USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 462 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 2 ASN : amide:sc= 0.288 X(o=0.29,f=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.69 K(o=-0.69,f=-4.3!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -3 HIS : no HD1:sc= -0.353 K(o=-0.35,f=-1.4) USER MOD Single : A -5 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A -6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -45:sc= -0.418! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 37:sc= 0.111 USER MOD Single : A 13 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00517) USER MOD Single : A 15 SER OG : rot 80:sc= 0.109 USER MOD Single : A 17 ASN : amide:sc= -0.0232 X(o=-0.023,f=0) USER MOD Single : A 20 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.33) USER MOD Single : A 23 GLN : amide:sc= -0.277 K(o=-0.28,f=-1.8!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 67:sc= 0.139 USER MOD Single : A 31 ASN : amide:sc= -0.0213 K(o=-0.021,f=-0.74) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0189 USER MOD Single : A 35 SER OG : rot 180:sc= -0.739! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 32:sc= 0.11 USER MOD Single : A -11 ASN : amide:sc= 0 X(o=0,f=0.24) USER MOD Single : A -14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -16 SER OG : rot 150:sc= -0.853 USER MOD Single : A -17 ASN : amide:sc= -0.149 K(o=-0.15,f=-2.1!) USER MOD Single : A -18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -18 MET N :NH3+ -171:sc= 0 (180deg=-0.0443) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -18 -18.507 53.364 39.526 1.00 0.00 N ATOM 2 CA MET A -18 -19.166 52.314 40.345 1.00 0.00 C ATOM 3 C MET A -18 -18.164 51.254 40.792 1.00 0.00 C ATOM 4 O MET A -18 -17.965 50.248 40.111 1.00 0.00 O ATOM 5 CB MET A -18 -20.277 51.673 39.513 1.00 0.00 C ATOM 6 CG MET A -18 -21.528 52.528 39.405 1.00 0.00 C ATOM 7 SD MET A -18 -22.524 52.495 40.907 1.00 0.00 S ATOM 8 CE MET A -18 -24.174 52.399 40.218 1.00 0.00 C ATOM 0 H1 MET A -18 -19.172 54.147 39.364 1.00 0.00 H new ATOM 0 H2 MET A -18 -17.669 53.720 40.028 1.00 0.00 H new ATOM 0 H3 MET A -18 -18.218 52.961 38.612 1.00 0.00 H new ATOM 0 HA MET A -18 -19.584 52.770 41.243 1.00 0.00 H new ATOM 0 HB2 MET A -18 -19.898 51.470 38.511 1.00 0.00 H new ATOM 0 HB3 MET A -18 -20.541 50.712 39.954 1.00 0.00 H new ATOM 0 HG2 MET A -18 -21.242 53.557 39.186 1.00 0.00 H new ATOM 0 HG3 MET A -18 -22.131 52.179 38.566 1.00 0.00 H new ATOM 0 HE1 MET A -18 -24.905 52.371 41.026 1.00 0.00 H new ATOM 0 HE2 MET A -18 -24.358 53.272 39.592 1.00 0.00 H new ATOM 0 HE3 MET A -18 -24.265 51.495 39.615 1.00 0.00 H new ATOM 20 N ASN A -17 -17.535 51.488 41.940 1.00 0.00 N ATOM 21 CA ASN A -17 -16.554 50.553 42.479 1.00 0.00 C ATOM 22 C ASN A -17 -17.227 49.501 43.356 1.00 0.00 C ATOM 23 O ASN A -17 -17.282 49.641 44.577 1.00 0.00 O ATOM 24 CB ASN A -17 -15.493 51.302 43.285 1.00 0.00 C ATOM 25 CG ASN A -17 -14.230 50.485 43.480 1.00 0.00 C ATOM 26 OD1 ASN A -17 -14.289 49.299 43.808 1.00 0.00 O ATOM 27 ND2 ASN A -17 -13.079 51.116 43.279 1.00 0.00 N ATOM 0 H ASN A -17 -17.687 52.317 42.514 1.00 0.00 H new ATOM 0 HA ASN A -17 -16.074 50.048 41.641 1.00 0.00 H new ATOM 0 HB2 ASN A -17 -15.245 52.233 42.776 1.00 0.00 H new ATOM 0 HB3 ASN A -17 -15.903 51.570 44.259 1.00 0.00 H new ATOM 0 HD21 ASN A -17 -12.197 50.617 43.395 1.00 0.00 H new ATOM 0 HD22 ASN A -17 -13.077 52.099 43.008 1.00 0.00 H new ATOM 34 N SER A -16 -17.738 48.451 42.724 1.00 0.00 N ATOM 35 CA SER A -16 -18.408 47.376 43.447 1.00 0.00 C ATOM 36 C SER A -16 -17.394 46.417 44.060 1.00 0.00 C ATOM 37 O SER A -16 -16.609 45.787 43.349 1.00 0.00 O ATOM 38 CB SER A -16 -19.350 46.614 42.512 1.00 0.00 C ATOM 39 OG SER A -16 -20.578 46.319 43.154 1.00 0.00 O ATOM 0 H SER A -16 -17.701 48.321 41.713 1.00 0.00 H new ATOM 0 HA SER A -16 -18.990 47.822 44.253 1.00 0.00 H new ATOM 0 HB2 SER A -16 -19.537 47.207 41.617 1.00 0.00 H new ATOM 0 HB3 SER A -16 -18.875 45.689 42.187 1.00 0.00 H new ATOM 0 HG SER A -16 -21.297 46.290 42.488 1.00 0.00 H new ATOM 45 N VAL A -15 -17.421 46.298 45.384 1.00 0.00 N ATOM 46 CA VAL A -15 -16.502 45.411 46.084 1.00 0.00 C ATOM 47 C VAL A -15 -17.155 44.065 46.347 1.00 0.00 C ATOM 48 O VAL A -15 -16.473 43.047 46.478 1.00 0.00 O ATOM 49 CB VAL A -15 -16.038 46.017 47.423 1.00 0.00 C ATOM 50 CG1 VAL A -15 -14.928 45.176 48.033 1.00 0.00 C ATOM 51 CG2 VAL A -15 -15.582 47.455 47.229 1.00 0.00 C ATOM 0 H VAL A -15 -18.067 46.803 45.990 1.00 0.00 H new ATOM 0 HA VAL A -15 -15.632 45.278 45.441 1.00 0.00 H new ATOM 0 HB VAL A -15 -16.882 46.018 48.112 1.00 0.00 H new ATOM 0 HG11 VAL A -15 -14.613 45.619 48.978 1.00 0.00 H new ATOM 0 HG12 VAL A -15 -15.294 44.165 48.211 1.00 0.00 H new ATOM 0 HG13 VAL A -15 -14.080 45.140 47.349 1.00 0.00 H new ATOM 0 HG21 VAL A -15 -15.258 47.866 48.185 1.00 0.00 H new ATOM 0 HG22 VAL A -15 -14.752 47.481 46.523 1.00 0.00 H new ATOM 0 HG23 VAL A -15 -16.409 48.049 46.840 1.00 0.00 H new ATOM 61 N LYS A -14 -18.479 44.057 46.386 1.00 0.00 N ATOM 62 CA LYS A -14 -19.224 42.826 46.590 1.00 0.00 C ATOM 63 C LYS A -14 -19.338 42.088 45.265 1.00 0.00 C ATOM 64 O LYS A -14 -19.344 40.858 45.220 1.00 0.00 O ATOM 65 CB LYS A -14 -20.614 43.121 47.157 1.00 0.00 C ATOM 66 CG LYS A -14 -21.433 41.873 47.439 1.00 0.00 C ATOM 67 CD LYS A -14 -22.361 42.071 48.626 1.00 0.00 C ATOM 68 CE LYS A -14 -21.618 41.929 49.944 1.00 0.00 C ATOM 69 NZ LYS A -14 -22.469 41.313 50.999 1.00 0.00 N ATOM 0 H LYS A -14 -19.059 44.889 46.279 1.00 0.00 H new ATOM 0 HA LYS A -14 -18.695 42.202 47.311 1.00 0.00 H new ATOM 0 HB2 LYS A -14 -20.507 43.692 48.080 1.00 0.00 H new ATOM 0 HB3 LYS A -14 -21.158 43.751 46.453 1.00 0.00 H new ATOM 0 HG2 LYS A -14 -22.019 41.614 46.557 1.00 0.00 H new ATOM 0 HG3 LYS A -14 -20.765 41.035 47.635 1.00 0.00 H new ATOM 0 HD2 LYS A -14 -22.819 43.058 48.570 1.00 0.00 H new ATOM 0 HD3 LYS A -14 -23.170 41.341 48.583 1.00 0.00 H new ATOM 0 HE2 LYS A -14 -20.727 41.319 49.794 1.00 0.00 H new ATOM 0 HE3 LYS A -14 -21.280 42.910 50.277 1.00 0.00 H new ATOM 0 HZ1 LYS A -14 -21.925 41.234 51.882 1.00 0.00 H new ATOM 0 HZ2 LYS A -14 -23.307 41.908 51.161 1.00 0.00 H new ATOM 0 HZ3 LYS A -14 -22.771 40.366 50.693 1.00 0.00 H new ATOM 83 N GLU A -13 -19.404 42.858 44.181 1.00 0.00 N ATOM 84 CA GLU A -13 -19.492 42.295 42.848 1.00 0.00 C ATOM 85 C GLU A -13 -18.129 41.787 42.410 1.00 0.00 C ATOM 86 O GLU A -13 -18.010 40.719 41.811 1.00 0.00 O ATOM 87 CB GLU A -13 -20.016 43.337 41.856 1.00 0.00 C ATOM 88 CG GLU A -13 -21.209 42.858 41.044 1.00 0.00 C ATOM 89 CD GLU A -13 -22.186 43.974 40.729 1.00 0.00 C ATOM 90 OE1 GLU A -13 -21.729 45.105 40.462 1.00 0.00 O ATOM 91 OE2 GLU A -13 -23.408 43.715 40.748 1.00 0.00 O ATOM 0 H GLU A -13 -19.398 43.878 44.207 1.00 0.00 H new ATOM 0 HA GLU A -13 -20.192 41.460 42.867 1.00 0.00 H new ATOM 0 HB2 GLU A -13 -20.297 44.238 42.402 