USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 561 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 THR OG1 : rot 1:sc= 0.722! USER MOD Set 1.2: A 68 GLN :FLIP amide:sc= 0 F(o=-1,f=0.72) USER MOD Set 2.1: A 18 LYS NZ :NH3+ -155:sc= -0.0474 (180deg=-0.683) USER MOD Set 2.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.347 USER MOD Single : A 17 ASN : amide:sc= 0.388 K(o=0.39,f=-0.49) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -14.9! C(o=-15!,f=-15!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 159:sc= -3.1! (180deg=-5.02!) USER MOD Single : A 65 SER OG : rot -119:sc= -0.0114 USER MOD Single : A 74 MET CE :methyl -151:sc= -0.247 (180deg=-1.01) USER MOD Single : A 75 SER OG : rot 180:sc= 0.00995 USER MOD Single : A 77 GLN :FLIP amide:sc= -5.94! C(o=-8.4!,f=-5.9!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 8:sc= 0.265 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.0057) USER MOD ----------------------------------------------------------------- ATOM 90 N VAL A 7 -14.229 -5.164 -2.549 1.00 0.00 N ATOM 91 CA VAL A 7 -14.407 -3.905 -1.844 1.00 0.00 C ATOM 92 C VAL A 7 -13.521 -2.792 -2.413 1.00 0.00 C ATOM 93 O VAL A 7 -14.038 -1.838 -2.993 1.00 0.00 O ATOM 94 CB VAL A 7 -14.171 -4.063 -0.320 1.00 0.00 C ATOM 95 CG1 VAL A 7 -15.367 -3.527 0.452 1.00 0.00 C ATOM 96 CG2 VAL A 7 -13.918 -5.519 0.047 1.00 0.00 C ATOM 0 HA VAL A 7 -15.445 -3.611 -1.998 1.00 0.00 H new ATOM 0 HB VAL A 7 -13.285 -3.487 -0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -15.191 -3.643 1.521 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.507 -2.471 0.219 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -16.261 -4.082 0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -13.756 -5.600 1.122 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -14.781 -6.121 -0.236 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -13.035 -5.879 -0.482 1.00 0.00 H new ATOM 106 N PRO A 8 -12.182 -2.856 -2.241 1.00 0.00 N ATOM 107 CA PRO A 8 -11.277 -1.826 -2.717 1.00 0.00 C ATOM 108 C PRO A 8 -10.451 -2.254 -3.947 1.00 0.00 C ATOM 109 O PRO A 8 -11.004 -2.529 -5.012 1.00 0.00 O ATOM 110 CB PRO A 8 -10.404 -1.693 -1.481 1.00 0.00 C ATOM 111 CG PRO A 8 -10.170 -3.120 -1.090 1.00 0.00 C ATOM 112 CD PRO A 8 -11.405 -3.890 -1.534 1.00 0.00 C ATOM 0 HA PRO A 8 -11.769 -0.917 -3.065 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.470 -1.174 -1.698 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.903 -1.133 -0.690 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.273 -3.513 -1.569 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.022 -3.209 -0.014 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.151 -4.725 -2.187 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.953 -4.303 -0.687 1.00 0.00 H new ATOM 120 N LEU A 9 -9.122 -2.291 -3.786 1.00 0.00 N ATOM 121 CA LEU A 9 -8.198 -2.662 -4.856 1.00 0.00 C ATOM 122 C LEU A 9 -8.461 -4.072 -5.384 1.00 0.00 C ATOM 123 O LEU A 9 -8.479 -5.040 -4.625 1.00 0.00 O ATOM 124 CB LEU A 9 -6.764 -2.580 -4.305 1.00 0.00 C ATOM 125 CG LEU A 9 -5.594 -2.754 -5.301 1.00 0.00 C ATOM 126 CD1 LEU A 9 -6.046 -3.321 -6.629 1.00 0.00 C ATOM 127 CD2 LEU A 9 -4.873 -1.434 -5.528 1.00 0.00 C ATOM 0 H LEU A 9 -8.660 -2.063 -2.906 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.341 -1.974 -5.689 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.648 -1.611 -3.819 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.660 -3.340 -3.531 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.907 -3.469 -4.849 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.187 -3.424 -7.292 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.501 -4.299 -6.471 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.776 -2.650 -7.082 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.054 -1.583 -6.232 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.572 -0.703 -5.934 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.475 -1.069 -4.581 1.00 0.00 H new ATOM 139 N THR A 10 -8.618 -4.178 -6.704 1.00 0.00 N ATOM 140 CA THR A 10 -8.825 -5.465 -7.350 1.00 0.00 C ATOM 141 C THR A 10 -7.505 -5.958 -7.944 1.00 0.00 C ATOM 142 O THR A 10 -6.889 -5.274 -8.760 1.00 0.00 O ATOM 143 CB THR A 10 -9.877 -5.358 -8.452 1.00 0.00 C ATOM 144 OG1 THR A 10 -11.157 -5.098 -7.902 1.00 0.00 O ATOM 145 CG2 THR A 10 -9.982 -6.613 -9.295 1.00 0.00 C ATOM 0 H THR A 10 -8.605 -3.384 -7.344 1.00 0.00 H new ATOM 0 HA THR A 10 -9.180 -6.174 -6.603 1.00 0.00 H new ATOM 0 HB THR A 10 -9.551 -4.536 -9.089 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.816 -5.031 -8.624 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.746 -6.475 -10.060 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.022 -6.812 -9.772 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.253 -7.456 -8.660 1.00 0.00 H new ATOM 153 N PHE A 11 -7.078 -7.140 -7.525 1.00 0.00 N ATOM 154 CA PHE A 11 -5.829 -7.721 -8.008 1.00 0.00 C ATOM 155 C PHE A 11 -6.060 -8.541 -9.280 1.00 0.00 C ATOM 156 O PHE A 11 -7.185 -8.635 -9.772 1.00 0.00 O ATOM 157 CB PHE A 11 -5.209 -8.588 -6.912 1.00 0.00 C ATOM 158 CG PHE A 11 -5.907 -9.889 -6.733 1.00 0.00 C ATOM 159 CD1 PHE A 11 -7.066 -9.982 -5.985 1.00 0.00 C ATOM 160 CD2 PHE A 11 -5.402 -11.017 -7.333 1.00 0.00 C ATOM 161 CE1 PHE A 11 -7.711 -11.193 -5.846 1.00 0.00 C ATOM 162 CE2 PHE A 11 -6.033 -12.228 -7.198 1.00 0.00 C ATOM 163 CZ PHE A 11 -7.192 -12.318 -6.456 1.00 0.00 C ATOM 0 H PHE A 11 -7.578 -7.719 -6.850 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.140 -6.913 -8.257 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.162 -8.774 -7.153 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.227 -8.040 -5.970 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.469 -9.101 -5.507 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.497 -10.950 -7.918 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.618 -11.261 -5.263 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.623 -13.108 -7.671 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.694 -13.269 -6.352 1.00 0.00 H new ATOM 173 N THR A 12 -4.988 -9.125 -9.811 1.00 0.00 N ATOM 174 CA THR A 12 -5.079 -9.929 -11.036 1.00 0.00 C ATOM 175 C THR A 12 -5.459 -11.377 -10.724 1.00 0.00 C ATOM 176 O THR A 12 -5.986 -11.671 -9.661 1.00 0.00 O ATOM 177 CB THR A 12 -3.747 -9.890 -11.795 1.00 0.00 C ATOM 178 OG1 THR A 12 -3.929 -10.289 -13.146 1.00 0.00 O ATOM 179 CG2 THR A 12 -2.682 -10.780 -11.188 1.00 0.00 C ATOM 0 H THR A 12 -4.049 -9.060 -9.418 1.00 0.00 H new ATOM 0 HA THR A 12 -5.862 -9.500 -11.660 1.00 0.00 H new ATOM 0 HB THR A 12 -3.407 -8.856 -11.731 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.069 -10.256 -13.615 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.767 -10.704 -11.775 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.484 -10.464 -10.164 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.028 -11.814 -11.188 1.00 0.00 H new ATOM 187 N ASP A 13 -5.190 -12.280 -11.659 1.00 0.00 N ATOM 188 CA ASP A 13 -5.494 -13.694 -11.466 1.00 0.00 C ATOM 189 C ASP A 13 -4.301 -14.425 -10.864 1.00 0.00 C ATOM 190 O ASP A 13 -4.447 -15.256 -9.971 1.00 