A 279 -4.802 -11.910 3.731 1.00 0.00 O ATOM 43 CB LEU A 279 -7.582 -12.962 4.937 1.00 0.00 C ATOM 44 CG LEU A 279 -7.936 -12.888 6.423 1.00 0.00 C ATOM 45 CD1 LEU A 279 -8.634 -14.169 6.885 1.00 0.00 C ATOM 46 CD2 LEU A 279 -6.699 -12.573 7.267 1.00 0.00 C ATOM 0 H LEU A 279 -6.766 -14.976 6.110 1.00 0.00 H new ATOM 0 HA LEU A 279 -6.329 -13.950 3.563 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -7.577 -11.949 4.534 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -8.373 -13.507 4.422 1.00 0.00 H new ATOM 0 HG LEU A 279 -8.640 -12.068 6.566 1.00 0.00 H new ATOM 0 HD11 LEU A 279 -8.875 -14.090 7.945 1.00 0.00 H new ATOM 0 HD12 LEU A 279 -9.552 -14.310 6.314 1.00 0.00 H new ATOM 0 HD13 LEU A 279 -7.973 -15.021 6.725 1.00 0.00 H new ATOM 0 HD21 LEU A 279 -6.979 -12.526 8.319 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -5.953 -13.354 7.124 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -6.283 -11.614 6.959 1.00 0.00 H new ATOM 58 N PHE A 280 -4.346 -12.731 5.788 1.00 0.00 N ATOM 59 CA PHE A 280 -3.618 -11.574 6.282 1.00 0.00 C ATOM 60 C PHE A 280 -2.370 -11.310 5.438 1.00 0.00 C ATOM 61 O PHE A 280 -1.884 -10.181 5.378 1.00 0.00 O ATOM 62 CB PHE A 280 -3.192 -11.893 7.716 1.00 0.00 C ATOM 63 CG PHE A 280 -2.522 -10.724 8.441 1.00 0.00 C ATOM 64 CD1 PHE A 280 -3.281 -9.729 8.973 1.00 0.00 C ATOM 65 CD2 PHE A 280 -1.168 -10.681 8.554 1.00 0.00 C ATOM 66 CE1 PHE A 280 -2.659 -8.644 9.645 1.00 0.00 C ATOM 67 CE2 PHE A 280 -0.546 -9.596 9.227 1.00 0.00 C ATOM 68 CZ PHE A 280 -1.305 -8.600 9.758 1.00 0.00 C ATOM 0 H PHE A 280 -4.263 -13.566 6.367 1.00 0.00 H new ATOM 0 HA PHE A 280 -4.250 -10.688 6.233 1.00 0.00 H new ATOM 0 HB2 PHE A 280 -4.069 -12.205 8.284 1.00 0.00 H new ATOM 0 HB3 PHE A 280 -2.505 -12.739 7.700 1.00 0.00 H new ATOM 0 HD1 PHE A 280 -4.357 -9.764 8.884 1.00 0.00 H new ATOM 0 HD2 PHE A 280 -0.565 -11.472 8.132 1.00 0.00 H new ATOM 0 HE1 PHE A 280 -3.262 -7.853 10.067 1.00 0.00 H new ATOM 0 HE2 PHE A 280 0.530 -9.562 9.317 1.00 0.00 H new ATOM 0 HZ PHE A 280 -0.832 -7.774 10.269 1.00 0.00 H new ATOM 78 N THR A 281 -1.885 -12.369 4.808 1.00 0.00 N ATOM 79 CA THR A 281 -0.747 -12.252 3.912 1.00 0.00 C ATOM 80 C THR A 281 -0.995 -11.155 2.875 1.00 0.00 C ATOM 81 O THR A 281 -0.068 -10.452 2.476 1.00 0.00 O ATOM 82 CB THR A 281 -0.488 -13.627 3.293 1.00 0.00 C ATOM 83 OG1 THR A 281 -0.473 -14.513 4.409 1.00 0.00 O ATOM 84 CG2 THR A 281 0.918 -13.748 2.702 1.00 0.00 C ATOM 0 H THR A 281 -2.259 -13.313 4.900 1.00 0.00 H new ATOM 0 HA THR A 281 0.151 -11.949 4.451 1.00 0.00 H new ATOM 0 HB THR A 281 -1.226 -13.819 2.515 1.00 0.00 H new ATOM 0 HG1 THR A 281 -0.312 -15.428 4.098 1.00 0.00 H new ATOM 0 HG21 THR A 281 