1.00 0.00 H new ATOM 0 HB3 GLU A -13 -19.212 43.615 41.175 1.00 0.00 H new ATOM 0 HG2 GLU A -13 -20.856 42.416 40.112 1.00 0.00 H new ATOM 0 HG3 GLU A -13 -21.726 42.072 41.594 1.00 0.00 H new ATOM 98 N LEU A -12 -17.100 42.561 42.729 1.00 0.00 N ATOM 99 CA LEU A -12 -15.734 42.191 42.385 1.00 0.00 C ATOM 100 C LEU A -12 -15.269 41.006 43.225 1.00 0.00 C ATOM 101 O LEU A -12 -14.384 40.254 42.818 1.00 0.00 O ATOM 102 CB LEU A -12 -14.788 43.379 42.583 1.00 0.00 C ATOM 103 CG LEU A -12 -14.421 44.133 41.304 1.00 0.00 C ATOM 104 CD1 LEU A -12 -14.251 45.618 41.590 1.00 0.00 C ATOM 105 CD2 LEU A -12 -13.152 43.559 40.694 1.00 0.00 C ATOM 0 H LEU A -12 -17.185 43.448 43.225 1.00 0.00 H new ATOM 0 HA LEU A -12 -15.716 41.901 41.334 1.00 0.00 H new ATOM 0 HB2 LEU A -12 -15.249 44.079 43.280 1.00 0.00 H new ATOM 0 HB3 LEU A -12 -13.871 43.020 43.051 1.00 0.00 H new ATOM 0 HG LEU A -12 -15.233 44.012 40.587 1.00 0.00 H new ATOM 0 HD11 LEU A -12 -13.990 46.138 40.669 1.00 0.00 H new ATOM 0 HD12 LEU A -12 -15.184 46.022 41.983 1.00 0.00 H new ATOM 0 HD13 LEU A -12 -13.457 45.759 42.323 1.00 0.00 H new ATOM 0 HD21 LEU A -12 -12.905 44.107 39.785 1.00 0.00 H new ATOM 0 HD22 LEU A -12 -12.332 43.650 41.407 1.00 0.00 H new ATOM 0 HD23 LEU A -12 -13.308 42.507 40.453 1.00 0.00 H new ATOM 117 N ASN A -11 -15.873 40.844 44.398 1.00 0.00 N ATOM 118 CA ASN A -11 -15.521 39.749 45.290 1.00 0.00 C ATOM 119 C ASN A -11 -15.937 38.411 44.694 1.00 0.00 C ATOM 120 O ASN A -11 -15.267 37.395 44.883 1.00 0.00 O ATOM 121 CB ASN A -11 -16.178 39.945 46.660 1.00 0.00 C ATOM 122 CG ASN A -11 -15.159 40.072 47.776 1.00 0.00 C ATOM 123 OD1 ASN A -11 -14.954 41.156 48.323 1.00 0.00 O ATOM 124 ND2 ASN A -11 -14.515 38.964 48.119 1.00 0.00 N ATOM 0 H ASN A -11 -16.608 41.457 44.751 1.00 0.00 H new ATOM 0 HA ASN A -11 -14.438 39.747 45.416 1.00 0.00 H new ATOM 0 HB2 ASN A -11 -16.801 40.839 46.637 1.00 0.00 H new ATOM 0 HB3 ASN A -11 -16.837 39.102 46.868 1.00 0.00 H new ATOM 0 HD21 ASN A -11 -13.818 38.989 48.863 1.00 0.00 H new ATOM 0 HD22 ASN A -11 -14.717 38.087 47.638 1.00 0.00 H new ATOM 131 N VAL A -10 -17.046 38.425 43.971 1.00 0.00 N ATOM 132 CA VAL A -10 -17.565 37.220 43.336 1.00 0.00 C ATOM 133 C VAL A -10 -16.736 36.842 42.113 1.00 0.00 C ATOM 134 O VAL A -10 -16.628 35.667 41.762 1.00 0.00 O ATOM 135 CB VAL A -10 -19.035 37.397 42.911 1.00 0.00 C ATOM 136 CG1 VAL A -10 -19.609 36.080 42.410 1.00 0.00 C ATOM 137 CG2 VAL A -10 -19.862 37.942 44.064 1.00 0.00 C ATOM 0 H VAL A -10 -17.607 39.261 43.808 1.00 0.00 H new ATOM 0 HA VAL A -10 -17.502 36.421 44.075 1.00 0.00 H new ATOM 0 HB VAL A -10 -19.073 38.118 42.094 1.00 0.00 H new ATOM 0 HG11 VAL A -10 -20.648 36.225 42.114 1.00 0.00 H new ATOM 0 HG12 VAL A -10 -19.032 35.735 41.552 1.00 0.00 H new ATOM 0 HG13 VAL A -10 -19.558 35.335 43.204 1.00 0.00 H new ATOM 0 HG21 VAL A -10 -20.898 38.060 43.745 1.00 0.00 H new ATOM 0 HG22 VAL A -10 -19.818 37.248 44.903 1.00 0.00 H new ATOM 0 HG23 VAL A -10 -19.464 38.909 44.372 1.00 0.00 H new ATOM 147 N LYS A -9 -16.153 37.847 41.464 1.00 0.00 N ATOM 148 CA LYS A -9 -15.336 37.622 40.277 1.00 0.00 C ATOM 149 C LYS A -9 -14.198 36.647 40.568 1.00 0.00 C ATOM 150 O LYS A -9 -13.734 35.937 39.677 1.00 0.00 O ATOM 151 CB LYS A -9 -14.767 38.946 39.764 1.00 0.00 C ATOM 152 CG LYS A -9 -15.722 39.711 38.865 1.00 0.00 C ATOM 153 CD LYS A -9 -15.871 39.038 37.510 1.00 0.00 C ATOM 154 CE LYS A -9 -17.005 39.652 36.705 1.00 0.00 C ATOM 155 NZ LYS A -9 -16.868 39.373 35.248 1.00 0.00 N ATOM 0 H LYS A -9 -16.232 38.825 41.741 1.00 0.00 H new ATOM 0 HA LYS A -9 -15.975 37.185 39.510 1.00 0.00 H new ATOM 0 HB2 LYS A -9 -14.503 39.573 40.616 1.00 0.00 H new ATOM 0 HB3 LYS A -9 -13.846 38.748 39.216 1.00 0.00 H new ATOM 0 HG2 LYS A -9 -16.697 39.783 39.346 1.00 0.00 H new ATOM 0 HG3 LYS A -9 -15.358 40.729 38.729 1.00 0.00 H new ATOM 0 HD2 LYS A -9 -14.938 39.128 36.953 1.00 0.00 H new ATOM 0 HD3 LYS A -9 -16.058 37.973 37.650 1.00 0.00 H new ATOM 0 HE2 LYS A -9 -17.957 39.259 37.062 1.00 0.00 H new ATOM 0 HE3 LYS A -9 -17.024 40.730 36.868 1.00 0.00 H new ATOM 0 HZ1 LYS A -9 -17.661 39.809 34.735 1.00 0.00 H new ATOM 0 HZ2 LYS A -9 -15.971 39.770 34.901 1.00 0.00 H new ATOM 0 HZ3 LYS A -9 -16.876 38.345 35.089 1.00 0.00 H new ATOM 169 N GLU A -8 -13.754 36.616 41.821 1.00 0.00 N ATOM 170 CA GLU A -8 -12.671 35.726 42.225 1.00 0.00 C ATOM 171 C GLU A -8 -13.024 34.274 41.935 1.00 0.00 C ATOM 172 O GLU A -8 -12.492 33.663 41.008 1.00 0.00 O ATOM 173 CB GLU A -8 -12.358 35.906 43.713 1.00 0.00 C ATOM 174 CG GLU A -8 -10.881 36.128 43.999 1.00 0.00 C ATOM 175 CD GLU A -8 -10.635 37.297 44.933 1.00 0.00 C ATOM 176 OE1 GLU A -8 -11.216 37.307 46.039 1.00 0.00 O ATOM 177 OE2 GLU A -8 -9.862 38.204 44.558 1.00 0.00 O ATOM 0 H GLU A -8 -14.127 37.196 42.573 1.00 0.00 H new ATOM 0 HA GLU A -8 -11.786 35.986 41.645 1.00 0.00 H new ATOM 0 HB2 GLU A -8 -12.926 36.754 44.096 1.00 0.00 H new ATOM 0 HB3 GLU A -8 -12.697 35.024 44.257 1.00 0.00 H new ATOM 0 HG2 GLU A -8 -10.460 35.223 44.437 1.00 0.00 H new ATOM 0 HG3 GLU A -8 -10.355 36.302 43.060 1.00 0.00 H new ATOM 184 N MET A -7 -13.926 33.735 42.737 1.00 0.00 N ATOM 185 CA MET A -7 -14.368 32.352 42.586 1.00 0.00 C ATOM 186 C MET A -7 -14.870 32.089 41.169 1.00 0.00 C ATOM 187 O MET A -7 -14.734 30.981 40.646 1.00 0.00 O ATOM 188 CB MET A -7 -15.474 32.037 43.596 1.00 0.00 C ATOM 189 CG MET A -7 -16.645 33.004 43.537 1.00 0.00 C ATOM 190 SD MET A -7 -17.874 32.533 42.305 1.00 0.00 S ATOM 191 CE MET A -7 -19.236 32.038 43.358 1.00 0.00 C ATOM 0 H MET A -7 -14.372 34.235 43.506 1.00 0.00 H new ATOM 0 HA MET A -7 -13.513 31.702 42.775 1.00 0.00 H new ATOM 0 HB2 MET A -7 -15.839 31.026 43.418 1.00 0.00 H new ATOM 0 HB3 MET A -7 -15.052 32.051 44.601 1.00 0.00 H new ATOM 0 HG2 MET A -7 -17.119 33.054 44.517 1.00 0.00 H new ATOM 0 HG3 MET A -7 -16.274 34.004 43.311 1.00 0.00 H new ATOM 0 HE1 MET A -7 -20.076 31.719 42.741 1.00 0.00 H new ATOM 0 HE2 MET A -7 -18.921 31.213 43.997 1.00 0.00 H new ATOM 0 HE3 MET A -7 -19.541 32.881 43.978 1.00 0.00 H new ATOM 201 N LYS A -6 -15.451 33.116 40.553 1.00 0.00 N ATOM 202 CA LYS A -6 -15.975 33.000 39.196 1.00 0.00 C ATOM 203 C LYS A -6 -14.905 32.478 38.243 1.00 0.00 C ATOM 204 O LYS A -6 -15.048 31.399 37.667 1.00 0.00 O ATOM 205 CB LYS A -6 -16.493 34.354 38.707 1.00 0.00 C ATOM 206 CG LYS A -6 -17.713 34.251 37.807 1.00 0.00 C ATOM 207 CD LYS A -6 -19.000 34.198 38.615 1.00 0.00 C ATOM 208 CE LYS A -6 -20.226 34.298 37.722 1.00 0.00 C ATOM 209 NZ LYS A -6 -20.880 32.975 37.526 1.00 0.00 N ATOM 0 H LYS A -6 -15.570 34.038 40.973 1.00 0.00 H new ATOM 0 HA LYS A -6 -16.801 32.289 39.213 1.00 0.00 H new ATOM 0 HB2 LYS A -6 -16.740 34.972 39.570 1.00 0.00 H new ATOM 0 HB3 LYS A -6 -15.696 34.865 38.167 1.00 0.00 H new ATOM 0 HG2 LYS A -6 -17.741 35.106 37.132 1.00 0.00 H new ATOM 0 HG3 LYS A -6 -17.635 33.358 37.187 1.00 0.00 