0.00 O ATOM 191 CB ASP A 13 -5.881 -14.339 -12.795 1.00 0.00 C ATOM 192 CG ASP A 13 -6.511 -15.706 -12.613 1.00 0.00 C ATOM 193 OD1 ASP A 13 -6.088 -16.431 -11.690 1.00 0.00 O ATOM 194 OD2 ASP A 13 -7.424 -16.046 -13.393 1.00 0.00 O ATOM 0 H ASP A 13 -4.762 -12.059 -12.558 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.334 -13.770 -10.775 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.578 -13.688 -13.322 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.995 -14.431 -13.423 1.00 0.00 H new ATOM 199 N ALA A 14 -3.123 -14.113 -11.381 1.00 0.00 N ATOM 200 CA ALA A 14 -1.892 -14.737 -10.924 1.00 0.00 C ATOM 201 C ALA A 14 -1.652 -14.483 -9.444 1.00 0.00 C ATOM 202 O ALA A 14 -1.233 -15.384 -8.718 1.00 0.00 O ATOM 203 CB ALA A 14 -0.713 -14.241 -11.747 1.00 0.00 C ATOM 0 H ALA A 14 -2.994 -13.426 -12.123 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.993 -15.814 -11.061 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.202 -14.716 -11.394 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.871 -14.491 -12.796 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.625 -13.160 -11.641 1.00 0.00 H new ATOM 209 N ALA A 15 -1.933 -13.266 -8.985 1.00 0.00 N ATOM 210 CA ALA A 15 -1.755 -12.950 -7.577 1.00 0.00 C ATOM 211 C ALA A 15 -2.489 -13.988 -6.747 1.00 0.00 C ATOM 212 O ALA A 15 -2.033 -14.394 -5.676 1.00 0.00 O ATOM 213 CB ALA A 15 -2.233 -11.539 -7.268 1.00 0.00 C ATOM 0 H ALA A 15 -2.279 -12.497 -9.559 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.695 -12.980 -7.325 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.088 -11.330 -6.208 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.663 -10.824 -7.861 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.291 -11.451 -7.514 1.00 0.00 H new ATOM 219 N ALA A 16 -3.605 -14.459 -7.293 1.00 0.00 N ATOM 220 CA ALA A 16 -4.385 -15.502 -6.654 1.00 0.00 C ATOM 221 C ALA A 16 -3.618 -16.805 -6.731 1.00 0.00 C ATOM 222 O ALA A 16 -3.540 -17.563 -5.765 1.00 0.00 O ATOM 223 CB ALA A 16 -5.717 -15.662 -7.358 1.00 0.00 C ATOM 0 H ALA A 16 -3.987 -14.131 -8.180 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.565 -15.233 -5.613 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.294 -16.447 -6.870 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.269 -14.723 -7.310 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.547 -15.931 -8.401 1.00 0.00 H new ATOM 229 N ASN A 17 -3.054 -17.042 -7.907 1.00 0.00 N ATOM 230 CA ASN A 17 -2.282 -18.235 -8.169 1.00 0.00 C ATOM 231 C ASN A 17 -1.103 -18.361 -7.212 1.00 0.00 C ATOM 232 O ASN A 17 -0.822 -19.440 -6.696 1.00 0.00 O ATOM 233 CB ASN A 17 -1.780 -18.229 -9.617 1.00 0.00 C ATOM 234 CG ASN A 17 -2.864 -18.551 -10.620 1.00 0.00 C ATOM 235 OD1 ASN A 17 -2.864 -19.620 -11.228 1.00 0.00 O ATOM 236 ND2 ASN A 17 -3.797 -17.621 -10.797 1.00 0.00 N ATOM 0 H ASN A 17 -3.122 -16.408 -8.703 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.934 -19.094 -8.013 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.360 -17.249 -9.846 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.972 -18.954 -9.718 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.555 -17.779 -11.461 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.755 -16.749 -10.269 1.00 0.00 H new ATOM 243 N LYS A 18 -0.416 -17.251 -6.971 1.00 0.00 N ATOM 244 CA LYS A 18 0.727 -17.243 -6.070 1.00 0.00 C ATOM 245 C LYS A 18 0.307 -17.713 -4.684 1.00 0.00 C ATOM 246 O LYS A 18 1.103 -18.285 -3.941 1.00 0.00 O ATOM 247 CB LYS A 18 1.334 -15.836 -6.000 1.00 0.00 C ATOM 248 CG LYS A 18 2.258 -15.615 -4.812 1.00 0.00 C ATOM 249 CD LYS A 18 1.477 -15.222 -3.569 1.00 0.00 C ATOM 250 CE LYS A 18 2.231 -14.204 -2.729 1.00 0.00 C ATOM 251 NZ LYS A 18 3.668 -14.561 -2.580 1.00 0.00 N ATOM 0 H LYS A 18 -0.631 -16.345 -7.388 1.00 0.00 H new ATOM 0 HA LYS A 18 1.483 -17.928 -6.453 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.889 -15.646 -6.918 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.526 -15.105 -5.959 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.824 -16.525 -4.615 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.981 -14.835 -5.051 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.512 -14.809 -3.861 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.275 -16.110 -2.970 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.148 -13.220 -3.190 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.770 -14.134 -1.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.044 -14.133 -1.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.765 -15.595 -2.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.201 -14.205 -3.399 1.00 0.00 H new ATOM 265 N VAL A 19 -0.952 -17.462 -4.346 1.00 0.00 N ATOM 266 CA VAL A 19 -1.495 -17.845 -3.057 1.00 0.00 C ATOM 267 C VAL A 19 -1.962 -19.291 -3.058 1.00 0.00 C ATOM 268 O VAL A 19 -1.371 -20.139 -2.401 1.00 0.00 O ATOM 269 CB VAL A 19 -2.673 -16.929 -2.675 1.00 0.00 C ATOM 270 CG1 VAL A 19 -3.243 -17.308 -1.315 1.00 0.00 C ATOM 271 CG2 VAL A 19 -2.237 -15.471 -2.701 1.00 0.00 C ATOM 0 H VAL A 19 -1.619 -16.990 -4.957 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.696 -17.739 -2.323 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.466 -17.063 -3.411 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.073 -16.645 -1.071 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.598 -18.338 -1.343 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.467 -17.212 -0.556 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.079 -14.835 -2.429 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.425 -15.321 -1.990 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.895 -15.211 -3.703 1.00 0.00 H new ATOM 281 N LYS A 20 -3.031 -19.558 -3.802 1.00 0.00 N ATOM 282 CA LYS A 20 -3.608 -20.887 -3.899 1.00 0.00 C ATOM 283 C LYS A 20 -2.579 -21.948 -4.285 1.00 0.00 C ATOM 284 O LYS A 20 -2.811 -23.146 -4.106 1.00 0.00 O ATOM 285 CB LYS A 20 -4.715 -20.905 -4.952 1.00 0.00 C ATOM 286 CG LYS A 20 -4.354 -20.144 -6.218 1.00 0.00 C ATOM 287 CD LYS A 20 -4.349 -21.049 -7.435 1.00 0.00 C ATOM 288 CE LYS A 20 -2.995 -21.712 -7.640 1.00 0.00 C ATOM 289 NZ LYS A 20 -3.015 -22.689 -8.762 1.00 0.00 N ATOM 0 H LYS A 20 -3.520 -18.854 -4.355 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.000 -21.123 -2.910 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.944 -21.939 -5.211 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.621 -20.475 -4.524 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.066 -19.333 -6.371 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.371 -19.687 -6.100 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.116 -21.815 -7.321 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.607 -20.469 -8.321 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.244 -20.948 -7.839 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.698 -22.220 -6.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.073 -23.117 -8.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.713 -23.433 -8.