1.049 -14.743 2.276 1.00 0.00 H new ATOM 0 HG22 THR A 281 1.050 -12.999 1.922 1.00 0.00 H new ATOM 0 HG23 THR A 281 1.658 -13.589 3.487 1.00 0.00 H new ATOM 92 N MET A 282 -2.251 -11.044 2.468 1.00 0.00 N ATOM 93 CA MET A 282 -2.615 -10.119 1.407 1.00 0.00 C ATOM 94 C MET A 282 -2.300 -8.676 1.807 1.00 0.00 C ATOM 95 O MET A 282 -2.006 -7.842 0.952 1.00 0.00 O ATOM 96 CB MET A 282 -4.109 -10.251 1.105 1.00 0.00 C ATOM 97 CG MET A 282 -4.491 -9.440 -0.135 1.00 0.00 C ATOM 98 SD MET A 282 -3.689 -10.118 -1.579 1.00 0.00 S ATOM 99 CE MET A 282 -4.120 -8.875 -2.785 1.00 0.00 C ATOM 0 H MET A 282 -3.029 -11.579 2.853 1.00 0.00 H new ATOM 0 HA MET A 282 -2.033 -10.366 0.519 1.00 0.00 H new ATOM 0 HB2 MET A 282 -4.361 -11.300 0.950 1.00 0.00 H new ATOM 0 HB3 MET A 282 -4.689 -9.907 1.962 1.00 0.00 H new ATOM 0 HG2 MET A 282 -5.573 -9.454 -0.270 1.00 0.00 H new ATOM 0 HG3 MET A 282 -4.199 -8.398 -0.002 1.00 0.00 H new ATOM 0 HE1 MET A 282 -3.696 -9.144 -3.752 1.00 0.00 H new ATOM 0 HE2 MET A 282 -5.205 -8.811 -2.870 1.00 0.00 H new ATOM 0 HE3 MET A 282 -3.723 -7.910 -2.470 1.00 0.00 H new ATOM 109 N ILE A 283 -2.372 -8.426 3.106 1.00 0.00 N ATOM 110 CA ILE A 283 -2.156 -7.086 3.623 1.00 0.00 C ATOM 111 C ILE A 283 -0.765 -6.601 3.208 1.00 0.00 C ATOM 112 O ILE A 283 -0.536 -5.400 3.076 1.00 0.00 O ATOM 113 CB ILE A 283 -2.394 -7.049 5.134 1.00 0.00 C ATOM 114 CG1 ILE A 283 -3.225 -5.827 5.529 1.00 0.00 C ATOM 115 CG2 ILE A 283 -1.070 -7.114 5.899 1.00 0.00 C ATOM 116 CD1 ILE A 283 -2.370 -4.559 5.529 1.00 0.00 C ATOM 0 H ILE A 283 -2.577 -9.129 3.816 1.00 0.00 H new ATOM 0 HA ILE A 283 -2.878 -6.392 3.193 1.00 0.00 H new ATOM 0 HB ILE A 283 -2.970 -7.932 5.411 1.00 0.00 H new ATOM 0 HG12 ILE A 283 -4.057 -5.709 4.835 1.00 0.00 H new ATOM 0 HG13 ILE A 283 -3.655 -5.980 6.519 1.00 0.00 H new ATOM 0 HG21 ILE A 283 -1.267 -7.086 6.971 1.00 0.00 H new ATOM 0 HG22 ILE A 283 -0.551 -8.039 5.650 1.00 0.00 H new ATOM 0 HG23 ILE A 283 -0.448 -6.263 5.622 1.00 0.00 H new ATOM 0 HD11 ILE A 283 -2.985 -3.705 5.813 1.00 0.00 H new ATOM 0 HD12 ILE A 283 -1.553 -4.671 6.242 1.00 0.00 H new ATOM 0 HD13 ILE A 283 -1.961 -4.396 4.532 1.00 0.00 H new ATOM 128 N PHE A 284 0.127 -7.561 3.013 1.00 0.00 N ATOM 129 CA PHE A 284 1.480 -7.249 2.585 1.00 0.00 C ATOM 130 C PHE A 284 1.473 -6.479 1.263 1.00 0.00 C ATOM 131 O PHE A 284 2.320 -5.615 1.039 1.00 0.00 O ATOM 132 CB PHE A 284 2.203 -8.582 2.381 1.00 0.00 C ATOM 133 CG PHE A 284 3.697 -8.441 2.085 1.00 0.00 C ATOM 134 CD1 PHE A 284 4.577 -8.248 3.104 1.00 0.00 C ATOM 135 CD2 PHE A 284 4.146 -8.508 0.803 1.00 0.00 C ATOM 136 CE1 PHE A 284 5.964 -8.116 2.829 1.00 0.00 C ATOM 137 CE2 PHE A 284 5.533 -8.377 0.528 1.00 