H new ATOM 0 HD2 LYS A -6 -19.037 33.267 39.181 1.00 0.00 H new ATOM 0 HD3 LYS A -6 -19.009 35.012 39.339 1.00 0.00 H new ATOM 0 HE2 LYS A -6 -20.940 34.994 38.162 1.00 0.00 H new ATOM 0 HE3 LYS A -6 -19.937 34.707 36.754 1.00 0.00 H new ATOM 0 HZ1 LYS A -6 -21.712 33.086 36.911 1.00 0.00 H new ATOM 0 HZ2 LYS A -6 -20.207 32.318 37.082 1.00 0.00 H new ATOM 0 HZ3 LYS A -6 -21.179 32.596 38.447 1.00 0.00 H new ATOM 223 N GLN A -5 -13.831 33.246 38.084 1.00 0.00 N ATOM 224 CA GLN A -5 -12.741 32.852 37.206 1.00 0.00 C ATOM 225 C GLN A -5 -11.744 31.944 37.922 1.00 0.00 C ATOM 226 O GLN A -5 -10.615 31.762 37.467 1.00 0.00 O ATOM 227 CB GLN A -5 -12.012 34.090 36.715 1.00 0.00 C ATOM 228 CG GLN A -5 -12.690 34.777 35.541 1.00 0.00 C ATOM 229 CD GLN A -5 -13.354 36.083 35.932 1.00 0.00 C ATOM 230 OE1 GLN A -5 -14.679 36.067 36.028 1.00 0.00 O flip ATOM 231 NE2 GLN A -5 -12.686 37.094 36.145 1.00 0.00 N flip ATOM 0 H GLN A -5 -13.695 34.142 38.552 1.00 0.00 H new ATOM 0 HA GLN A -5 -13.170 32.302 36.368 1.00 0.00 H new ATOM 0 HB2 GLN A -5 -11.925 34.799 37.538 1.00 0.00 H new ATOM 0 HB3 GLN A -5 -10.999 33.812 36.425 1.00 0.00 H new ATOM 0 HG2 GLN A -5 -11.952 34.968 34.762 1.00 0.00 H new ATOM 0 HG3 GLN A -5 -13.437 34.107 35.115 1.00 0.00 H new ATOM 0 HE21 GLN A -5 -11.670 37.061 36.060 1.00 0.00 H new ATOM 0 HE22 GLN A -5 -13.148 37.965 36.407 1.00 0.00 H new ATOM 240 N LEU A -4 -12.175 31.371 39.033 1.00 0.00 N ATOM 241 CA LEU A -4 -11.333 30.471 39.812 1.00 0.00 C ATOM 242 C LEU A -4 -11.495 29.040 39.331 1.00 0.00 C ATOM 243 O LEU A -4 -10.537 28.399 38.897 1.00 0.00 O ATOM 244 CB LEU A -4 -11.677 30.566 41.298 1.00 0.00 C ATOM 245 CG LEU A -4 -10.522 30.259 42.252 1.00 0.00 C ATOM 246 CD1 LEU A -4 -9.580 31.449 42.349 1.00 0.00 C ATOM 247 CD2 LEU A -4 -11.053 29.883 43.627 1.00 0.00 C ATOM 0 H LEU A -4 -13.108 31.513 39.420 1.00 0.00 H new ATOM 0 HA LEU A -4 -10.294 30.771 39.673 1.00 0.00 H new ATOM 0 HB2 LEU A -4 -12.043 31.571 41.507 1.00 0.00 H new ATOM 0 HB3 LEU A -4 -12.496 29.878 41.510 1.00 0.00 H new ATOM 0 HG LEU A -4 -9.963 29.411 41.856 1.00 0.00 H new ATOM 0 HD11 LEU A -4 -8.764 31.213 43.032 1.00 0.00 H new ATOM 0 HD12 LEU A -4 -9.174 31.673 41.363 1.00 0.00 H new ATOM 0 HD13 LEU A -4 -10.126 32.316 42.722 1.00 0.00 H new ATOM 0 HD21 LEU A -4 -10.218 29.668 44.293 1.00 0.00 H new ATOM 0 HD22 LEU A -4 -11.635 30.711 44.031 1.00 0.00 H new ATOM 0 HD23 LEU A -4 -11.687 29.000 43.543 1.00 0.00 H new ATOM 259 N HIS A -3 -12.719 28.552 39.416 1.00 0.00 N ATOM 260 CA HIS A -3 -13.039 27.194 38.995 1.00 0.00 C ATOM 261 C HIS A -3 -12.863 27.029 37.488 1.00 0.00 C ATOM 262 O HIS A -3 -12.697 25.915 36.992 1.00 0.00 O ATOM 263 CB HIS A -3 -14.470 26.836 39.396 1.00 0.00 C ATOM 264 CG HIS A -3 -14.748 25.365 39.369 1.00 0.00 C ATOM 265 ND1 HIS A -3 -13.786 24.423 39.070 1.00 0.00 N ATOM 266 CD2 HIS A -3 -15.889 24.673 39.607 1.00 0.00 C ATOM 267 CE1 HIS A -3 -14.322 23.216 39.124 1.00 0.00 C ATOM 268 NE2 HIS A -3 -15.596 23.341 39.448 1.00 0.00 N ATOM 0 H HIS A -3 -13.516 29.078 39.775 1.00 0.00 H new ATOM 0 HA HIS A -3 -12.348 26.516 39.496 1.00 0.00 H new ATOM 0 HB2 HIS A -3 -14.663 27.216 40.399 1.00 0.00 H new ATOM 0 HB3 HIS A -3 -15.164 27.341 38.724 1.00 0.00 H new ATOM 0 HD2 HIS A -3 -16.849 25.091 39.872 1.00 0.00 H new ATOM 0 HE1 HIS A -3 -13.806 22.286 38.935 1.00 0.00 H new ATOM 0 HE2 HIS A -3 -16.256 22.572 39.562 1.00 0.00 H new ATOM 277 N GLY A -2 -12.902 28.143 36.766 1.00 0.00 N ATOM 278 CA GLY A -2 -12.747 28.099 35.324 1.00 0.00 C ATOM 279 C GLY A -2 -12.021 29.314 34.782 1.00 0.00 C ATOM 280 O GLY A -2 -12.429 30.449 35.025 1.00 0.00 O ATOM 0 H GLY A -2 -13.038 29.077 37.154 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -12.198 27.199 35.048 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -13.730 28.029 34.858 1.00 0.00 H new ATOM 284 N GLY A -1 -10.941 29.075 34.044 1.00 0.00 N ATOM 285 CA GLY A -1 -10.174 30.168 33.476 1.00 0.00 C ATOM 286 C GLY A -1 -9.145 29.692 32.471 1.00 0.00 C ATOM 287 O GLY A -1 -8.048 30.244 32.386 1.00 0.00 O ATOM 0 H GLY A -1 -10.584 28.144 33.830 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -10.852 30.871 32.992 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -9.671 30.710 34.277 1.00 0.00 H new ATOM 291 N VAL A 1 -9.499 28.665 31.704 1.00 0.00 N ATOM 292 CA VAL A 1 -8.599 28.115 30.699 1.00 0.00 C ATOM 293 C VAL A 1 -9.290 28.005 29.344 1.00 0.00 C ATOM 294 O VAL A 1 -10.212 27.208 29.170 1.00 0.00 O ATOM 295 CB VAL A 1 -8.079 26.725 31.111 1.00 0.00 C ATOM 296 CG1 VAL A 1 -6.994 26.254 30.155 1.00 0.00 C ATOM 297 CG2 VAL A 1 -7.565 26.751 32.542 1.00 0.00 C ATOM 0 H VAL A 1 -10.404 28.197 31.760 1.00 0.00 H new ATOM 0 HA VAL A 1 -7.756 28.801 30.620 1.00 0.00 H new ATOM 0 HB VAL A 1 -8.907 26.018 31.059 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -6.640 25.270 30.463 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -7.400 26.194 29.145 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -6.164 26.960 30.171 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -7.202 25.761 32.816 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -6.751 27.471 32.623 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -8.373 27.040 33.214 1.00 0.00 H new ATOM 307 N ASN A 2 -8.839 28.810 28.389 1.00 0.00 N ATOM 308 CA ASN A 2 -9.414 28.804 27.049 1.00 0.00 C ATOM 309 C ASN A 2 -8.320 28.784 25.986 1.00 0.00 C ATOM 310 O ASN A 2 -8.380 29.524 25.003 1.00 0.00 O ATOM 311 CB ASN A 2 -10.313 30.026 26.852 1.00 0.00 C ATOM 312 CG ASN A 2 -11.540 29.713 26.018 1.00 0.00 C ATOM 313 OD1 ASN A 2 -12.664 29.707 26.522 1.00 0.00 O ATOM 314 ND2 ASN A 2 -11.331 29.451 24.733 1.00 0.00 N ATOM 0 H ASN A 2 -8.077 29.475 28.518 1.00 0.00 H new ATOM 0 HA ASN A 2 -10.014 27.900 26.942 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -10.626 30.404 27.825 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -9.742 30.820 26.370 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -12.118 29.234 24.122 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -10.383 29.467 24.357 1.00 0.00 H new ATOM 321 N TYR A 3 -7.321 27.931 26.190 1.00 0.00 N ATOM 322 CA TYR A 3 -6.212 27.814 25.249 1.00 0.00 C ATOM 323 C TYR A 3 -5.448 29.131 25.141 1.00 0.00 C ATOM 324 O TYR A 3 -5.162 29.607 24.042 1.00 0.00 O ATOM 325 CB TYR A 3 -6.727 27.392 23.871 1.00 0.00 C ATOM 326 CG TYR A 3 -7.520 26.105 23.889 1.00 0.00 C ATOM 327 CD1 TYR A 3 -6.889 24.880 24.067 1.00 0.00 C ATOM 328 CD2 TYR A 3 -8.900 26.115 23.729 1.00 0.00 C ATOM 329 CE1 TYR A 3 -7.611 23.701 24.082 1.00 0.00 C ATOM 330 CE2 TYR A 3 -9.628 24.940 23.745 1.00 0.00 C ATOM 331 CZ TYR A 3 -8.979 23.737 23.922 1.00 0.00 C ATOM 332 OH TYR A 3 -9.702 22.566 23.939 1.00 0.00 O ATOM 0 H TYR A 3 -7.256 27.311 26.998 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.530 27.050 25.622 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -7.352 28.188 