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.273 -22.201 -9.643 1.00 0.00 H new ATOM 303 N SER A 21 -1.469 -21.516 -4.862 1.00 0.00 N ATOM 304 CA SER A 21 -0.448 -22.443 -5.315 1.00 0.00 C ATOM 305 C SER A 21 0.553 -22.807 -4.226 1.00 0.00 C ATOM 306 O SER A 21 0.882 -23.979 -4.049 1.00 0.00 O ATOM 307 CB SER A 21 0.291 -21.878 -6.527 1.00 0.00 C ATOM 308 OG SER A 21 1.191 -22.823 -7.068 1.00 0.00 O ATOM 0 H SER A 21 -1.254 -20.533 -5.027 1.00 0.00 H new ATOM 0 HA SER A 21 -0.969 -23.359 -5.593 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.430 -21.582 -7.289 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.835 -20.979 -6.237 1.00 0.00 H new ATOM 0 HG SER A 21 1.648 -22.434 -7.843 1.00 0.00 H new ATOM 314 N LEU A 22 1.047 -21.815 -3.505 1.00 0.00 N ATOM 315 CA LEU A 22 2.020 -22.073 -2.453 1.00 0.00 C ATOM 316 C LEU A 22 1.323 -22.518 -1.179 1.00 0.00 C ATOM 317 O LEU A 22 1.907 -23.227 -0.363 1.00 0.00 O ATOM 318 CB LEU A 22 2.930 -20.849 -2.227 1.00 0.00 C ATOM 319 CG LEU A 22 2.632 -19.966 -1.012 1.00 0.00 C ATOM 320 CD1 LEU A 22 1.254 -19.346 -1.125 1.00 0.00 C ATOM 321 CD2 LEU A 22 2.771 -20.737 0.289 1.00 0.00 C ATOM 0 H LEU A 22 0.795 -20.834 -3.625 1.00 0.00 H new ATOM 0 HA LEU A 22 2.667 -22.891 -2.770 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.957 -21.204 -2.142 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.881 -20.224 -3.118 1.00 0.00 H new ATOM 0 HG LEU A 22 3.371 -19.165 -0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.063 -18.723 -0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.203 -18.734 -2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.504 -20.135 -1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.552 -20.077 1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.072 -21.573 0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.789 -21.115 0.381 1.00 0.00 H new ATOM 333 N ILE A 23 0.065 -22.129 -1.020 1.00 0.00 N ATOM 334 CA ILE A 23 -0.691 -22.512 0.148 1.00 0.00 C ATOM 335 C ILE A 23 -1.040 -23.981 0.067 1.00 0.00 C ATOM 336 O ILE A 23 -0.803 -24.747 1.000 1.00 0.00 O ATOM 337 CB ILE A 23 -1.964 -21.680 0.287 1.00 0.00 C ATOM 338 CG1 ILE A 23 -2.805 -21.785 -0.976 1.00 0.00 C ATOM 339 CG2 ILE A 23 -1.613 -20.236 0.556 1.00 0.00 C ATOM 340 CD1 ILE A 23 -3.908 -22.810 -0.892 1.00 0.00 C ATOM 0 H ILE A 23 -0.446 -21.550 -1.687 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.075 -22.328 1.028 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.543 -22.066 1.126 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.244 -20.810 -1.191 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.154 -22.034 -1.814 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.528 -19.651 0.653 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.038 -20.167 1.480 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.019 -19.846 -0.271 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.463 -22.825 -1.830 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.477 -23.794 -0.709 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.583 -22.552 -0.076 1.00 0.00 H new ATOM 352 N SER A 24 -1.566 -24.388 -1.083 1.00 0.00 N ATOM 353 CA SER A 24 -1.901 -25.774 -1.313 1.00 0.00 C ATOM 354 C SER A 24 -0.654 -26.629 -1.133 1.00 0.00 C ATOM 355 O SER A 24 -0.731 -27.818 -0.828 1.00 0.00 O ATOM 356 CB SER A 24 -2.459 -25.961 -2.724 1.00 0.00 C ATOM 357 OG SER A 24 -3.874 -26.038 -2.713 1.00 0.00 O ATOM 0 H SER A 24 -1.767 -23.769 -1.868 1.00 0.00 H new ATOM 0 HA SER A 24 -2.663 -26.080 -0.596 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.143 -25.130 -3.355 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.047 -26.870 -3.163 1.00 0.00 H new ATOM 0 HG SER A 24 -4.202 -26.156 -3.629 1.00 0.00 H new ATOM 363 N GLU A 25 0.498 -25.990 -1.319 1.00 0.00 N ATOM 364 CA GLU A 25 1.775 -26.656 -1.172 1.00 0.00 C ATOM 365 C GLU A 25 2.154 -26.757 0.300 1.00 0.00 C ATOM 366 O GLU A 25 2.972 -27.584 0.678 1.00 0.00 O ATOM 367 CB GLU A 25 2.860 -25.898 -1.946 1.00 0.00 C ATOM 368 CG GLU A 25 3.773 -26.816 -2.752 1.00 0.00 C ATOM 369 CD GLU A 25 5.158 -26.931 -2.152 1.00 0.00 C ATOM 370 OE1 GLU A 25 6.033 -26.109 -2.504 1.00 0.00 O ATOM 371 OE2 GLU A 25 5.371 -27.837 -1.326 1.00 0.00 O ATOM 0 H GLU A 25 0.566 -25.005 -1.574 1.00 0.00 H new ATOM 0 HA GLU A 25 1.691 -27.663 -1.580 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.386 -25.185 -2.620 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.463 -25.321 -1.244 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.324 -27.807 -2.813 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.853 -26.439 -3.772 1.00 0.00 H new ATOM 378 N GLU A 26 1.536 -25.910 1.132 1.00 0.00 N ATOM 379 CA GLU A 26 1.807 -25.939 2.556 1.00 0.00 C ATOM 380 C GLU A 26 1.028 -27.056 3.217 1.00 0.00 C ATOM 381 O GLU A 26 1.333 -27.468 4.334 1.00 0.00 O ATOM 382 CB GLU A 26 1.459 -24.605 3.201 1.00 0.00 C ATOM 383 CG GLU A 26 2.348 -23.464 2.740 1.00 0.00 C ATOM 384 CD GLU A 26 1.772 -22.098 3.070 1.00 0.00 C ATOM 385 OE1 GLU A 26 0.531 -21.972 3.138 1.00 0.00 O ATOM 386 OE2 GLU A 26 2.560 -21.153 3.259 1.00 0.00 O ATOM 0 H GLU A 26 0.855 -25.209 0.840 1.00 0.00 H new ATOM 0 HA GLU A 26 2.873 -26.121 2.695 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.421 -24.361 2.976 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.537 -24.702 4.284 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.328 -23.562 3.206 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.498 -23.539 1.663 1.00 0.00 H new ATOM 393 N GLU A 27 -0.004 -27.530 2.515 1.00 0.00 N ATOM 394 CA GLU A 27 -0.862 -28.586 3.024 1.00 0.00 C ATOM 395 C GLU A 27 -1.885 -27.991 3.978 1.00 0.00 C ATOM 396 O GLU A 27 -2.590 -28.725 4.677 1.00 0.00 O ATOM 397 CB GLU A 27 -0.043 -29.672 3.729 1.00 0.00 C ATOM 398 CG GLU A 27 -0.481 -31.090 3.379 1.00 0.00 C ATOM 399 CD GLU A 27 0.261 -32.140 4.180 1.00 0.00 C ATOM 400 OE1 GLU A 27 1.505 -32.168 4.107 1.00 0.00 O ATOM 401 OE2 GLU A 27 -0.407 -32.935 4.875 1.00 0.00 O ATOM 0 H GLU A 27 -0.261 -27.192 1.588 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.377 -29.052 2.184 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.008 -29.550 3.467 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.121 -29.532 4.807 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.552 -31.191 3.557 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.317 -31.266 2.316 1.00 0.00 H new ATOM 408 N ASN A 28 -1.970 -26.659 3.998 1.00 0.00 N ATOM 409 CA ASN A 28 -2.926 -25.992 4.864 1.00 0.00 C ATOM 410 C ASN A 28 -4.315 -26.500 4.582 1.00 0.00 C ATOM 411 O ASN A 28 -4.901 -27.213 5.394 1.00 0.00 O ATOM 412 CB ASN A 28 -2.921 -24.462 4.674 1.00 0.00 C ATOM 413 CG ASN A 28 -1.607 -23.916 4.174 1.00 0.00 C ATOM 414 OD1 ASN A 28 -0.609 -23.893 4.884 1.00 0.00 O ATOM 415 ND2 ASN A 28 -1.613 -23.464 2.927 1.00 0.00 N ATOM 0 H ASN A 28 -1.395 -26.035 3.432 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.631 -26.213 5.890 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.708 -24.190 3.971 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.164 -23.986 5.624 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.761 -23.076 2.521 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.469 -23.504 2.374 1.00 0.00 H new ATOM 422 