0.00 C ATOM 138 CZ PHE A 284 6.413 -8.184 1.547 1.00 0.00 C ATOM 0 H PHE A 284 -0.061 -8.555 3.143 1.00 0.00 H new ATOM 0 HA PHE A 284 1.973 -6.629 3.333 1.00 0.00 H new ATOM 0 HB2 PHE A 284 2.076 -9.193 3.275 1.00 0.00 H new ATOM 0 HB3 PHE A 284 1.729 -9.118 1.559 1.00 0.00 H new ATOM 0 HD1 PHE A 284 4.221 -8.195 4.122 1.00 0.00 H new ATOM 0 HD2 PHE A 284 3.447 -8.661 -0.006 1.00 0.00 H new ATOM 0 HE1 PHE A 284 6.662 -7.962 3.638 1.00 0.00 H new ATOM 0 HE2 PHE A 284 5.889 -8.431 -0.490 1.00 0.00 H new ATOM 0 HZ PHE A 284 7.468 -8.085 1.338 1.00 0.00 H new ATOM 148 N VAL A 285 0.508 -6.819 0.421 1.00 0.00 N ATOM 149 CA VAL A 285 0.399 -6.192 -0.885 1.00 0.00 C ATOM 150 C VAL A 285 -0.461 -4.932 -0.770 1.00 0.00 C ATOM 151 O VAL A 285 -0.196 -3.933 -1.437 1.00 0.00 O ATOM 152 CB VAL A 285 -0.146 -7.196 -1.903 1.00 0.00 C ATOM 153 CG1 VAL A 285 -0.126 -6.609 -3.316 1.00 0.00 C ATOM 154 CG2 VAL A 285 0.632 -8.512 -1.845 1.00 0.00 C ATOM 0 H VAL A 285 -0.206 -7.521 0.618 1.00 0.00 H new ATOM 0 HA VAL A 285 1.381 -5.884 -1.245 1.00 0.00 H new ATOM 0 HB VAL A 285 -1.183 -7.408 -1.643 1.00 0.00 H new ATOM 0 HG11 VAL A 285 -0.518 -7.343 -4.020 1.00 0.00 H new ATOM 0 HG12 VAL A 285 -0.743 -5.711 -3.346 1.00 0.00 H new ATOM 0 HG13 VAL A 285 0.898 -6.355 -3.590 1.00 0.00 H new ATOM 0 HG21 VAL A 285 0.225 -9.208 -2.578 1.00 0.00 H new ATOM 0 HG22 VAL A 285 1.682 -8.324 -2.068 1.00 0.00 H new ATOM 0 HG23 VAL A 285 0.544 -8.943 -0.848 1.00 0.00 H new ATOM 164 N ILE A 286 -1.473 -5.020 0.080 1.00 0.00 N ATOM 165 CA ILE A 286 -2.316 -3.870 0.362 1.00 0.00 C ATOM 166 C ILE A 286 -1.439 -2.698 0.807 1.00 0.00 C ATOM 167 O ILE A 286 -1.631 -1.569 0.356 1.00 0.00 O ATOM 168 CB ILE A 286 -3.407 -4.239 1.369 1.00 0.00 C ATOM 169 CG1 ILE A 286 -4.437 -5.180 0.741 1.00 0.00 C ATOM 170 CG2 ILE A 286 -4.058 -2.986 1.956 1.00 0.00 C ATOM 171 CD1 ILE A 286 -5.489 -5.605 1.768 1.00 0.00 C ATOM 0 H ILE A 286 -1.729 -5.870 0.583 1.00 0.00 H new ATOM 0 HA ILE A 286 -2.841 -3.552 -0.539 1.00 0.00 H new ATOM 0 HB ILE A 286 -2.942 -4.776 2.195 1.00 0.00 H new ATOM 0 HG12 ILE A 286 -4.923 -4.684 -0.099 1.00 0.00 H new ATOM 0 HG13 ILE A 286 -3.935 -6.062 0.343 1.00 0.00 H new ATOM 0 HG21 ILE A 286 -4.830 -3.277 2.669 1.00 0.00 H new ATOM 0 HG22 ILE A 286 -3.302 -2.387 2.464 1.00 0.00 H new ATOM 0 HG23 ILE A 286 -4.507 -2.400 1.154 1.00 0.00 H new ATOM 0 HD11 ILE A 286 -6.209 -6.273 1.296 1.00 0.00 H new ATOM 0 HD12 ILE A 286 -5.002 -6.122 2.595 1.00 0.00 H new ATOM 0 HD13 ILE A 286 -6.006 -4.723 2.145 1.00 0.00 H new ATOM 183 N SER A 287 -0.497 -3.005 1.685 1.00 0.00 N ATOM 184 CA SER A 287 0.401 -1.988 2.206 1.00 0.00 C ATOM 185 C SER A 287 1.098 -1.265 1.053 1.00 0.00 C ATOM 