23.466 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -5.880 27.277 23.195 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -5.817 24.848 24.196 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -9.412 27.056 23.590 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -7.105 22.757 24.218 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -10.700 24.965 23.619 1.00 0.00 H new ATOM 0 HH TYR A 3 -10.653 22.767 23.814 1.00 0.00 H new ATOM 342 N GLY A 4 -5.122 29.715 26.289 1.00 0.00 N ATOM 343 CA GLY A 4 -4.395 30.972 26.301 1.00 0.00 C ATOM 344 C GLY A 4 -3.006 30.844 25.706 1.00 0.00 C ATOM 345 O GLY A 4 -2.471 31.803 25.151 1.00 0.00 O ATOM 0 H GLY A 4 -5.348 29.341 27.211 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.959 31.720 25.743 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.316 31.333 27.327 1.00 0.00 H new ATOM 349 N ASN A 5 -2.421 29.656 25.822 1.00 0.00 N ATOM 350 CA ASN A 5 -1.086 29.407 25.292 1.00 0.00 C ATOM 351 C ASN A 5 -1.153 28.910 23.857 1.00 0.00 C ATOM 352 O ASN A 5 -0.766 29.610 22.921 1.00 0.00 O ATOM 353 CB ASN A 5 -0.347 28.392 26.166 1.00 0.00 C ATOM 354 CG ASN A 5 1.112 28.249 25.780 1.00 0.00 C ATOM 355 OD1 ASN A 5 1.458 28.259 24.598 1.00 0.00 O ATOM 356 ND2 ASN A 5 1.978 28.119 26.778 1.00 0.00 N ATOM 0 H ASN A 5 -2.851 28.851 26.278 1.00 0.00 H new ATOM 0 HA ASN A 5 -0.538 30.349 25.302 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -0.415 28.698 27.210 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -0.838 27.422 26.085 1.00 0.00 H new ATOM 0 HD21 ASN A 5 2.974 28.022 26.580 1.00 0.00 H new ATOM 0 HD22 ASN A 5 1.647 28.116 27.743 1.00 0.00 H new ATOM 363 N GLY A 6 -1.650 27.696 23.697 1.00 0.00 N ATOM 364 CA GLY A 6 -1.772 27.105 22.378 1.00 0.00 C ATOM 365 C GLY A 6 -0.516 26.368 21.954 1.00 0.00 C ATOM 366 O GLY A 6 0.472 26.987 21.559 1.00 0.00 O ATOM 0 H GLY A 6 -1.974 27.103 24.461 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -2.615 26.414 22.369 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -1.993 27.887 21.652 1.00 0.00 H new ATOM 370 N VAL A 7 -0.554 25.042 22.035 1.00 0.00 N ATOM 371 CA VAL A 7 0.588 24.220 21.654 1.00 0.00 C ATOM 372 C VAL A 7 0.946 24.432 20.188 1.00 0.00 C ATOM 373 O VAL A 7 0.138 24.937 19.409 1.00 0.00 O ATOM 374 CB VAL A 7 0.315 22.721 21.891 1.00 0.00 C ATOM 375 CG1 VAL A 7 1.608 21.925 21.829 1.00 0.00 C ATOM 376 CG2 VAL A 7 -0.387 22.506 23.223 1.00 0.00 C ATOM 0 H VAL A 7 -1.364 24.514 22.361 1.00 0.00 H new ATOM 0 HA VAL A 7 1.423 24.530 22.283 1.00 0.00 H new ATOM 0 HB VAL A 7 -0.343 22.364 21.099 1.00 0.00 H new ATOM 0 HG11 VAL A 7 1.394 20.870 21.999 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.065 22.049 20.847 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.294 22.284 22.597 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.570 21.442 23.370 1.00 0.00 H new ATOM 0 HG22 VAL A 7 0.242 22.881 24.030 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.337 23.041 23.224 1.00 0.00 H new ATOM 386 N SER A 8 2.162 24.045 19.815 1.00 0.00 N ATOM 387 CA SER A 8 2.622 24.198 18.441 1.00 0.00 C ATOM 388 C SER A 8 3.804 23.279 18.150 1.00 0.00 C ATOM 389 O SER A 8 4.262 22.541 19.022 1.00 0.00 O ATOM 390 CB SER A 8 3.013 25.654 18.176 1.00 0.00 C ATOM 391 OG SER A 8 2.332 26.168 17.046 1.00 0.00 O ATOM 0 H SER A 8 2.845 23.624 20.445 1.00 0.00 H new ATOM 0 HA SER A 8 1.803 23.919 17.778 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.781 26.261 19.051 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.089 25.722 18.017 1.00 0.00 H new ATOM 0 HG SER A 8 2.598 27.100 16.900 1.00 0.00 H new ATOM 397 N CYS A 9 4.293 23.333 16.915 1.00 0.00 N ATOM 398 CA CYS A 9 5.424 22.510 16.497 1.00 0.00 C ATOM 399 C CYS A 9 6.646 22.786 17.366 1.00 0.00 C ATOM 400 O CYS A 9 7.202 23.884 17.342 1.00 0.00 O ATOM 401 CB CYS A 9 5.771 22.764 15.024 1.00 0.00 C ATOM 402 SG CYS A 9 4.333 23.055 13.938 1.00 0.00 S ATOM 0 H CYS A 9 3.923 23.940 16.184 1.00 0.00 H new ATOM 0 HA CYS A 9 5.134 21.466 16.616 1.00 0.00 H new ATOM 0 HB2 CYS A 9 6.434 23.627 14.965 1.00 0.00 H new ATOM 0 HB3 CYS A 9 6.328 21.908 14.644 1.00 0.00 H new ATOM 407 N SER A 10 7.059 21.782 18.132 1.00 0.00 N ATOM 408 CA SER A 10 8.217 21.915 19.007 1.00 0.00 C ATOM 409 C SER A 10 8.736 20.547 19.431 1.00 0.00 C ATOM 410 O SER A 10 8.060 19.810 20.150 1.00 0.00 O ATOM 411 CB SER A 10 7.860 22.742 20.243 1.00 0.00 C ATOM 412 OG SER A 10 6.875 23.714 19.940 1.00 0.00 O ATOM 0 H SER A 10 6.609 20.867 18.164 1.00 0.00 H new ATOM 0 HA SER A 10 9.002 22.428 18.451 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.495 22.084 21.032 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.754 23.233 20.626 1.00 0.00 H new ATOM 0 HG SER A 10 7.110 24.168 19.104 1.00 0.00 H new ATOM 418 N LYS A 11 9.945 20.216 18.987 1.00 0.00 N ATOM 419 CA LYS A 11 10.565 18.939 19.325 1.00 0.00 C ATOM 420 C LYS A 11 9.741 17.756 18.829 1.00 0.00 C ATOM 421 O LYS A 11 10.005 16.610 19.196 1.00 0.00 O ATOM 422 CB LYS A 11 10.734 18.850 20.831 1.00 0.00 C ATOM 423 CG LYS A 11 11.993 18.120 21.267 1.00 0.00 C ATOM 424 CD LYS A 11 13.195 19.051 21.302 1.00 0.00 C ATOM 425 CE LYS A 11 14.471 18.331 20.898 1.00 0.00 C ATOM 426 NZ LYS A 11 14.859 18.631 19.491 1.00 0.00 N ATOM 0 H LYS A 11 10.516 20.816 18.391 1.00 0.00 H new ATOM 0 HA LYS A 11 11.535 18.893 18.831 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.748 19.858 21.245 1.00 0.00 H new ATOM 0 HB3 LYS A 11 9.867 18.343 21.255 1.00 0.00 H new ATOM 0 HG2 LYS A 11 11.839 17.686 22.255 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.191 17.294 20.583 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.024 19.893 20.631 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.310 19.461 22.305 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.280 18.624 21.567 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.333 17.256 21.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.734 18.120 19.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.099 18.329 18.