N THR A 29 -4.838 -26.121 3.414 1.00 0.00 N ATOM 423 CA THR A 29 -6.185 -26.538 3.006 1.00 0.00 C ATOM 424 C THR A 29 -6.766 -25.618 1.935 1.00 0.00 C ATOM 425 O THR A 29 -7.376 -26.086 0.972 1.00 0.00 O ATOM 426 CB THR A 29 -7.124 -26.519 4.215 1.00 0.00 C ATOM 427 OG1 THR A 29 -8.479 -26.490 3.807 1.00 0.00 O ATOM 428 CG2 THR A 29 -6.886 -25.312 5.118 1.00 0.00 C ATOM 0 H THR A 29 -4.355 -25.530 2.737 1.00 0.00 H new ATOM 0 HA THR A 29 -6.100 -27.544 2.596 1.00 0.00 H new ATOM 0 HB THR A 29 -6.909 -27.432 4.771 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.058 -26.480 4.597 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.577 -25.346 5.960 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.861 -25.331 5.489 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.050 -24.396 4.551 1.00 0.00 H new ATOM 436 N ASP A 30 -6.605 -24.313 2.126 1.00 0.00 N ATOM 437 CA ASP A 30 -7.145 -23.324 1.201 1.00 0.00 C ATOM 438 C ASP A 30 -6.981 -21.949 1.828 1.00 0.00 C ATOM 439 O ASP A 30 -7.947 -21.310 2.238 1.00 0.00 O ATOM 440 CB ASP A 30 -8.620 -23.592 0.903 1.00 0.00 C ATOM 441 CG ASP A 30 -8.834 -24.147 -0.498 1.00 0.00 C ATOM 442 OD1 ASP A 30 -7.882 -24.729 -1.053 1.00 0.00 O ATOM 443 OD2 ASP A 30 -9.949 -23.980 -1.035 1.00 0.00 O ATOM 0 H ASP A 30 -6.102 -23.914 2.918 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.605 -23.380 0.256 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.014 -24.297 1.635 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.185 -22.667 1.015 1.00 0.00 H new ATOM 448 N LEU A 31 -5.735 -21.552 1.930 1.00 0.00 N ATOM 449 CA LEU A 31 -5.366 -20.291 2.546 1.00 0.00 C ATOM 450 C LEU A 31 -5.995 -19.095 1.863 1.00 0.00 C ATOM 451 O LEU A 31 -6.335 -19.128 0.682 1.00 0.00 O ATOM 452 CB LEU A 31 -3.856 -20.169 2.516 1.00 0.00 C ATOM 453 CG LEU A 31 -3.193 -20.120 3.873 1.00 0.00 C ATOM 454 CD1 LEU A 31 -3.820 -19.046 4.732 1.00 0.00 C ATOM 455 CD2 LEU A 31 -3.299 -21.471 4.562 1.00 0.00 C ATOM 0 H LEU A 31 -4.942 -22.094 1.588 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.740 -20.293 3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.449 -21.013 1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.590 -19.267 1.965 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.139 -19.880 3.732 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.329 -19.026 5.705 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.703 -18.077 4.246 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.881 -19.259 4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.817 -21.420 5.538 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.349 -21.733 4.689 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.807 -22.229 3.953 1.00 0.00 H new ATOM 467 N LYS A 32 -6.119 -18.030 2.639 1.00 0.00 N ATOM 468 CA LYS A 32 -6.680 -16.779 2.167 1.00 0.00 C ATOM 469 C LYS A 32 -5.619 -15.689 2.249 1.00 0.00 C ATOM 470 O LYS A 32 -5.065 -15.433 3.318 1.00 0.00 O ATOM 471 CB LYS A 32 -7.896 -16.398 3.015 1.00 0.00 C ATOM 472 CG LYS A 32 -8.983 -17.459 3.027 1.00 0.00 C ATOM 473 CD LYS A 32 -9.988 -17.216 4.142 1.00 0.00 C ATOM 474 CE LYS A 32 -10.651 -15.856 4.004 1.00 0.00 C ATOM 475 NZ LYS A 32 -11.360 -15.458 5.252 1.00 0.00 N ATOM 0 H LYS A 32 -5.832 -18.011 3.617 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.001 -16.892 1.131 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.571 -16.211 4.038 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.314 -15.465 2.638 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.498 -17.464 2.066 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.531 -18.443 3.152 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.749 -17.997 4.125 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.486 -17.281 5.107 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.898 -15.107 3.759 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.359 -15.879 3.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.800 -14.525 5.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.096 -16.159 5.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.680 -15.412 6.038 1.00 0.00 H new ATOM 489 N LEU A 33 -5.323 -15.058 1.119 1.00 0.00 N ATOM 490 CA LEU A 33 -4.316 -14.016 1.081 1.00 0.00 C ATOM 491 C LEU A 33 -4.679 -12.880 2.029 1.00 0.00 C ATOM 492 O LEU A 33 -5.851 -12.544 2.192 1.00 0.00 O ATOM 493 CB LEU A 33 -4.180 -13.490 -0.349 1.00 0.00 C ATOM 494 CG LEU A 33 -2.902 -12.705 -0.650 1.00 0.00 C ATOM 495 CD1 LEU A 33 -2.975 -11.310 -0.048 1.00 0.00 C ATOM 496 CD2 LEU A 33 -1.673 -13.447 -0.141 1.00 0.00 C ATOM 0 H LEU A 33 -5.767 -15.252 0.222 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.363 -14.435 1.404 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.234 -14.336 -1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.036 -12.850 -0.564 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.813 -12.608 -1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.057 -10.768 -0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.825 -10.775 -0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.096 -11.386 1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.778 -12.867 -0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.752 -13.585 0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.608 -14.420 -0.628 1.00 0.00 H new ATOM 508 N ARG A 34 -3.663 -12.287 2.644 1.00 0.00 N ATOM 509 CA ARG A 34 -3.868 -11.182 3.565 1.00 0.00 C ATOM 510 C ARG A 34 -2.785 -10.132 3.367 1.00 0.00 C ATOM 511 O ARG A 34 -1.671 -10.259 3.870 1.00 0.00 O ATOM 512 CB ARG A 34 -3.883 -11.675 5.010 1.00 0.00 C ATOM 513 CG ARG A 34 -4.217 -10.588 6.021 1.00 0.00 C ATOM 514 CD ARG A 34 -3.340 -10.686 7.260 1.00 0.00 C ATOM 515 NE ARG A 34 -2.390 -9.580 7.345 1.00 0.00 N ATOM 516 CZ ARG A 34 -1.785 -9.208 8.466 1.00 0.00 C ATOM 517 NH1 ARG A 34 -2.024 -9.851 9.601 1.00 0.00 N ATOM 518 NH2 ARG A 34 -0.936 -8.189 8.455 1.00 0.00 N ATOM 0 H ARG A 34 -2.687 -12.556 2.519 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.837 -10.730 3.355 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.610 -12.481 5.102 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.907 -12.097 5.251 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.087 -9.609 5.560 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.265 -10.668 6.309 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.969 -10.693 8.150 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.797 -11.631 7.246 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.179 -9.063 6.492 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.676 -10.636 9.615 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.556 -9.561 10.460 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.748 -7.691 7.585 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.471 -7.903 9.317 1.00 0.00 H new ATOM 532 N VAL A 35 -3.119 -9.111 2.596 1.00 0.00 N ATOM 533 CA VAL A 35 -2.183 -8.046 2.279 1.00 0.00 C ATOM 534 C VAL A 35 -1.943 -7.090 3.436 1.00 0.00 C ATOM 535 O VAL A 35 -2.780 -6.922 4.323 1.00 0.00 O ATOM 536 CB VAL A 35 -2.678 -7.215 1.088 1.00 0.00 C ATOM 537 CG1 VAL A 35 -1.570 -6.324 0.556 1.00 0.00 