186 O SER A 287 1.321 -0.057 1.117 1.00 0.00 O ATOM 187 CB SER A 287 1.436 -2.600 3.152 1.00 0.00 C ATOM 188 OG SER A 287 2.666 -1.879 3.137 1.00 0.00 O ATOM 0 H SER A 287 -0.335 -3.944 2.049 1.00 0.00 H new ATOM 0 HA SER A 287 -0.189 -1.268 2.773 1.00 0.00 H new ATOM 0 HB2 SER A 287 1.037 -2.614 4.166 1.00 0.00 H new ATOM 0 HB3 SER A 287 1.620 -3.636 2.867 1.00 0.00 H new ATOM 0 HG SER A 287 3.300 -2.300 3.755 1.00 0.00 H new ATOM 194 N SER A 288 1.424 -2.035 0.024 1.00 0.00 N ATOM 195 CA SER A 288 2.263 -1.532 -1.051 1.00 0.00 C ATOM 196 C SER A 288 1.420 -0.723 -2.038 1.00 0.00 C ATOM 197 O SER A 288 1.891 0.267 -2.595 1.00 0.00 O ATOM 198 CB SER A 288 2.974 -2.677 -1.775 1.00 0.00 C ATOM 199 OG SER A 288 3.772 -2.209 -2.859 1.00 0.00 O ATOM 0 H SER A 288 1.122 -3.003 -0.088 1.00 0.00 H new ATOM 0 HA SER A 288 3.024 -0.884 -0.617 1.00 0.00 H new ATOM 0 HB2 SER A 288 3.604 -3.217 -1.068 1.00 0.00 H new ATOM 0 HB3 SER A 288 2.234 -3.385 -2.149 1.00 0.00 H new ATOM 0 HG SER A 288 4.211 -2.970 -3.295 1.00 0.00 H new ATOM 205 N ILE A 289 0.188 -1.174 -2.224 1.00 0.00 N ATOM 206 CA ILE A 289 -0.760 -0.443 -3.048 1.00 0.00 C ATOM 207 C ILE A 289 -0.946 0.965 -2.478 1.00 0.00 C ATOM 208 O ILE A 289 -0.821 1.952 -3.201 1.00 0.00 O ATOM 209 CB ILE A 289 -2.067 -1.228 -3.185 1.00 0.00 C ATOM 210 CG1 ILE A 289 -1.867 -2.479 -4.042 1.00 0.00 C ATOM 211 CG2 ILE A 289 -3.187 -0.337 -3.724 1.00 0.00 C ATOM 212 CD1 ILE A 289 -3.091 -3.394 -3.971 1.00 0.00 C ATOM 0 H ILE A 289 -0.176 -2.036 -1.818 1.00 0.00 H new ATOM 0 HA ILE A 289 -0.375 -0.329 -4.061 1.00 0.00 H new ATOM 0 HB ILE A 289 -2.371 -1.562 -2.193 1.00 0.00 H new ATOM 0 HG12 ILE A 289 -1.684 -2.190 -5.077 1.00 0.00 H new ATOM 0 HG13 ILE A 289 -0.984 -3.020 -3.702 1.00 0.00 H new ATOM 0 HG21 ILE A 289 -4.104 -0.919 -3.812 1.00 0.00 H new ATOM 0 HG22 ILE A 289 -3.350 0.496 -3.040 1.00 0.00 H new ATOM 0 HG23 ILE A 289 -2.906 0.048 -4.704 1.00 0.00 H new ATOM 0 HD11 ILE A 289 -2.922 -4.276 -4.589 1.00 0.00 H new ATOM 0 HD12 ILE A 289 -3.256 -3.701 -2.938 1.00 0.00 H new ATOM 0 HD13 ILE A 289 -3.968 -2.858 -4.335 1.00 0.00 H new ATOM 224 N ILE A 290 -1.240 1.012 -1.187 1.00 0.00 N ATOM 225 CA ILE A 290 -1.502 2.279 -0.525 1.00 0.00 C ATOM 226 C ILE A 290 -0.267 3.174 -0.640 1.00 0.00 C ATOM 227 O ILE A 290 -0.349 4.289 -1.155 1.00 0.00 O ATOM 228 CB ILE A 290 -1.959 2.045 0.916 1.00 0.00 C ATOM 229 CG1 ILE A 290 -3.330 1.365 0.953 1.00 0.00 C ATOM 230 CG2 ILE A 290 -1.946 3.351 1.714 1.00 0.00 C ATOM 231 CD1 ILE A 290 -3.500 0.545 2.233 1.00 0.00 C ATOM 0 H ILE A 290 -1.303 0.193 -0.582 1.00 0.00 H new ATOM 0 HA ILE A 290 -2.323 2.803 -1.015 1.00 0.00 H new ATOM 0 HB ILE A 290 -1.250 1.368 1.393 