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.016 19.654 19.385 1.00 0.00 H new ATOM 440 N THR A 12 8.741 18.034 18.010 1.00 0.00 N ATOM 441 CA THR A 12 7.879 16.993 17.482 1.00 0.00 C ATOM 442 C THR A 12 7.315 17.366 16.102 1.00 0.00 C ATOM 443 O THR A 12 6.536 16.611 15.519 1.00 0.00 O ATOM 444 CB THR A 12 6.761 16.710 18.495 1.00 0.00 C ATOM 445 OG1 THR A 12 7.092 15.588 19.294 1.00 0.00 O ATOM 446 CG2 THR A 12 5.404 16.440 17.880 1.00 0.00 C ATOM 0 H THR A 12 8.506 18.976 17.696 1.00 0.00 H new ATOM 0 HA THR A 12 8.465 16.086 17.335 1.00 0.00 H new ATOM 0 HB THR A 12 6.684 17.626 19.080 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.054 15.591 19.479 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.678 16.251 18.670 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.090 17.306 17.298 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.467 15.568 17.229 1.00 0.00 H new ATOM 454 N LYS A 13 7.723 18.520 15.571 1.00 0.00 N ATOM 455 CA LYS A 13 7.260 18.960 14.258 1.00 0.00 C ATOM 456 C LYS A 13 5.743 18.957 14.175 1.00 0.00 C ATOM 457 O LYS A 13 5.162 18.796 13.101 1.00 0.00 O ATOM 458 CB LYS A 13 7.827 18.050 13.192 1.00 0.00 C ATOM 459 CG LYS A 13 8.359 18.785 11.972 1.00 0.00 C ATOM 460 CD LYS A 13 9.619 19.571 12.302 1.00 0.00 C ATOM 461 CE LYS A 13 9.579 20.968 11.701 1.00 0.00 C ATOM 462 NZ LYS A 13 8.887 21.938 12.594 1.00 0.00 N ATOM 0 H LYS A 13 8.370 19.162 16.029 1.00 0.00 H new ATOM 0 HA LYS A 13 7.606 19.982 14.100 1.00 0.00 H new ATOM 0 HB2 LYS A 13 8.632 17.456 13.626 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.052 17.352 12.874 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.573 18.069 11.179 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.595 19.463 11.592 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.731 19.642 13.384 1.00 0.00 H new ATOM 0 HD3 LYS A 13 10.491 19.037 11.925 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.596 21.311 11.512 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.070 20.934 10.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.911 22.884 12.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.899 21.643 12.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.367 21.965 13.516 1.00 0.00 H new ATOM 476 N CYS A 14 5.125 19.128 15.323 1.00 0.00 N ATOM 477 CA CYS A 14 3.665 19.150 15.447 1.00 0.00 C ATOM 478 C CYS A 14 3.012 18.085 14.569 1.00 0.00 C ATOM 479 O CYS A 14 1.999 18.339 13.918 1.00 0.00 O ATOM 480 CB CYS A 14 3.106 20.534 15.093 1.00 0.00 C ATOM 481 SG CYS A 14 3.667 21.192 13.489 1.00 0.00 S ATOM 0 H CYS A 14 5.615 19.257 16.208 1.00 0.00 H new ATOM 0 HA CYS A 14 3.426 18.928 16.487 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.017 20.481 15.088 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.388 21.236 15.877 1.00 0.00 H new ATOM 486 N SER A 15 3.599 16.892 14.554 1.00 0.00 N ATOM 487 CA SER A 15 3.071 15.795 13.753 1.00 0.00 C ATOM 488 C SER A 15 3.388 14.445 14.390 1.00 0.00 C ATOM 489 O SER A 15 4.252 14.342 15.261 1.00 0.00 O ATOM 490 CB SER A 15 3.645 15.849 12.337 1.00 0.00 C ATOM 491 OG SER A 15 3.131 16.960 11.621 1.00 0.00 O ATOM 0 H SER A 15 4.438 16.662 15.086 1.00 0.00 H new ATOM 0 HA SER A 15 1.988 15.906 13.706 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.732 15.914 12.384 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.403 14.927 11.808 1.00 0.00 H new ATOM 0 HG SER A 15 3.609 17.772 11.890 1.00 0.00 H new ATOM 497 N VAL A 16 2.678 13.412 13.945 1.00 0.00 N ATOM 498 CA VAL A 16 2.874 12.063 14.462 1.00 0.00 C ATOM 499 C VAL A 16 4.302 11.577 14.192 1.00 0.00 C ATOM 500 O VAL A 16 5.185 12.374 13.875 1.00 0.00 O ATOM 501 CB VAL A 16 1.837 11.087 13.847 1.00 0.00 C ATOM 502 CG1 VAL A 16 2.341 10.475 12.545 1.00 0.00 C ATOM 503 CG2 VAL A 16 1.452 10.005 14.849 1.00 0.00 C ATOM 0 H VAL A 16 1.959 13.485 13.225 1.00 0.00 H new ATOM 0 HA VAL A 16 2.724 12.088 15.541 1.00 0.00 H new ATOM 0 HB VAL A 16 0.944 11.664 13.608 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.586 9.797 12.145 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.536 11.267 11.822 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.261 9.922 12.735 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.724 9.332 14.396 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.340 9.440 15.134 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.017 10.468 15.735 1.00 0.00 H new ATOM 513 N ASN A 17 4.521 10.270 14.312 1.00 0.00 N ATOM 514 CA ASN A 17 5.836 9.686 14.076 1.00 0.00 C ATOM 515 C ASN A 17 6.086 9.518 12.583 1.00 0.00 C ATOM 516 O ASN A 17 6.371 8.420 12.103 1.00 0.00 O ATOM 517 CB ASN A 17 5.951 8.333 14.784 1.00 0.00 C ATOM 518 CG ASN A 17 6.537 8.455 16.177 1.00 0.00 C ATOM 519 OD1 ASN A 17 6.044 9.223 17.005 1.00 0.00 O ATOM 520 ND2 ASN A 17 7.594 7.698 16.442 1.00 0.00 N ATOM 0 H ASN A 17 3.802 9.595 14.572 1.00 0.00 H new ATOM 0 HA ASN A 17 6.590 10.361 14.481 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.964 7.875 14.847 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.574 7.666 14.188 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.032 7.738 17.362 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.969 7.076 15.725 1.00 0.00 H new ATOM 527 N TRP A 18 5.971 10.620 11.851 1.00 0.00 N ATOM 528 CA TRP A 18 6.173 10.616 10.408 1.00 0.00 C ATOM 529 C TRP A 18 7.656 10.504 10.036 1.00 0.00 C ATOM 530 O TRP A 18 8.009 10.592 8.861 1.00 0.00 O ATOM 531 CB TRP A 18 5.576 11.883 9.791 1.00 0.00 C ATOM 532 CG TRP A 18 4.644 11.606 8.650 1.00 0.00 C ATOM 533 CD1 TRP A 18 3.424 10.998 8.718 1.00 0.00 C ATOM 534 CD2 TRP A 18 4.857 11.927 7.270 1.00 0.00 C ATOM 535 NE1 TRP A 18 2.864 10.922 7.465 1.00 0.00 N ATOM 536 CE2 TRP A 18 3.725 11.485 6.559 1.00 0.00 C ATOM 537 CE3 TRP A 18 5.895 12.545 6.568 1.00 0.00 C ATOM 538 CZ2 TRP A 18 3.604 11.642 5.181 1.00 0.00 C ATOM 539 CZ3 TRP A 18 5.773 12.701 5.199 1.00 0.00 C ATOM 540 CH2 TRP A 18 4.634 12.252 4.519 1.00 0.00 C ATOM 0 H TRP A 18 5.737 11.534 12.238 1.00 0.00 H new ATOM 0 HA TRP A 18 5.665 9.738 10.009 1.00 0.00 H new ATOM 0 HB2 TRP A 18 5.040 12.436 10.562 1.00 0.00 H new ATOM 0 HB3 TRP A 18 6.385 12.525 9.442 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.966 10.630 9.624 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.956 10.513 7.245 1.00 0.00 H new ATOM 0 HE3 TRP A 18 6.777 12.895 7.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 2.728 11.295 4.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 6.569 13.177 4.646 1.00 0.00 H new ATOM 0 HH2 TRP A 18 4.567 12.390 3.450 1.00 0.00 H new ATOM 551 N GLY A 19 8.519 10.313 11.033 1.00 0.00 N ATOM 552 CA GLY A 19 9.941 10.195 10.767 1.00 0.00 C ATOM 553 C GLY A 19 10.455 8.782 10.979 1.00 0.00 C ATOM 554 O GLY A 19 11.016 8.173 10.066 1.00 0.00 O ATOM 0 H GLY A 19 8.258 10.238 12.016 1.00 0.00 H new ATOM 0 HA2 GLY A 19 10.142 10.502 9.741 1.00 0.00 H new ATOM 0 HA3 GLY A 19 10.487 10.879 11.417 1.00 0.00 H new ATOM 558 N GLN A 20 10.262 8.258 12.185 1.00 0.00 N ATOM 559 CA GLN A 20 10.708 6.908 12.509 1.00 0.00 C ATOM 560 C GLN A 20 10.140 5.902 11.519 1.00 0.00 C ATOM 561 O GLN A 20 10.885 5.300 10.745 1.00 0.00 O ATOM 562 CB GLN A 20 10.298 6.536 13.936 1.00 0.00 C ATOM 563 CG GLN A 20 11.418 6.695 14.951 1.00 0.00 C ATOM 564 CD GLN A 20 12.544 5.703 14.738 1.00 0.00 C ATOM 565 OE1 GLN A 20 12.308 4.508 14.558 1.00 0.00 O ATOM 566 NE2 GLN A 20 13.777 6.194 14.755 1.00 0.00 N ATOM 0 H GLN A 20 9.801 8.746 12.952 1.00 0.00 H new ATOM 0 HA GLN A 20 11.796 6.883 12.441 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.455 7.158 14.237 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.952 5.503 13.948 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.816 7.708 14.892 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.013 