C ATOM 538 CG2 VAL A 35 -3.215 -8.114 -0.003 1.00 0.00 C ATOM 0 H VAL A 35 -4.041 -8.997 2.174 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.247 -8.552 2.044 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.490 -6.575 1.432 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.943 -5.744 -0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.238 -5.647 1.343 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.732 -6.940 0.230 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.561 -7.505 -0.838 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.425 -8.784 -0.344 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.046 -8.702 0.386 1.00 0.00 H new ATOM 548 N TYR A 36 -0.793 -6.434 3.371 1.00 0.00 N ATOM 549 CA TYR A 36 -0.394 -5.437 4.354 1.00 0.00 C ATOM 550 C TYR A 36 0.279 -4.280 3.625 1.00 0.00 C ATOM 551 O TYR A 36 0.388 -4.301 2.400 1.00 0.00 O ATOM 552 CB TYR A 36 0.546 -6.028 5.411 1.00 0.00 C ATOM 553 CG TYR A 36 1.382 -7.187 4.922 1.00 0.00 C ATOM 554 CD1 TYR A 36 0.793 -8.397 4.581 1.00 0.00 C ATOM 555 CD2 TYR A 36 2.762 -7.073 4.808 1.00 0.00 C ATOM 556 CE1 TYR A 36 1.555 -9.461 4.137 1.00 0.00 C ATOM 557 CE2 TYR A 36 3.531 -8.129 4.365 1.00 0.00 C ATOM 558 CZ TYR A 36 2.924 -9.322 4.031 1.00 0.00 C ATOM 559 OH TYR A 36 3.687 -10.379 3.589 1.00 0.00 O ATOM 0 H TYR A 36 -0.107 -6.579 2.631 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.280 -5.084 4.881 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.210 -5.242 5.769 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.047 -6.358 6.264 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.278 -8.509 4.664 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.241 -6.141 5.071 1.00 0.00 H new ATOM 0 HE1 TYR A 36 1.082 -10.396 3.875 1.00 0.00 H new ATOM 0 HE2 TYR A 36 4.602 -8.022 4.280 1.00 0.00 H new ATOM 0 HH TYR A 36 4.631 -10.116 3.571 1.00 0.00 H new ATOM 569 N ILE A 37 0.717 -3.269 4.360 1.00 0.00 N ATOM 570 CA ILE A 37 1.355 -2.121 3.731 1.00 0.00 C ATOM 571 C ILE A 37 2.871 -2.277 3.657 1.00 0.00 C ATOM 572 O ILE A 37 3.556 -2.343 4.677 1.00 0.00 O ATOM 573 CB ILE A 37 1.007 -0.807 4.458 1.00 0.00 C ATOM 574 CG1 ILE A 37 -0.433 -0.405 4.146 1.00 0.00 C ATOM 575 CG2 ILE A 37 1.965 0.303 4.042 1.00 0.00 C ATOM 576 CD1 ILE A 37 -0.684 -0.183 2.673 1.00 0.00 C ATOM 0 H ILE A 37 0.645 -3.218 5.376 1.00 0.00 H new ATOM 0 HA ILE A 37 0.963 -2.076 2.715 1.00 0.00 H new ATOM 0 HB ILE A 37 1.107 -0.964 5.532 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.107 -1.181 4.510 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.675 0.508 4.691 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.705 1.223 4.565 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.986 0.017 4.297 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.891 0.463 2.966 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.725 0.100 2.520 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.034 0.613 2.309 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.473 -1.102 2.126 1.00 0.00 H new ATOM 672 N GLN A 46 2.952 -1.725 -4.010 1.00 0.00 N ATOM 673 CA GLN A 46 3.376 -3.108 -3.819 1.00 0.00 C ATOM 674 C GLN A 46 2.460 -3.847 -2.849 1.00 0.00 C ATOM 675 O GLN A 46 1.671 -4.696 -3.258 1.00 0.00 O ATOM 676 CB GLN A 46 4.821 -3.166 -3.330 1.00 0.00 C ATOM 677 CG GLN A 46 5.807 -3.501 -4.435 1.00 0.00 C ATOM 678 CD GLN A 46 7.241 -3.524 -3.947 1.00 0.00 C ATOM 679 OE1 GLN A 46 7.877 -4.577 -3.899 1.00 0.00 O ATOM 680 NE2 GLN A 46 7.758 -2.357 -3.583 1.00 0.00 N ATOM 0 HA GLN A 46 3.311 -3.606 -4.786 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.089 -2.205 -2.890 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.902 -3.912 -2.540 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.556 -4.473 -4.859 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.711 -2.769 -5.237 1.00 0.00 H new ATOM 0 HE21 GLN A 46 7.194 -1.509 -3.640 1.00 0.00 H new ATOM 0 HE22 GLN A 46 8.720 -2.308 -3.247 1.00 0.00 H new ATOM 689 N TYR A 47 2.573 -3.529 -1.566 1.00 0.00 N ATOM 690 CA TYR A 47 1.755 -4.174 -0.541 1.00 0.00 C ATOM 691 C TYR A 47 2.186 -5.622 -0.343 1.00 0.00 C ATOM 692 O TYR A 47 2.141 -6.429 -1.270 1.00 0.00 O ATOM 693 CB TYR A 47 0.273 -4.112 -0.913 1.00 0.00 C ATOM 694 CG TYR A 47 -0.181 -2.741 -1.350 1.00 0.00 C ATOM 695 CD1 TYR A 47 -0.614 -1.807 -0.420 1.00 0.00 C ATOM 696 CD2 TYR A 47 -0.179 -2.381 -2.689 1.00 0.00 C ATOM 697 CE1 TYR A 47 -1.031 -0.550 -0.812 1.00 0.00 C ATOM 698 CE2 TYR A 47 -0.594 -1.126 -3.092 1.00 0.00 C ATOM 699 CZ TYR A 47 -1.020 -0.214 -2.150 1.00 0.00 C ATOM 700 OH TYR A 47 -1.435 1.037 -2.545 1.00 0.00 O ATOM 0 H TYR A 47 3.222 -2.829 -1.208 1.00 0.00 H new ATOM 0 HA TYR A 47 1.900 -3.636 0.395 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.078 -4.824 -1.715 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.322 -4.427 -0.056 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.625 -2.067 0.628 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.153 -3.094 -3.430 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.364 0.166 -0.075 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.585 -0.861 -4.139 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.364 1.112 -3.520 1.00 0.00 H new ATOM 710 N GLY A 48 2.612 -5.936 0.874 1.00 0.00 N ATOM 711 CA GLY A 48 3.058 -7.285 1.180 1.00 0.00 C ATOM 712 C GLY A 48 1.909 -8.264 1.318 1.00 0.00 C ATOM 713 O GLY A 48 0.903 -7.963 1.955 1.00 0.00 O ATOM 0 H GLY A 48 2.657 -5.282 1.656 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.730 -7.628 0.393 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.632 -7.272 2.106 1.00 0.00 H new ATOM 717 N PHE A 49 2.053 -9.432 0.696 1.00 0.00 N ATOM 718 CA PHE A 49 1.013 -10.455 0.731 1.00 0.00 C ATOM 719 C PHE A 49 1.403 -11.656 1.590 1.00 0.00 C ATOM 720 O PHE A 49 2.521 -12.163 1.504 1.00 0.00 O ATOM 721 CB PHE A 49 0.716 -10.934 -0.687 1.00 0.00 C ATOM 722 CG PHE A 49 -0.233 -10.045 -1.425 1.00 0.00 C ATOM 723 CD1 PHE A 49 -0.144 -8.671 -1.307 1.00 0.00 C ATOM 724 CD2 PHE A 49 -1.221 -10.584 -2.224 1.00 0.00 C ATOM 725 CE1 PHE A 49 -1.023 -7.846 -1.970 1.00 0.00 C ATOM 726 CE2 PHE A 49 -2.111 -9.771 -2.892 1.00 0.00 C ATOM 727 CZ PHE A 49 -2.013 -8.396 -2.767 1.00 0.00 C ATOM 0 H PHE A 49 2.881 -9.693 0.161 1.00 0.00 H new ATOM 0 HA PHE A 49 0.129 -9.999 1.177 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.650 -10.999 -1.244 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.301 -11.941 -0.643 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.626 -8.239 -0.686 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.298 -11.656 -2.327 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.941 -6.774 -1.869 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.882 -10.205 -3.511 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.707 -7.754 -3.290 1.00 0.00 H new ATOM 737 N THR A 50 0.448 -12.122 2.391 1.00 0.00 N ATOM 738 CA THR A 50 0.652 -13.289 3.246 1.00 0.00 C ATOM 739 C THR A 50 -0.528 -14.246 3.092 1.00 0.00 C ATOM 740 O THR A 50 -1.567 -13.875 2.551 1.00 0.00 O ATOM 741 CB THR A 50 0.808 -12.876 4.711 1.00 0.00 C ATOM 742 OG1 THR A 50 1.357 -13.931 