1.00 0.00 H new ATOM 0 HG12 ILE A 290 -4.115 2.118 0.892 1.00 0.00 H new ATOM 0 HG13 ILE A 290 -3.442 0.717 0.084 1.00 0.00 H new ATOM 0 HG21 ILE A 290 -2.275 3.157 2.735 1.00 0.00 H new ATOM 0 HG22 ILE A 290 -0.935 3.758 1.730 1.00 0.00 H new ATOM 0 HG23 ILE A 290 -2.619 4.070 1.246 1.00 0.00 H new ATOM 0 HD11 ILE A 290 -4.482 0.072 2.235 1.00 0.00 H new ATOM 0 HD12 ILE A 290 -2.728 -0.223 2.278 1.00 0.00 H new ATOM 0 HD13 ILE A 290 -3.411 1.200 3.099 1.00 0.00 H new ATOM 243 N ILE A 291 0.850 2.654 -0.154 1.00 0.00 N ATOM 244 CA ILE A 291 2.060 3.450 -0.040 1.00 0.00 C ATOM 245 C ILE A 291 2.480 3.934 -1.429 1.00 0.00 C ATOM 246 O ILE A 291 2.997 5.040 -1.576 1.00 0.00 O ATOM 247 CB ILE A 291 3.150 2.667 0.694 1.00 0.00 C ATOM 248 CG1 ILE A 291 2.800 2.495 2.174 1.00 0.00 C ATOM 249 CG2 ILE A 291 4.519 3.323 0.503 1.00 0.00 C ATOM 250 CD1 ILE A 291 4.010 2.002 2.970 1.00 0.00 C ATOM 0 H ILE A 291 0.943 1.690 0.166 1.00 0.00 H new ATOM 0 HA ILE A 291 1.876 4.338 0.565 1.00 0.00 H new ATOM 0 HB ILE A 291 3.206 1.670 0.258 1.00 0.00 H new ATOM 0 HG12 ILE A 291 2.454 3.445 2.582 1.00 0.00 H new ATOM 0 HG13 ILE A 291 1.979 1.786 2.277 1.00 0.00 H new ATOM 0 HG21 ILE A 291 5.276 2.747 1.035 1.00 0.00 H new ATOM 0 HG22 ILE A 291 4.764 3.351 -0.559 1.00 0.00 H new ATOM 0 HG23 ILE A 291 4.494 4.339 0.897 1.00 0.00 H new ATOM 0 HD11 ILE A 291 3.734 1.888 4.018 1.00 0.00 H new ATOM 0 HD12 ILE A 291 4.338 1.041 2.575 1.00 0.00 H new ATOM 0 HD13 ILE A 291 4.821 2.725 2.885 1.00 0.00 H new ATOM 262 N THR A 292 2.241 3.080 -2.415 1.00 0.00 N ATOM 263 CA THR A 292 2.552 3.422 -3.792 1.00 0.00 C ATOM 264 C THR A 292 1.731 4.634 -4.239 1.00 0.00 C ATOM 265 O THR A 292 2.273 5.580 -4.809 1.00 0.00 O ATOM 266 CB THR A 292 2.317 2.179 -4.652 1.00 0.00 C ATOM 267 OG1 THR A 292 3.438 1.346 -4.371 1.00 0.00 O ATOM 268 CG2 THR A 292 2.437 2.471 -6.149 1.00 0.00 C ATOM 0 H THR A 292 1.836 2.153 -2.287 1.00 0.00 H new ATOM 0 HA THR A 292 3.596 3.718 -3.900 1.00 0.00 H new ATOM 0 HB THR A 292 1.328 1.773 -4.439 1.00 0.00 H new ATOM 0 HG1 THR A 292 3.261 0.821 -3.563 1.00 0.00 H new ATOM 0 HG21 THR A 292 2.261 1.555 -6.714 1.00 0.00 H new ATOM 0 HG22 THR A 292 1.698 3.220 -6.434 1.00 0.00 H new ATOM 0 HG23 THR A 292 3.437 2.846 -6.368 1.00 0.00 H new ATOM 276 N VAL A 293 0.437 4.566 -3.963 1.00 0.00 N ATOM 277 CA VAL A 293 -0.462 5.651 -4.319 1.00 0.00 C ATOM 278 C VAL A 293 -0.101 6.895 -3.505 1.00 0.00 C ATOM 279 O VAL A 293 -0.334 8.019 -3.946 1.00 0.00 O ATOM 280 CB VAL A 293 -1.915 5.211 -4.126 1.00 0.00 C ATOM 281 CG1 VAL A 293 -2.856 6.417 -4.120 1.00 0.00 C ATOM 282 CG2 VAL A 293 -2.328 4.198 -5.195 1.00 0.00 C ATOM 0 H VAL A 293 -0.010 3.777 -3.497 1.00 0.00 H