6.569 15.955 1.00 0.00 H new ATOM 0 HE21 GLN A 20 13.927 7.191 14.908 1.00 0.00 H new ATOM 0 HE22 GLN A 20 14.575 5.574 14.615 1.00 0.00 H new ATOM 575 N ALA A 21 8.820 5.720 11.529 1.00 0.00 N ATOM 576 CA ALA A 21 8.199 4.783 10.602 1.00 0.00 C ATOM 577 C ALA A 21 8.361 5.220 9.161 1.00 0.00 C ATOM 578 O ALA A 21 8.016 4.492 8.229 1.00 0.00 O ATOM 579 CB ALA A 21 6.745 4.521 10.939 1.00 0.00 C ATOM 0 H ALA A 21 8.174 6.199 12.156 1.00 0.00 H new ATOM 0 HA ALA A 21 8.730 3.838 10.718 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.326 3.817 10.220 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.674 4.101 11.942 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.188 5.457 10.897 1.00 0.00 H new ATOM 585 N PHE A 22 8.942 6.382 8.992 1.00 0.00 N ATOM 586 CA PHE A 22 9.227 6.909 7.671 1.00 0.00 C ATOM 587 C PHE A 22 10.343 6.066 7.089 1.00 0.00 C ATOM 588 O PHE A 22 10.325 5.686 5.919 1.00 0.00 O ATOM 589 CB PHE A 22 9.645 8.378 7.741 1.00 0.00 C ATOM 590 CG PHE A 22 9.189 9.190 6.563 1.00 0.00 C ATOM 591 CD1 PHE A 22 7.875 9.125 6.126 1.00 0.00 C ATOM 592 CD2 PHE A 22 10.074 10.018 5.891 1.00 0.00 C ATOM 593 CE1 PHE A 22 7.453 9.871 5.042 1.00 0.00 C ATOM 594 CE2 PHE A 22 9.658 10.766 4.806 1.00 0.00 C ATOM 595 CZ PHE A 22 8.346 10.692 4.381 1.00 0.00 C ATOM 0 H PHE A 22 9.231 6.990 9.758 1.00 0.00 H new ATOM 0 HA PHE A 22 8.336 6.864 7.044 1.00 0.00 H new ATOM 0 HB2 PHE A 22 9.242 8.819 8.653 1.00 0.00 H new ATOM 0 HB3 PHE A 22 10.731 8.435 7.812 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.173 8.484 6.639 1.00 0.00 H new ATOM 0 HD2 PHE A 22 11.101 10.079 6.219 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.426 9.812 4.712 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.358 11.408 4.291 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.019 11.275 3.533 1.00 0.00 H new ATOM 605 N GLN A 23 11.288 5.733 7.961 1.00 0.00 N ATOM 606 CA GLN A 23 12.401 4.879 7.604 1.00 0.00 C ATOM 607 C GLN A 23 11.893 3.440 7.483 1.00 0.00 C ATOM 608 O GLN A 23 12.479 2.614 6.783 1.00 0.00 O ATOM 609 CB GLN A 23 13.499 4.983 8.671 1.00 0.00 C ATOM 610 CG GLN A 23 14.527 3.862 8.616 1.00 0.00 C ATOM 611 CD GLN A 23 14.369 2.869 9.750 1.00 0.00 C ATOM 612 OE1 GLN A 23 13.862 3.207 10.820 1.00 0.00 O ATOM 613 NE2 GLN A 23 14.805 1.636 9.523 1.00 0.00 N ATOM 0 H GLN A 23 11.299 6.049 8.931 1.00 0.00 H new ATOM 0 HA GLN A 23 12.827 5.191 6.650 1.00 0.00 H new ATOM 0 HB2 GLN A 23 14.012 5.938 8.557 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.034 4.987 9.657 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.437 3.338 7.664 1.00 0.00 H new ATOM 0 HG3 GLN A 23 15.529 4.291 8.650 1.00 0.00 H new ATOM 0 HE21 GLN A 23 15.219 1.399 8.621 1.00 0.00 H new ATOM 0 HE22 GLN A 23 14.726 0.925 10.250 1.00 0.00 H new ATOM 622 N GLU A 24 10.781 3.165 8.171 1.00 0.00 N ATOM 623 CA GLU A 24 10.158 1.851 8.156 1.00 0.00 C ATOM 624 C GLU A 24 9.402 1.626 6.851 1.00 0.00 C ATOM 625 O GLU A 24 9.539 0.583 6.211 1.00 0.00 O ATOM 626 CB GLU A 24 9.201 1.703 9.340 1.00 0.00 C ATOM 627 CG GLU A 24 9.901 1.690 10.688 1.00 0.00 C ATOM 628 CD GLU A 24 8.963 1.337 11.828 1.00 0.00 C ATOM 629 OE1 GLU A 24 7.855 1.911 11.884 1.00 0.00 O ATOM 630 OE2 GLU A 24 9.338 0.488 12.663 1.00 0.00 O ATOM 0 H GLU A 24 10.294 3.849 8.750 1.00 0.00 H new ATOM 0 HA GLU A 24 10.946 1.102 8.237 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.483 2.522 9.321 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.634 0.779 9.225 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.721 0.972 10.661 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.341 2.670 10.874 1.00 0.00 H new ATOM 637 N ARG A 25 8.600 2.614 6.464 1.00 0.00 N ATOM 638 CA ARG A 25 7.815 2.532 5.238 1.00 0.00 C ATOM 639 C ARG A 25 8.719 2.403 4.020 1.00 0.00 C ATOM 640 O ARG A 25 8.377 1.742 3.040 1.00 0.00 O ATOM 641 CB ARG A 25 6.910 3.764 5.106 1.00 0.00 C ATOM 642 CG ARG A 25 7.617 5.012 4.595 1.00 0.00 C ATOM 643 CD ARG A 25 7.317 5.263 3.126 1.00 0.00 C ATOM 644 NE ARG A 25 8.158 6.322 2.570 1.00 0.00 N ATOM 645 CZ ARG A 25 7.858 7.005 1.467 1.00 0.00 C ATOM 646 NH1 ARG A 25 6.744 6.740 0.795 1.00 0.00 N ATOM 647 NH2 ARG A 25 8.677 7.954 1.034 1.00 0.00 N ATOM 0 H ARG A 25 8.477 3.483 6.984 1.00 0.00 H new ATOM 0 HA ARG A 25 7.190 1.640 5.290 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.088 3.525 4.431 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.471 3.983 6.079 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.304 5.875 5.183 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.693 4.904 4.734 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.471 4.343 2.562 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.268 5.535 3.011 1.00 0.00 H new ATOM 0 HE ARG A 25 9.025 6.551 3.055 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.112 6.010 1.123 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.520 7.267 -0.049 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.535 8.160 1.546 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.449 8.478 0.189 1.00 0.00 H new ATOM 661 N TYR A 26 9.873 3.042 4.098 1.00 0.00 N ATOM 662 CA TYR A 26 10.843 3.014 3.012 1.00 0.00 C ATOM 663 C TYR A 26 11.360 1.598 2.781 1.00 0.00 C ATOM 664 O TYR A 26 11.684 1.220 1.655 1.00 0.00 O ATOM 665 CB TYR A 26 12.012 3.953 3.322 1.00 0.00 C ATOM 666 CG TYR A 26 12.456 4.778 2.136 1.00 0.00 C ATOM 667 CD1 TYR A 26 11.553 5.571 1.440 1.00 0.00 C ATOM 668 CD2 TYR A 26 13.779 4.764 1.712 1.00 0.00 C ATOM 669 CE1 TYR A 26 11.954 6.327 0.355 1.00 0.00 C ATOM 670 CE2 TYR A 26 14.188 5.518 0.628 1.00 0.00 C ATOM 671 CZ TYR A 26 13.273 6.297 -0.047 1.00 0.00 C ATOM 672 OH TYR A 26 13.677 7.048 -1.126 1.00 0.00 O ATOM 0 H TYR A 26 10.165 3.591 4.907 1.00 0.00 H new ATOM 0 HA TYR A 26 10.345 3.352 2.103 1.00 0.00 H new ATOM 0 HB2 TYR A 26 11.724 4.623 4.133 1.00 0.00 H new ATOM 0 HB3 TYR A 26 12.856 3.363 3.680 1.00 0.00 H new ATOM 0 HD1 TYR A 26 10.519 5.597 1.752 1.00 0.00 H new ATOM 0 HD2 TYR A 26 14.499 4.154 2.238 1.00 0.00 H new ATOM 0 HE1 TYR A 26 11.239 6.938 -0.175 1.00 0.00 H new ATOM 0 HE2 TYR A 26 15.220 5.497 0.311 1.00 0.00 H new ATOM 0 HH TYR A 26 14.636 6.915 -1.276 1.00 0.00 H new ATOM 682 N THR A 27 11.433 0.818 3.853 1.00 0.00 N ATOM 683 CA THR A 27 11.910 -0.557 3.768 1.00 0.00 C ATOM 684 C THR A 27 10.921 -1.429 3.000 1.00 0.00 C ATOM 685 O THR A 27 11.316 -2.246 2.168 1.00 0.00 O ATOM 686 CB THR A 27 12.132 -1.129 5.169 1.00 0.00 C ATOM 687 OG1 THR A 27 13.055 -0.335 5.893 1.00 0.00 O ATOM 688 CG2 THR A 27 12.657 -2.549 5.162 1.00 0.00 C ATOM 0 H THR A 27 11.168 1.115 4.792 1.00 0.00 H new ATOM 0 HA THR A 27 12.858 -0.554 3.230 1.00 0.00 H new ATOM 0 HB THR A 27 11.149 -1.125 5.641 1.00 0.00 H new ATOM 0 HG1 THR A 27 12.660 0.543 6.074 1.00 0.00 H new ATOM 0 HG21 THR A 27 12.792 -2.892 6.188 1.00 0.00 H new ATOM 0 HG22 THR A 27 11.944 -3.198 4.653 1.00 0.00 H new ATOM 