5.467 1.00 0.00 O ATOM 743 CG2 THR A 50 -0.501 -12.483 5.357 1.00 0.00 C ATOM 0 H THR A 50 -0.480 -11.706 2.466 1.00 0.00 H new ATOM 0 HA THR A 50 1.570 -13.790 2.939 1.00 0.00 H new ATOM 0 HB THR A 50 1.469 -12.009 4.704 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.452 -13.649 6.401 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.324 -12.201 6.395 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.933 -11.639 4.820 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.191 -13.326 5.323 1.00 0.00 H new ATOM 751 N PHE A 51 -0.373 -15.472 3.569 1.00 0.00 N ATOM 752 CA PHE A 51 -1.434 -16.459 3.469 1.00 0.00 C ATOM 753 C PHE A 51 -2.037 -16.709 4.842 1.00 0.00 C ATOM 754 O PHE A 51 -1.496 -17.454 5.658 1.00 0.00 O ATOM 755 CB PHE A 51 -0.876 -17.728 2.821 1.00 0.00 C ATOM 756 CG PHE A 51 0.060 -17.388 1.696 1.00 0.00 C ATOM 757 CD1 PHE A 51 -0.433 -16.923 0.488 1.00 0.00 C ATOM 758 CD2 PHE A 51 1.432 -17.477 1.866 1.00 0.00 C ATOM 759 CE1 PHE A 51 0.423 -16.552 -0.530 1.00 0.00 C ATOM 760 CE2 PHE A 51 2.294 -17.119 0.848 1.00 0.00 C ATOM 761 CZ PHE A 51 1.790 -16.650 -0.350 1.00 0.00 C ATOM 0 H PHE A 51 0.475 -15.805 4.028 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.242 -16.095 2.834 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.351 -18.323 3.569 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.696 -18.340 2.445 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.500 -16.850 0.340 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.832 -17.830 2.805 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.025 -16.186 -1.465 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.361 -17.206 0.988 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.463 -16.361 -1.144 1.00 0.00 H new ATOM 771 N ASP A 52 -3.151 -16.028 5.090 1.00 0.00 N ATOM 772 CA ASP A 52 -3.854 -16.101 6.367 1.00 0.00 C ATOM 773 C ASP A 52 -5.269 -16.652 6.203 1.00 0.00 C ATOM 774 O ASP A 52 -6.159 -15.971 5.695 1.00 0.00 O ATOM 775 CB ASP A 52 -3.888 -14.705 6.998 1.00 0.00 C ATOM 776 CG ASP A 52 -4.775 -14.621 8.220 1.00 0.00 C ATOM 777 OD1 ASP A 52 -6.011 -14.611 8.061 1.00 0.00 O ATOM 778 OD2 ASP A 52 -4.230 -14.568 9.342 1.00 0.00 O ATOM 0 H ASP A 52 -3.593 -15.409 4.410 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.319 -16.789 7.021 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.874 -14.414 7.273 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.236 -13.987 6.255 1.00 0.00 H new ATOM 783 N GLU A 53 -5.459 -17.898 6.619 1.00 0.00 N ATOM 784 CA GLU A 53 -6.749 -18.576 6.512 1.00 0.00 C ATOM 785 C GLU A 53 -7.741 -18.146 7.596 1.00 0.00 C ATOM 786 O GLU A 53 -8.944 -18.310 7.425 1.00 0.00 O ATOM 787 CB GLU A 53 -6.553 -20.088 6.588 1.00 0.00 C ATOM 788 CG GLU A 53 -7.159 -20.839 5.428 1.00 0.00 C ATOM 789 CD GLU A 53 -8.339 -21.705 5.836 1.00 0.00 C ATOM 790 OE1 GLU A 53 -8.120 -22.715 6.527 1.00 0.00 O ATOM 791 OE2 GLU A 53 -9.476 -21.355 5.466 1.00 0.00 O ATOM 0 H GLU A 53 -4.725 -18.468 7.040 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.170 -18.291 5.548 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.486 -20.305 6.632 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.991 -20.456 7.516 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.483 -20.126 4.670 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.395 -21.467 4.969 1.00 0.00 H new ATOM 881 N LEU A 60 -10.955 -5.981 5.545 1.00 0.00 N ATOM 882 CA LEU A 60 -11.787 -6.141 4.356 1.00 0.00 C ATOM 883 C LEU A 60 -11.333 -7.360 3.571 1.00 0.00 C ATOM 884 O LEU A 60 -10.135 -7.626 3.467 1.00 0.00 O ATOM 885 CB LEU A 60 -11.757 -4.882 3.481 1.00 0.00 C ATOM 886 CG LEU A 60 -12.004 -3.557 4.221 1.00 0.00 C ATOM 887 CD1 LEU A 60 -12.806 -2.608 3.345 1.00 0.00 C ATOM 888 CD2 LEU A 60 -12.714 -3.787 5.547 1.00 0.00 C ATOM 0 HA LEU A 60 -12.819 -6.290 4.673 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.787 -4.827 2.987 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.508 -4.987 2.698 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.036 -3.106 4.437 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.974 -1.673 3.880 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.254 -2.406 2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.765 -3.063 3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.874 -2.831 6.045 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.676 -4.267 5.366 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.102 -4.428 6.181 1.00 0.00 H new ATOM 900 N THR A 61 -12.278 -8.129 3.051 1.00 0.00 N ATOM 901 CA THR A 61 -11.941 -9.346 2.326 1.00 0.00 C ATOM 902 C THR A 61 -12.499 -9.373 0.907 1.00 0.00 C ATOM 903 O THR A 61 -13.704 -9.346 0.680 1.00 0.00 O ATOM 904 CB THR A 61 -12.443 -10.570 3.104 1.00 0.00 C ATOM 905 OG1 THR A 61 -13.792 -10.846 2.794 1.00 0.00 O ATOM 906 CG2 THR A 61 -12.330 -10.415 4.604 1.00 0.00 C ATOM 0 H THR A 61 -13.277 -7.935 3.116 1.00 0.00 H new ATOM 0 HA THR A 61 -10.855 -9.370 2.239 1.00 0.00 H new ATOM 0 HB THR A 61 -11.797 -11.392 2.795 1.00 0.00 H new ATOM 0 HG1 THR A 61 -14.115 -10.199 2.133 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.702 -11.316 5.092 1.00 0.00 H new ATOM 0 HG22 THR A 61 -11.286 -10.260 4.876 1.00 0.00 H new ATOM 0 HG23 THR A 61 -12.920 -9.557 4.927 1.00 0.00 H new ATOM 914 N ILE A 62 -11.578 -9.482 -0.044 1.00 0.00 N ATOM 915 CA ILE A 62 -11.903 -9.579 -1.460 1.00 0.00 C ATOM 916 C ILE A 62 -11.624 -11.010 -1.911 1.00 0.00 C ATOM 917 O ILE A 62 -10.546 -11.534 -1.656 1.00 0.00 O ATOM 918 CB ILE A 62 -11.063 -8.603 -2.327 1.00 0.00 C ATOM 919 CG1 ILE A 62 -9.825 -8.113 -1.565 1.00 0.00 C ATOM 920 CG2 ILE A 62 -11.912 -7.431 -2.789 1.00 0.00 C ATOM 921 CD1 ILE A 62 -10.135 -7.154 -0.435 1.00 0.00 C ATOM 0 H ILE A 62 -10.577 -9.506 0.149 1.00 0.00 H new ATOM 0 HA ILE A 62 -12.951 -9.311 -1.591 1.00 0.00 H new ATOM 0 HB ILE A 62 -10.719 -9.145 -3.208 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.295 -8.976 -1.160 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.149 -7.625 -2.267 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -11.305 -6.759 -3.395 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -12.748 -7.799 -3.383 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -12.293 -6.893 -1.921 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -9.207 -6.855 0.053 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -10.636 -6.272 -0.834 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.785 -7.644 0.290 1.00 0.00 H new ATOM 933 N GLU A 63 -12.588 -11.658 -2.549 1.00 0.00 N ATOM 934 CA GLU A 63 -12.393 -13.040 -2.981 1.00 0.00 C ATOM 935 C GLU A 63 -11.213 -13.162 -3.938 1.00 0.00 C ATOM 936 O GLU A 63 -10.869 -12.213 -4.643 1.00 0.00 O ATOM 937 CB GLU A 63 -13.656 -13.576 -3.640 1.00 0.00 C ATOM 938 CG GLU A 63 -13.697 -15.091 -3.743 1.00 0.00 C ATOM 939 CD GLU A 63 -15.033 -15.670 -3.319 1.00 0.00 C ATOM 940 OE1 GLU A 63 -15.671 -15.083 -2.429 1.00 0.00 O ATOM 941 OE2 GLU A 63 -15.435 -16.707 -3.880 1.00 0.00 O ATOM 0 H GLU A 63 -13.499 -11.260 -2.777 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.174 -13.635 -2.095 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.523 -13.236 -3.073 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.742 -13.151 -4.640 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.487 -15.387 -4.771 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.908 -15.515 -3.122 1.00 0.00 H new ATOM 948 N LYS A 64 -10.593 -14.339 -3.951 1.00 0.00 N ATOM 949 CA LYS A 64 -9.450 -14.593 -4.809 1.00 0.00 C ATOM 950 C LYS A 64 -9.822 -15.578 -5.913 1.00 0.00 C ATOM 951 O LYS A 64 -10.798 -16.310 -5.795 1.00 0.00 O ATOM 952 CB LYS A 64 -8.293 -15.145 -3.974 1.00 0.00 C ATOM 953 CG LYS A 64 -6.916 -14.783 -4.502 1.00 0.00 C ATOM 954 CD LYS A 64 -6.333 -13.573 -3.791 1.00 0.00 C ATOM 955 CE LYS A 64 -4.894 -13.351 -4.205 1.00 0.00 C ATOM 956 NZ LYS A 64 -4.308 -12.135 -3.578 1.00 0.00 N ATOM 0 H LYS A 64 -10.868 -15.133 -3.372 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.140 -13.657 -5.274 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.387 -14.775 -2.953 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.378 -16.231 -3.928 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.246 -15.634 -4.379 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.980 -14.579 -5.571 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.925 -12.688 -4.025 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.388 -13.718 -2.712 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.300 -14.222 -3.928 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.840 -13.260 -5.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.270 -12.205 -3.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.603 -11.293 -4.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.641 -12.056 -2.596 1.00 0.00 H new ATOM 970 N SER A 65 -9.037 -15.582 -6.984 1.00 0.00 N ATOM 971 CA SER A 65 -9.280 -16.472 -8.112 1.00 0.00 C ATOM 972 C SER A 65 -9.459 -17.912 -7.650 1.00 0.00 C ATOM 973 O SER A 65 -10.271 -18.651 -8.197 1.00 0.00 O ATOM 974 CB SER A 65 -8.115 -16.394 -9.092 1.00 0.00 C ATOM 975 OG SER A 65 -8.567 -16.411 -10.433 1.00 0.00 O ATOM 0 H SER A 65 -8.224 -14.976 -7.095 1.00 0.00 H new ATOM 0 HA SER A 65 -10.199 -16.152 -8.603 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.545 -15.483 -8.910 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.439 -17.232 -8.924 1.00 0.00 H new ATOM 0 HG SER A 65 -8.198 -17.194 -10.893 1.00 0.00 H new ATOM 981 N GLY A 66 -8.690 -18.296 -6.641 1.00 0.00 N ATOM 982 CA GLY A 66 -8.771 -19.648 -6.123 1.00 0.00 C ATOM 983 C GLY A 66 -8.814 -19.698 -4.609 1.00 0.00 C ATOM 984 O GLY A 66 -8.707 -20.761 -4.007 1.00 0.00 O ATOM 0 H GLY A 66 -8.012 -17.696 -6.172 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.662 -20.132 -6.523 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.912 -20.219 -6.476 1.00 0.00 H new ATOM 988 N VAL A 67 -8.967 -18.525 -3.987 1.00 0.00 N ATOM 989 CA VAL A 67 -9.028 -18.430 -2.535 1.00 0.00 C ATOM 990 C VAL A 67 -9.771 -17.154 -2.125 1.00 0.00 C ATOM 991 O VAL A 67 -10.632 -16.673 -2.860 1.00 0.00 O ATOM 992 CB VAL A 67 -7.609 -18.429 -1.917 1.00 0.00 C ATOM 993 CG1 VAL A 67 -6.813 -19.621 -2.405 1.00 0.00 C ATOM 994 CG2 VAL A 67 -6.873 -17.139 -2.239 1.00 0.00 C ATOM 0 H VAL A 67 -9.050 -17.631 -4.471 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.565 -19.301 -2.161 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.717 -18.500 -0.835 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.819 -19.602 -1.959 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.322 -20.541 -2.117 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.725 -19.580 -3.491 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.879 -17.166 -1.792 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.782 -17.032 -3.320 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.429 -16.293 -1.836 1.00 0.00 H new ATOM 1004 N GLN A 68 -9.425 -16.599 -0.965 1.00 0.00 N ATOM 1005 CA GLN A 68 -10.053 -15.374 -0.491 1.00 0.00 C ATOM 1006 C GLN A 68 -8.987 -14.375 -0.047 1.00 0.00 C ATOM 1007 O GLN A 68 -8.108 -14.707 0.746 1.00 0.00 O ATOM 1008 CB GLN A 68 -11.013 -15.673 0.662 1.00 0.00 C ATOM 1009 CG GLN A 68 -12.473 -15.418 0.320 1.00 0.00 C ATOM 1010 CD GLN A 68 -12.935 -14.036 0.734 1.00 0.00 C ATOM 1011 OE1 GLN A 68 -12.088 -13.042 0.516 1.00 0.00 O flip ATOM 1012 NE2 GLN A 68 -14.043 -13.865 1.244 1.00 0.00 N flip ATOM 0 H GLN A 68 -8.715 -16.979 -0.340 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.625 -14.938 -1.310 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.895 -16.714 0.961 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -10.737 -15.061 1.521 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.617 -15.539 -0.754 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -13.094 -16.167 0.812 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.664 -14.660 1.394 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.340 -12.928 1.517 1.00 0.00 H new ATOM 1021 N LEU A 69 -9.063 -13.154 -0.561 1.00 0.00 N ATOM 1022 CA LEU A 69 -8.098 -12.121 -0.205 1.00 0.00 C ATOM 1023 C LEU A 69 -8.652 -11.228 0.901 1.00 0.00 C ATOM 1024 O LEU A 69 -9.793 -10.786 0.836 1.00 0.00 O ATOM 1025 CB LEU A 69 -7.731 -11.279 -1.433 1.00 0.00 C ATOM 1026 CG LEU A 69 -6.905 -10.017 -1.156 1.00 0.00 C ATOM 1027 CD1 LEU A 69 -5.904 -10.245 -0.034 1.00 0.00 C ATOM 1028 CD2 LEU A 69 -6.186 -9.584 -2.417 1.00 0.00 C ATOM 0 H LEU A 69 -9.779 -12.855 -1.223 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.196 -12.610 0.162 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.175 -11.908 -2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.652 -10.984 -1.936 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.587 -9.228 -0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.335 -9.331 0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.435 -10.518 0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.223 -11.050 -0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.601 -8.687 -2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.522 -10.382 -2.750 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.917 -9.371 -3.197 1.00 0.00 H new ATOM 1040 N VAL A 70 -7.842 -10.974 1.920 1.00 0.00 N ATOM 1041 CA VAL A 70 -8.262 -10.137 3.037 1.00 0.00 C ATOM 1042 C VAL A 70 -7.141 -9.176 3.434 1.00 0.00 C ATOM 1043 O VAL A 70 -6.079 -9.597 3.880 1.00 0.00 O ATOM 1044 CB VAL A 70 -8.714 -11.002 4.248 1.00 0.00 C ATOM 1045 CG1 VAL A 70 -9.119 -12.392 3.781 1.00 0.00 C ATOM 1046 CG2 VAL A 70 -7.634 -11.110 5.317 1.00 0.00 C ATOM 0 H VAL A 70 -6.891 -11.335 1.997 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.121 -9.547 2.717 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.572 -10.501 4.697 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.433 -12.987 4.639 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.944 -12.312 3.073 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.270 -12.875 3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.998 -11.724 6.141 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.743 -11.569 4.889 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.387 -10.115 5.687 1.00 0.00 H new ATOM 1056 N ILE A 71 -7.372 -7.879 3.256 1.00 