new ATOM 0 HA VAL A 293 -0.351 5.909 -5.372 1.00 0.00 H new ATOM 0 HB VAL A 293 -1.991 4.722 -3.155 1.00 0.00 H new ATOM 0 HG11 VAL A 293 -3.882 6.077 -3.981 1.00 0.00 H new ATOM 0 HG12 VAL A 293 -2.583 7.088 -3.305 1.00 0.00 H new ATOM 0 HG13 VAL A 293 -2.774 6.947 -5.069 1.00 0.00 H new ATOM 0 HG21 VAL A 293 -3.365 3.902 -5.035 1.00 0.00 H new ATOM 0 HG22 VAL A 293 -2.228 4.650 -6.182 1.00 0.00 H new ATOM 0 HG23 VAL A 293 -1.686 3.320 -5.131 1.00 0.00 H new ATOM 292 N VAL A 294 0.463 6.651 -2.331 1.00 0.00 N ATOM 293 CA VAL A 294 0.782 7.733 -1.415 1.00 0.00 C ATOM 294 C VAL A 294 2.041 8.453 -1.900 1.00 0.00 C ATOM 295 O VAL A 294 2.160 9.669 -1.758 1.00 0.00 O ATOM 296 CB VAL A 294 0.915 7.190 0.010 1.00 0.00 C ATOM 297 CG1 VAL A 294 1.747 8.134 0.880 1.00 0.00 C ATOM 298 CG2 VAL A 294 -0.460 6.940 0.632 1.00 0.00 C ATOM 0 H VAL A 294 0.707 5.720 -1.993 1.00 0.00 H new ATOM 0 HA VAL A 294 -0.024 8.467 -1.396 1.00 0.00 H new ATOM 0 HB VAL A 294 1.437 6.235 -0.042 1.00 0.00 H new ATOM 0 HG11 VAL A 294 1.826 7.725 1.887 1.00 0.00 H new ATOM 0 HG12 VAL A 294 2.744 8.240 0.452 1.00 0.00 H new ATOM 0 HG13 VAL A 294 1.264 9.111 0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 294 -0.337 6.555 1.644 1.00 0.00 H new ATOM 0 HG22 VAL A 294 -1.020 7.875 0.665 1.00 0.00 H new ATOM 0 HG23 VAL A 294 -1.005 6.212 0.030 1.00 0.00 H new ATOM 308 N VAL A 295 2.951 7.671 -2.464 1.00 0.00 N ATOM 309 CA VAL A 295 4.129 8.233 -3.102 1.00 0.00 C ATOM 310 C VAL A 295 3.697 9.108 -4.281 1.00 0.00 C ATOM 311 O VAL A 295 4.049 10.285 -4.346 1.00 0.00 O ATOM 312 CB VAL A 295 5.088 7.113 -3.509 1.00 0.00 C ATOM 313 CG1 VAL A 295 6.077 7.598 -4.572 1.00 0.00 C ATOM 314 CG2 VAL A 295 5.824 6.552 -2.291 1.00 0.00 C ATOM 0 H VAL A 295 2.896 6.653 -2.492 1.00 0.00 H new ATOM 0 HA VAL A 295 4.673 8.871 -2.405 1.00 0.00 H new ATOM 0 HB VAL A 295 4.497 6.307 -3.944 1.00 0.00 H new ATOM 0 HG11 VAL A 295 6.748 6.783 -4.844 1.00 0.00 H new ATOM 0 HG12 VAL A 295 5.529 7.927 -5.455 1.00 0.00 H new ATOM 0 HG13 VAL A 295 6.659 8.430 -4.175 1.00 0.00 H new ATOM 0 HG21 VAL A 295 6.499 5.757 -2.608 1.00 0.00 H new ATOM 0 HG22 VAL A 295 6.398 7.347 -1.814 1.00 0.00 H new ATOM 0 HG23 VAL A 295 5.100 6.151 -1.581 1.00 0.00 H new ATOM 324 N ILE A 296 2.941 8.500 -5.182 1.00 0.00 N ATOM 325 CA ILE A 296 2.523 9.184 -6.394 1.00 0.00 C ATOM 326 C ILE A 296 1.817 10.489 -6.020 1.00 0.00 C ATOM 327 O ILE A 296 1.898 11.475 -6.751 1.00 0.00 O ATOM 328 CB ILE A 296 1.679 8.256 -7.270 1.00 0.00 C ATOM 329 CG1 ILE A 296 2.529 7.122 -7.845 1.00 0.00 C ATOM 330 CG2 ILE A 296 0.957 9.043 -8.365 1.00 0.00 C ATOM 331 CD1 ILE A 296 1.663 5.910 -8.193 1.00 0.00 C ATOM 0 H ILE A 296 2.606 7.540 -5.097 1.00 0.00 H new ATOM 0 HA ILE A 296 3.390 9.452 -6.998 1.00 0.00 H new ATOM 0 HB ILE A 296 0.913 7.798 -6.644 1.00 0.00 H new ATOM 0 HG12 ILE A 296 3.050 7.470 -8.737 1.00 0.00 H new ATOM 0 HG13 ILE A 296 3.292 6.833 -7.123 1.00 0.00 H new ATOM 0 HG21 ILE A 296 0.364 8.360 -8.973 1.00 0.00 H new ATOM 0 HG22 ILE A 296 0.301 9.784 -7.908 1.00 0.00 H new ATOM 0 HG23 ILE A 296 1.690 9.547 -8.995 1.00 0.00 H new ATOM 0 HD11 ILE A 296 2.292 5.118 -8.600 1.00 0.00 H new ATOM 0 HD12 ILE A 296 1.163 5.550 -7.294 1.00 0.00 H new ATOM 0 HD13 ILE A 296 0.916 6.197 -8.934 1.00 0.00 H new ATOM 343 N ASN A 297 1.138 10.452 -4.883 1.00 0.00 N ATOM 344 CA ASN A 297 0.366 11.598 -4.435 1.00 0.00 C ATOM 345 C ASN A 297 1.317 12.676 -3.912 1.00 0.00 C ATOM 346 O ASN A 297 1.124 13.862 -4.177 1.00 0.00 O ATOM 347 CB ASN A 297 -0.583 11.213 -3.298 1.00 0.00 C ATOM 348 CG ASN A 297 -1.811 12.125 -3.275 1.00 0.00 C ATOM 349 OD1 ASN A 297 -1.811 13.222 -3.808 1.00 0.00 O ATOM 350 ND2 ASN A 297 -2.854 11.612 -2.629 1.00 0.00 N ATOM 0 H ASN A 297 1.107 9.646 -4.259 1.00 0.00 H new ATOM 0 HA ASN A 297 -0.215 11.964 -5.281 1.00 0.00 H new ATOM 0 HB2 ASN A 297 -0.898 10.176 -3.418 1.00 0.00 H new ATOM 0 HB3 ASN A 297 -0.059 11.279 -2.344 1.00 0.00 H new ATOM 0 HD21 ASN A 297 -3.721 12.144 -2.557 1.00 0.00 H new ATOM 0 HD22 ASN A 297 -2.787 10.687 -2.205 1.00 0.00 H new ATOM 357 N THR A 298 2.325 12.226 -3.178 1.00 0.00 N ATOM 358 CA THR A 298 3.309 13.137 -2.619 1.00 0.00 C ATOM 359 C THR A 298 4.103 13.815 -3.737 1.00 0.00 C ATOM 360 O THR A 298 4.526 14.962 -3.595 1.00 0.00 O ATOM 361 CB THR A 298 4.184 12.347 -1.645 1.00 0.00 C ATOM 362 OG1 THR A 298 3.287 11.958 -0.608 1.00 0.00 O ATOM 363 CG2 THR A 298 5.214 13.229 -0.935 1.00 0.00 C ATOM 0 H THR A 298 2.481 11.242 -2.958 1.00 0.00 H new ATOM 0 HA THR A 298 2.831 13.946 -2.066 1.00 0.00 H new ATOM 0 HB THR A 298 4.698 11.551 -2.184 1.00 0.00 H new ATOM 0 HG1 THR A 298 2.795 11.157 -0.884 1.00 0.00 H new ATOM 0 HG21 THR A 298 5.809 12.619 -0.255 1.00 0.00 H new ATOM 0 HG22 THR A 298 5.868 13.691 -1.674 1.00 0.00 H new ATOM 0 HG23 THR A 298 4.700 14.006 -0.369 1.00 0.00 H new ATOM 371 N HIS A 299 4.282 13.078 -4.823 1.00 0.00 N ATOM 372 CA HIS A 299 5.008 13.599 -5.969 1.00 0.00 C ATOM 373 C HIS A 299 4.104 14.546 -6.762 1.00 0.00 C ATOM 374 O HIS A 299 4.545 15.605 -7.205 1.00 0.00 O ATOM 375 CB HIS A 299 5.565 12.459 -6.823 1.00 0.00 C ATOM 376 CG HIS A 299 6.684 11.688 -6.164 1.00 0.00 C ATOM 377 ND1 HIS A 299 6.826 11.600 -4.790 1.00 0.00 N ATOM 378 CD2 HIS A 299 7.712 10.972 -6.704 1.00 0.00 C ATOM 379 CE1 HIS A 299 7.894 10.862 -4.526 1.00 0.00 C ATOM 380 NE2 HIS A 299 8.442 10.474 -5.714 1.00 0.00 N ATOM 