0 HG23 THR A 27 13.614 -2.581 4.640 1.00 0.00 H new ATOM 696 N ALA A 28 9.635 -1.250 3.284 1.00 0.00 N ATOM 697 CA ALA A 28 8.591 -2.021 2.620 1.00 0.00 C ATOM 698 C ALA A 28 8.618 -1.801 1.110 1.00 0.00 C ATOM 699 O ALA A 28 8.495 -2.748 0.333 1.00 0.00 O ATOM 700 CB ALA A 28 7.227 -1.655 3.183 1.00 0.00 C ATOM 0 H ALA A 28 9.291 -0.578 3.970 1.00 0.00 H new ATOM 0 HA ALA A 28 8.780 -3.078 2.809 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.457 -2.238 2.678 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.204 -1.871 4.251 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.041 -0.593 3.024 1.00 0.00 H new ATOM 706 N GLY A 29 8.778 -0.547 0.701 1.00 0.00 N ATOM 707 CA GLY A 29 8.816 -0.227 -0.714 1.00 0.00 C ATOM 708 C GLY A 29 10.084 -0.714 -1.389 1.00 0.00 C ATOM 709 O GLY A 29 10.027 -1.435 -2.385 1.00 0.00 O ATOM 0 H GLY A 29 8.882 0.254 1.324 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.952 -0.673 -1.207 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.733 0.852 -0.841 1.00 0.00 H new ATOM 713 N ILE A 30 11.230 -0.318 -0.846 1.00 0.00 N ATOM 714 CA ILE A 30 12.516 -0.717 -1.403 1.00 0.00 C ATOM 715 C ILE A 30 12.652 -2.238 -1.446 1.00 0.00 C ATOM 716 O ILE A 30 13.395 -2.780 -2.264 1.00 0.00 O ATOM 717 CB ILE A 30 13.688 -0.126 -0.593 1.00 0.00 C ATOM 718 CG1 ILE A 30 13.578 1.399 -0.538 1.00 0.00 C ATOM 719 CG2 ILE A 30 15.021 -0.541 -1.198 1.00 0.00 C ATOM 720 CD1 ILE A 30 14.432 2.029 0.540 1.00 0.00 C ATOM 0 H ILE A 30 11.294 0.279 -0.021 1.00 0.00 H new ATOM 0 HA ILE A 30 12.555 -0.326 -2.420 1.00 0.00 H new ATOM 0 HB ILE A 30 13.637 -0.517 0.423 1.00 0.00 H new ATOM 0 HG12 ILE A 30 13.866 1.811 -1.505 1.00 0.00 H new ATOM 0 HG13 ILE A 30 12.536 1.674 -0.372 1.00 0.00 H new ATOM 0 HG21 ILE A 30 15.835 -0.114 -0.612 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.101 -1.628 -1.192 1.00 0.00 H new ATOM 0 HG23 ILE A 30 15.083 -0.179 -2.224 1.00 0.00 H new ATOM 0 HD11 ILE A 30 14.304 3.111 0.520 1.00 0.00 H new ATOM 0 HD12 ILE A 30 14.129 1.646 1.514 1.00 0.00 H new ATOM 0 HD13 ILE A 30 15.479 1.785 0.364 1.00 0.00 H new ATOM 732 N ASN A 31 11.930 -2.923 -0.563 1.00 0.00 N ATOM 733 CA ASN A 31 11.974 -4.381 -0.506 1.00 0.00 C ATOM 734 C ASN A 31 11.709 -4.993 -1.879 1.00 0.00 C ATOM 735 O ASN A 31 12.593 -5.609 -2.474 1.00 0.00 O ATOM 736 CB ASN A 31 10.946 -4.905 0.501 1.00 0.00 C ATOM 737 CG ASN A 31 11.185 -6.356 0.867 1.00 0.00 C ATOM 738 OD1 ASN A 31 11.032 -7.252 0.036 1.00 0.00 O ATOM 739 ND2 ASN A 31 11.560 -6.597 2.118 1.00 0.00 N ATOM 0 H ASN A 31 11.309 -2.493 0.122 1.00 0.00 H new ATOM 0 HA ASN A 31 12.974 -4.673 -0.185 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.981 -4.295 1.403 1.00 0.00 H new ATOM 0 HB3 ASN A 31 9.945 -4.798 0.083 1.00 0.00 H new ATOM 0 HD21 ASN A 31 11.733 -7.555 2.423 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.675 -5.824 2.774 1.00 0.00 H new ATOM 746 N SER A 32 10.491 -4.814 -2.376 1.00 0.00 N ATOM 747 CA SER A 32 10.114 -5.347 -3.680 1.00 0.00 C ATOM 748 C SER A 32 10.997 -4.763 -4.777 1.00 0.00 C ATOM 749 O SER A 32 11.288 -5.424 -5.773 1.00 0.00 O ATOM 750 CB SER A 32 8.644 -5.045 -3.975 1.00 0.00 C ATOM 751 OG SER A 32 8.287 -3.750 -3.522 1.00 0.00 O ATOM 0 H SER A 32 9.748 -4.305 -1.897 1.00 0.00 H new ATOM 0 HA SER A 32 10.255 -6.428 -3.659 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.462 -5.121 -5.047 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.012 -5.790 -3.491 1.00 0.00 H new ATOM 0 HG SER A 32 7.343 -3.581 -3.724 1.00 0.00 H new ATOM 757 N PHE A 33 11.418 -3.517 -4.585 1.00 0.00 N ATOM 758 CA PHE A 33 12.268 -2.839 -5.555 1.00 0.00 C ATOM 759 C PHE A 33 13.625 -3.527 -5.667 1.00 0.00 C ATOM 760 O PHE A 33 14.117 -3.776 -6.767 1.00 0.00 O ATOM 761 CB PHE A 33 12.455 -1.371 -5.161 1.00 0.00 C ATOM 762 CG PHE A 33 11.562 -0.430 -5.917 1.00 0.00 C ATOM 763 CD1 PHE A 33 11.780 -0.180 -7.262 1.00 0.00 C ATOM 764 CD2 PHE A 33 10.506 0.203 -5.284 1.00 0.00 C ATOM 765 CE1 PHE A 33 10.961 0.686 -7.962 1.00 0.00 C ATOM 766 CE2 PHE A 33 9.682 1.070 -5.978 1.00 0.00 C ATOM 767 CZ PHE A 33 9.911 1.311 -7.319 1.00 0.00 C ATOM 0 H PHE A 33 11.184 -2.957 -3.766 1.00 0.00 H new ATOM 0 HA PHE A 33 11.778 -2.887 -6.527 1.00 0.00 H new ATOM 0 HB2 PHE A 33 12.264 -1.262 -4.093 1.00 0.00 H new ATOM 0 HB3 PHE A 33 13.494 -1.087 -5.329 1.00 0.00 H new ATOM 0 HD1 PHE A 33 12.599 -0.667 -7.770 1.00 0.00 H new ATOM 0 HD2 PHE A 33 10.324 0.018 -4.236 1.00 0.00 H new ATOM 0 HE1 PHE A 33 11.142 0.873 -9.010 1.00 0.00 H new ATOM 0 HE2 PHE A 33 8.861 1.558 -5.473 1.00 0.00 H new ATOM 0 HZ PHE A 33 9.269 1.988 -7.864 1.00 0.00 H new ATOM 777 N VAL A 34 14.226 -3.830 -4.520 1.00 0.00 N ATOM 778 CA VAL A 34 15.527 -4.487 -4.491 1.00 0.00 C ATOM 779 C VAL A 34 15.487 -5.821 -5.230 1.00 0.00 C ATOM 780 O VAL A 34 16.007 -5.932 -6.333 1.00 0.00 O ATOM 781 CB VAL A 34 16.013 -4.716 -3.044 1.00 0.00 C ATOM 782 CG1 VAL A 34 17.376 -5.396 -3.031 1.00 0.00 C ATOM 783 CG2 VAL A 34 16.063 -3.398 -2.284 1.00 0.00 C ATOM 0 H VAL A 34 13.833 -3.631 -3.600 1.00 0.00 H new ATOM 0 HA VAL A 34 16.229 -3.822 -4.994 1.00 0.00 H new ATOM 0 HB VAL A 34 15.302 -5.375 -2.545 1.00 0.00 H new ATOM 0 HG11 VAL A 34 17.698 -5.547 -2.000 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.306 -6.360 -3.534 1.00 0.00 H new ATOM 0 HG13 VAL A 34 18.101 -4.768 -3.549 1.00 0.00 H new ATOM 0 HG21 VAL A 34 16.408 -3.578 -1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 34 16.750 -2.715 -2.784 1.00 0.00 H new ATOM 0 HG23 VAL A 34 15.067 -2.956 -2.257 1.00 0.00 H new ATOM 793 N SER A 35 14.888 -6.835 -4.615 1.00 0.00 N ATOM 794 CA SER A 35 14.822 -8.153 -5.215 1.00 0.00 C ATOM 795 C SER A 35 14.371 -8.104 -6.654 1.00 0.00 C ATOM 796 O SER A 35 14.846 -8.890 -7.474 1.00 0.00 O ATOM 797 CB SER A 35 13.892 -9.059 -4.409 1.00 0.00 C ATOM 798 OG SER A 35 13.877 -8.691 -3.041 1.00 0.00 O ATOM 0 H SER A 35 14.442 -6.764 -3.700 1.00 0.00 H new ATOM 0 HA SER A 35 15.832 -8.562 -5.200 1.00 0.00 H new ATOM 0 HB2 SER A 35 12.882 -9.001 -4.815 1.00 0.00 H new ATOM 0 HB3 SER A 35 14.216 -10.095 -4.506 1.00 0.00 H new ATOM 0 HG SER A 35 13.273 -9.285 -2.549 1.00 0.00 H new ATOM 804 N GLY A 36 13.510 -7.172 -6.993 1.00 0.00 N ATOM 805 CA GLY A 36 13.119 -7.073 -8.378 1.00 0.00 C ATOM 806 C GLY A 36 14.373 -7.009 -9.222 1.00 0.00 C ATOM 807 O GLY A 36 14.544 -7.758 -10.184 1.00 0.00 O ATOM 0 H GLY A 36 13.082 -6.498 -6.358 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.512 -7.932 -8.664 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.508 -6.184 -8.538 1.00 0.00 H new ATOM 811 N VAL A 37 15.263 -6.115 -8.807 1.00 0.00 N ATOM 812 CA VAL A 37 16.545 -5.918 -9.440 1.00 0.00 C ATOM 813 C VAL A 37 17.664 -6.768 -8.816 1.00 0.00 C ATOM 814 O VAL A 37 18.331 -7.546 -9.498 1.00 0.00 O ATOM 815 CB VAL A 37 16.955 -4.434 -9.370 1.00 0.00 C ATOM 816 CG1 VAL A 37 18.264 -4.196 -10.109 1.00 0.00 C ATOM 817 CG2 VAL A 37 15.850 -3.551 -9.931 1.00 0.00 C ATOM 0 H VAL A 37 15.104 -5.501 -8.008 1.00 0.00 H new ATOM 0 HA VAL A 37 16.422 -6.236 -10.475 1.00 0.00 H new ATOM 0 HB VAL A 37 17.109 -4.171 -8.323 1.00 0.00 H new ATOM 0 HG11 VAL A 37 18.531 -3.141 -10.045 1.00 0.00 H new ATOM 0 HG12 VAL A 37 19.052 -4.798 -9.657 1.00 0.00 H new ATOM 0 HG13 VAL A 37 18.147 -4.478 -11.155 1.00 0.00 H new ATOM 0 HG21 VAL A 37 16.155 -2.506 -9.874 1.00 0.00 H new ATOM 0 HG22 VAL A 37 15.663 -3.819 -10.971 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.939 -3.695 -9.350 1.00 0.00 H new ATOM 827 N ALA A 38 17.904 -6.532 -7.520 1.00 0.00 N ATOM 828 CA ALA A 38 18.980 -7.171 -6.773 1.00 0.00 C ATOM 829 C ALA A 38 18.684 -8.560 -6.230 1.00 0.00 C ATOM 830 O ALA A 38 19.253 -9.561 -6.668 1.00 0.00 O ATOM 831 CB ALA A 38 19.383 -6.274 -5.609 1.00 0.00 C ATOM 0 H ALA A 38 17.348 -5.885 -6.961 1.00 0.00 H new ATOM 0 HA ALA A 38 19.780 -7.307 -7.501 1.00 0.00 H new ATOM 0 HB1 ALA A 38 20.188 -6.747 -5.047 1.00 0.00 H new ATOM 0 HB2 ALA A 38 19.725 -5.312 -5.992 1.00 0.00 H new ATOM 0 HB3 ALA A 38 18.525 -6.120 -4.955 1.00 0.00 H new ATOM 837 N SER A 39 17.862 -8.574 -5.194 1.00 0.00 N ATOM 838 CA SER A 39 17.539 -9.784 -4.459 1.00 0.00 C ATOM 839 C SER A 39 16.850 -10.859 -5.302 1.00 0.00 C ATOM 840 O SER A 39 16.783 -12.017 -4.891 1.00 0.00 O ATOM 841 CB SER A 39 16.711 -9.399 -3.242 1.00 0.00 C ATOM 842 OG SER A 39 17.306 -9.879 -2.049 1.00 0.00 O ATOM 0 H SER A 39 17.397 -7.739 -4.837 1.00 0.00 H new ATOM 0 HA SER A 39 18.474 -10.249 -4.147 1.00 0.00 H new ATOM 0 HB2 SER A 39 16.613 -8.315 -3.193 1.00 0.00 H new ATOM 0 HB3 SER A 39 15.704 -9.806 -3.339 1.00 0.00 H new ATOM 0 HG SER A 39 16.756 -9.617 -1.281 1.00 0.00 H new ATOM 848 N GLY A 40 16.361 -10.493 -6.480 1.00 0.00 N ATOM 849 CA GLY A 40 15.715 -11.467 -7.343 1.00 0.00 C ATOM 850 C GLY A 40 14.508 -12.107 -6.694 1.00 0.00 C ATOM 851 O GLY A 40 14.452 -13.325 -6.526 1.00 0.00 O ATOM 0 H GLY A 40 16.399 -9.545 -6.853 1.00 0.00 H new ATOM 0 HA2 GLY A 40 15.410 -10.981 -8.269 1.00 0.00 H new ATOM 0 HA3 GLY A 40 16.433 -12.242 -7.611 1.00 0.00 H new ATOM 855 N ALA A 41 13.545 -11.278 -6.329 1.00 0.00 N ATOM 856 CA ALA A 41 12.325 -11.752 -5.695 1.00 0.00 C ATOM 857 C ALA A 41 11.236 -10.686 -5.730 1.00 0.00 C ATOM 858 O ALA A 41 10.527 -10.474 -4.746 1.00 0.00 O ATOM 859 CB ALA A 41 12.610 -12.178 -4.262 1.00 0.00 C ATOM 0 H ALA A 41 13.584 -10.267 -6.462 1.00 0.00 H new ATOM 0 HA ALA A 41 11.964 -12.615 -6.254 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.689 -12.531 -3.797 1.00 0.00 H new ATOM 0 HB2 ALA A 41 13.348 -12.980 -4.261 1.00 0.00 H new ATOM 0 HB3 ALA A 41 12.997 -11.328 -3.700 1.00 0.00 H new ATOM 865 N GLY A 42 11.106 -10.017 -6.872 1.00 0.00 N ATOM 866 CA GLY A 42 10.099 -8.983 -7.015 1.00 0.00 C ATOM 867 C GLY A 42 8.997 -9.377 -7.980 1.00 0.00 C ATOM 868 O GLY A 42 7.863 -8.917 -7.858 1.00 0.00 O ATOM 0 H GLY A 42 11.680 -10.173 -7.700 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.663 -8.767 -6.039 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.572 -8.065 -7.364 1.00 0.00 H new ATOM 872 N SER A 43 9.334 -10.232 -8.940 1.00 0.00 N ATOM 873 CA SER A 43 8.366 -10.690 -9.930 1.00 0.00 C ATOM 874 C SER A 43 8.719 -12.088 -10.432 1.00 0.00 C ATOM 875 O SER A 43 8.448 -12.433 -11.582 1.00 0.00 O ATOM 876 CB SER A 43 8.307 -9.714 -11.106 1.00 0.00 C ATOM 877 OG SER A 43 7.303 -8.734 -10.905 1.00 0.00 O ATOM 0 H SER A 43 10.270 -10.622 -9.053 1.00 0.00 H new ATOM 0 HA SER A 43 7.388 -10.732 -9.451 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.275 -9.228 -11.228 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.106 -10.261 -12.027 1.00 0.00 H new ATOM 0 HG SER A 43 7.218 -8.545 -9.947 1.00 0.00 H new ATOM 883 N ILE A 44 9.325 -12.887 -9.560 1.00 0.00 N ATOM 884 CA ILE A 44 9.716 -14.248 -9.912 1.00 0.00 C ATOM 885 C ILE A 44 9.008 -15.268 -9.023 1.00 0.00 C ATOM 886 O ILE A 44 9.644 -16.131 -8.418 1.00 0.00 O ATOM 887 CB ILE A 44 11.243 -14.441 -9.799 1.00 0.00 C ATOM 888 CG1 ILE A 44 11.644 -15.843 -10.269 1.00 0.00 C ATOM 889 CG2 ILE A 44 11.708 -14.200 -8.369 1.00 0.00 C ATOM 890 CD1 ILE A 44 12.327 -15.856 -11.618 1.00 0.00 C ATOM 0 H ILE A 44 9.556 -12.616 -8.604 1.00 0.00 H new ATOM 0 HA ILE A 44 9.418 -14.409 -10.948 1.00 0.00 H new ATOM 0 HB ILE A 44 11.731 -13.711 -10.445 1.00 0.00 H new ATOM 0 HG12 ILE A 44 12.310 -16.289 -9.530 1.00 0.00 H new ATOM 0 HG13 ILE A 44 10.754 -16.470 -10.316 1.00 0.00 H new ATOM 0 HG21 ILE A 44 12.787 -14.341 -8.309 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.458 -13.182 -8.072 1.00 0.00 H new ATOM 0 HG23 ILE A 44 11.212 -14.905 -7.702 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.582 -16.881 -11.887 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.656 -15.440 -12.370 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.236 -15.256 -11.571 1.00 0.00 H new ATOM 902 N GLY A 45 7.684 -15.161 -8.949 1.00 0.00 N ATOM 903 CA GLY A 45 6.910 -16.078 -8.132 1.00 0.00 C ATOM 904 C GLY A 45 5.800 -16.755 -8.912 1.00 0.00 C ATOM 905 O GLY A 45 5.538 -17.944 -8.727 1.00 0.00 O ATOM 0 H GLY A 45 7.134 -14.456 -9.440 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.573 -16.837 -7.716 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.480 -15.535 -7.291 1.00 0.00 H new ATOM 909 N ARG A 46 5.143 -15.996 -9.784 1.00 0.00 N ATOM 910 CA ARG A 46 4.053 -16.531 -10.593 1.00 0.00 C ATOM 911 C ARG A 46 2.907 -17.015 -9.709 1.00 0.00 C ATOM 912 O ARG A 46 1.978 -16.219 -9.459 1.00 0.00 O ATOM 913 CB ARG A 46 4.558 -17.679 -11.472 1.00 0.00 C ATOM 914 CG ARG A 46 4.762 -17.287 -12.926 1.00 0.00 C ATOM 915 CD ARG A 46 3.442 -17.221 -13.679 1.00 0.00 C ATOM 916 NE ARG A 46 2.974 -15.846 -13.842 1.00 0.00 N ATOM 917 CZ ARG A 46 1.959 -15.498 -14.629 1.00 0.00 C ATOM 918 NH1 ARG A 46 1.304 -16.419 -15.325 1.00 0.00 N ATOM 919 NH2 ARG A 46 1.598 -14.225 -14.721 1.00 0.00 N ATOM 920 OXT ARG A 46 2.950 -18.184 -9.273 1.00 0.00 O ATOM 0 H ARG A 46 5.346 -15.010 -9.948 1.00 0.00 H new ATOM 0 HA ARG A 46 3.681 -15.731 -11.233 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.501 -18.047 -11.068 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.847 -18.503 -11.423 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.259 -16.318 -12.976 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.421 -18.008 -13.409 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.560 -17.683 -14.659 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.689 -17.799 -13.143 1.00 0.00 H new ATOM 0 HE ARG A 46 3.453 -15.111 -13.322 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.578 -17.399 -15.258 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.527 -16.147 -15.927 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.098 -13.513 -14.189 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.820 -13.958 -15.324 1.00 0.00 H new TER 934 ARG A 46