0 H HIS A 299 3.937 12.125 -4.934 1.00 0.00 H new ATOM 0 HA HIS A 299 5.869 14.174 -5.628 1.00 0.00 H new ATOM 0 HB2 HIS A 299 4.755 11.770 -7.064 1.00 0.00 H new ATOM 0 HB3 HIS A 299 5.926 12.868 -7.766 1.00 0.00 H new ATOM 0 HD2 HIS A 299 7.900 10.834 -7.759 1.00 0.00 H new ATOM 0 HE1 HIS A 299 8.266 10.611 -3.543 1.00 0.00 H new ATOM 0 HE2 HIS A 299 9.276 9.896 -5.823 1.00 0.00 H new ATOM 388 N HIS A 300 2.856 14.130 -6.916 1.00 0.00 N ATOM 389 CA HIS A 300 1.924 14.857 -7.762 1.00 0.00 C ATOM 390 C HIS A 300 1.019 15.733 -6.893 1.00 0.00 C ATOM 391 O HIS A 300 -0.042 15.291 -6.453 1.00 0.00 O ATOM 392 CB HIS A 300 1.138 13.895 -8.655 1.00 0.00 C ATOM 393 CG HIS A 300 0.181 14.580 -9.602 1.00 0.00 C ATOM 394 ND1 HIS A 300 -1.064 14.062 -9.913 1.00 0.00 N ATOM 395 CD2 HIS A 300 0.300 15.745 -10.301 1.00 0.00 C ATOM 396 CE1 HIS A 300 -1.659 14.887 -10.763 1.00 0.00 C ATOM 397 NE2 HIS A 300 -0.812 15.928 -11.003 1.00 0.00 N ATOM 0 H HIS A 300 2.468 13.299 -6.470 1.00 0.00 H new ATOM 0 HA HIS A 300 2.474 15.517 -8.433 1.00 0.00 H new ATOM 0 HB2 HIS A 300 1.841 13.297 -9.235 1.00 0.00 H new ATOM 0 HB3 HIS A 300 0.577 13.205 -8.024 1.00 0.00 H new ATOM 0 HD2 HIS A 300 1.154 16.406 -10.286 1.00 0.00 H new ATOM 0 HE1 HIS A 300 -2.642 14.757 -11.190 1.00 0.00 H new ATOM 0 HE2 HIS A 300 -1.001 16.718 -11.620 1.00 0.00 H new ATOM 405 N ARG A 301 1.470 16.959 -6.673 1.00 0.00 N ATOM 406 CA ARG A 301 0.744 17.881 -5.817 1.00 0.00 C ATOM 407 C ARG A 301 1.433 19.247 -5.804 1.00 0.00 C ATOM 408 O ARG A 301 2.510 19.408 -6.374 1.00 0.00 O ATOM 409 CB ARG A 301 0.653 17.349 -4.386 1.00 0.00 C ATOM 410 CG ARG A 301 2.046 17.098 -3.805 1.00 0.00 C ATOM 411 CD ARG A 301 2.440 18.205 -2.826 1.00 0.00 C ATOM 412 NE ARG A 301 3.772 17.919 -2.247 1.00 0.00 N ATOM 413 CZ ARG A 301 3.979 17.108 -1.188 1.00 0.00 C ATOM 414 NH1 ARG A 301 2.954 16.421 -0.641 1.00 0.00 N ATOM 415 NH2 ARG A 301 5.198 16.999 -0.695 1.00 0.00 N ATOM 0 H ARG A 301 2.330 17.335 -7.073 1.00 0.00 H new ATOM 0 HA ARG A 301 -0.264 17.983 -6.219 1.00 0.00 H new ATOM 0 HB2 ARG A 301 0.118 18.065 -3.762 1.00 0.00 H new ATOM 0 HB3 ARG A 301 0.078 16.423 -4.374 1.00 0.00 H new ATOM 0 HG2 ARG A 301 2.063 16.134 -3.296 1.00 0.00 H new ATOM 0 HG3 ARG A 301 2.776 17.045 -4.612 1.00 0.00 H new ATOM 0 HD2 ARG A 301 2.456 19.167 -3.339 1.00 0.00 H new ATOM 0 HD3 ARG A 301 1.698 18.280 -2.031 1.00 0.00 H new ATOM 0 HE ARG A 301 4.585 18.363 -2.675 1.00 0.00 H new ATOM 0 HH11 ARG A 301 2.015 16.513 -1.028 1.00 0.00 H new ATOM 0 HH12 ARG A 301 3.119 15.810 0.159 1.00 0.00 H new ATOM 0 HH21 ARG A 301 5.966 17.523 -1.114 1.00 0.00 H new ATOM 0 HH22 ARG A 301 5.372 16.391 0.105 1.00 0.00 H new TER 429 ARG A 301