0.00 N ATOM 1057 CA ILE A 71 -6.354 -6.888 3.587 1.00 0.00 C ATOM 1058 C ILE A 71 -6.768 -6.025 4.772 1.00 0.00 C ATOM 1059 O ILE A 71 -7.952 -5.892 5.083 1.00 0.00 O ATOM 1060 CB ILE A 71 -5.998 -5.995 2.375 1.00 0.00 C ATOM 1061 CG1 ILE A 71 -7.001 -4.853 2.208 1.00 0.00 C ATOM 1062 CG2 ILE A 71 -5.933 -6.830 1.105 1.00 0.00 C ATOM 1063 CD1 ILE A 71 -8.419 -5.322 1.972 1.00 0.00 C ATOM 0 H ILE A 71 -8.242 -7.493 2.890 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.462 -7.448 3.867 1.00 0.00 H new ATOM 0 HB ILE A 71 -5.019 -5.555 2.561 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.978 -4.227 3.100 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.690 -4.227 1.371 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.682 -6.189 0.260 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.170 -7.601 1.215 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.901 -7.300 0.928 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -9.075 -4.458 1.863 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.457 -5.923 1.064 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.749 -5.923 2.819 1.00 0.00 H new ATOM 1075 N ASP A 72 -5.771 -5.450 5.429 1.00 0.00 N ATOM 1076 CA ASP A 72 -6.000 -4.604 6.599 1.00 0.00 C ATOM 1077 C ASP A 72 -6.440 -3.192 6.199 1.00 0.00 C ATOM 1078 O ASP A 72 -5.992 -2.655 5.185 1.00 0.00 O ATOM 1079 CB ASP A 72 -4.728 -4.539 7.447 1.00 0.00 C ATOM 1080 CG ASP A 72 -4.857 -3.620 8.644 1.00 0.00 C ATOM 1081 OD1 ASP A 72 -4.869 -2.387 8.449 1.00 0.00 O ATOM 1082 OD2 ASP A 72 -4.947 -4.133 9.779 1.00 0.00 O ATOM 0 H ASP A 72 -4.789 -5.553 5.172 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.807 -5.048 7.183 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.477 -5.542 7.792 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.900 -4.200 6.824 1.00 0.00 H new ATOM 1087 N PRO A 73 -7.333 -2.576 6.999 1.00 0.00 N ATOM 1088 CA PRO A 73 -7.847 -1.227 6.740 1.00 0.00 C ATOM 1089 C PRO A 73 -6.751 -0.231 6.372 1.00 0.00 C ATOM 1090 O PRO A 73 -6.966 0.669 5.564 1.00 0.00 O ATOM 1091 CB PRO A 73 -8.495 -0.845 8.066 1.00 0.00 C ATOM 1092 CG PRO A 73 -8.942 -2.142 8.634 1.00 0.00 C ATOM 1093 CD PRO A 73 -7.920 -3.158 8.221 1.00 0.00 C ATOM 0 HA PRO A 73 -8.527 -1.210 5.889 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.788 -0.343 8.726 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.333 -0.164 7.919 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.017 -2.085 9.720 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -9.930 -2.410 8.260 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.168 -3.309 8.995 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -8.375 -4.129 8.025 1.00 0.00 H new ATOM 1101 N MET A 74 -5.573 -0.392 6.962 1.00 0.00 N ATOM 1102 CA MET A 74 -4.464 0.498 6.675 1.00 0.00 C ATOM 1103 C MET A 74 -4.174 0.490 5.176 1.00 0.00 C ATOM 1104 O MET A 74 -3.958 1.529 4.558 1.00 0.00 O ATOM 1105 CB MET A 74 -3.232 0.085 7.496 1.00 0.00 C ATOM 1106 CG MET A 74 -1.898 0.314 6.803 1.00 0.00 C ATOM 1107 SD MET A 74 -0.571 0.700 7.961 1.00 0.00 S ATOM 1108 CE MET A 74 -1.140 2.266 8.619 1.00 0.00 C ATOM 0 H MET A 74 -5.365 -1.127 7.638 1.00 0.00 H new ATOM 0 HA MET A 74 -4.725 1.517 6.962 1.00 0.00 H new ATOM 0 HB2 MET A 74 -3.237 0.638 8.436 1.00 0.00 H new ATOM 0 HB3 MET A 74 -3.318 -0.972 7.748 1.00 0.00 H new ATOM 0 HG2 MET A 74 -1.631 -0.577 6.234 1.00 0.00 H new ATOM 0 HG3 MET A 74 -2.000 1.130 6.088 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.282 2.869 8.916 1.00 0.00 H new ATOM 0 HE2 MET A 74 -1.710 2.796 7.856 1.00 0.00 H new ATOM 0 HE3 MET A 74 -1.775 2.087 9.487 1.00 0.00 H new ATOM 1118 N SER A 75 -4.203 -0.687 4.588 1.00 0.00 N ATOM 1119 CA SER A 75 -3.977 -0.808 3.162 1.00 0.00 C ATOM 1120 C SER A 75 -5.213 -0.340 2.403 1.00 0.00 C ATOM 1121 O SER A 75 -5.112 0.235 1.320 1.00 0.00 O ATOM 1122 CB SER A 75 -3.645 -2.255 2.791 1.00 0.00 C ATOM 1123 OG SER A 75 -3.079 -2.947 3.890 1.00 0.00 O ATOM 0 H SER A 75 -4.379 -1.568 5.070 1.00 0.00 H new ATOM 0 HA SER A 75 -3.129 -0.181 2.886 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.550 -2.766 2.463 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.949 -2.268 1.952 1.00 0.00 H new ATOM 0 HG SER A 75 -2.878 -3.869 3.627 1.00 0.00 H new ATOM 1129 N LEU A 76 -6.383 -0.588 2.990 1.00 0.00 N ATOM 1130 CA LEU A 76 -7.655 -0.209 2.382 1.00 0.00 C ATOM 1131 C LEU A 76 -7.611 1.206 1.819 1.00 0.00 C ATOM 1132 O LEU A 76 -8.103 1.457 0.722 1.00 0.00 O ATOM 1133 CB LEU A 76 -8.785 -0.353 3.407 1.00 0.00 C ATOM 1134 CG LEU A 76 -9.870 0.728 3.384 1.00 0.00 C ATOM 1135 CD1 LEU A 76 -11.084 0.240 4.120 1.00 0.00 C ATOM 1136 CD2 LEU A 76 -9.360 2.008 4.019 1.00 0.00 C ATOM 0 H LEU A 76 -6.475 -1.053 3.893 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.845 -0.881 1.545 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -9.264 -1.320 3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.342 -0.371 4.403 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.135 0.938 2.348 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.854 1.011 4.102 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.462 -0.662 3.640 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.818 0.017 5.153 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -10.144 2.764 3.994 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.077 1.813 5.053 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.492 2.367 3.467 1.00 0.00 H new ATOM 1148 N GLN A 77 -7.038 2.127 2.582 1.00 0.00 N ATOM 1149 CA GLN A 77 -6.953 3.517 2.163 1.00 0.00 C ATOM 1150 C GLN A 77 -5.783 3.744 1.203 1.00 0.00 C ATOM 1151 O GLN A 77 -5.753 4.743 0.485 1.00 0.00 O ATOM 1152 CB GLN A 77 -6.894 4.452 3.386 1.00 0.00 C ATOM 1153 CG GLN A 77 -5.577 5.192 3.596 1.00 0.00 C ATOM 1154 CD GLN A 77 -4.889 4.766 4.870 1.00 0.00 C ATOM 1155 OE1 GLN A 77 -4.875 3.464 5.113 1.00 0.00 O flip ATOM 1156 NE2 GLN A 77 -4.377 5.593 5.626 1.00 0.00 N flip ATOM 0 H GLN A 77 -6.625 1.935 3.495 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.860 3.761 1.609 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.692 5.189 3.294 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -7.104 3.864 4.279 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.918 5.007 2.748 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -5.764 6.265 3.626 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.413 6.586 5.396 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.917 5.285 6.482 1.00 0.00 H new ATOM 1165 N TYR A 78 -4.816 2.825 1.199 1.00 0.00 N ATOM 1166 CA TYR A 78 -3.658 2.949 0.321 1.00 0.00 C ATOM 1167 C TYR A 78 -3.938 2.378 -1.071 1.00 0.00 C ATOM 1168 O TYR A 78 -3.473 2.912 -2.076 1.00 0.00 O ATOM 1169 CB TYR A 78 -2.452 2.220 0.915 1.00 0.00 C ATOM 1170 CG TYR A 78 -1.799 2.929 2.079 1.00 0.00 C ATOM 1171 CD1 TYR A 78 -2.544 3.335 3.176 1.00 0.00 C ATOM 1172 CD2 TYR A 78 -0.433 3.173 2.087 1.00 0.00 C ATOM 1173 CE1 TYR A 78 -1.945 3.964 4.251 1.00 0.00 C ATOM 1174 CE2 TYR A 78 0.175 3.803 3.155 1.00 0.00 C ATOM 1175 CZ TYR A 78 -0.586 4.197 4.235 1.00 0.00 C ATOM 1176 OH TYR A 78 0.014 4.823 5.303 1.00 0.00 O ATOM 0 H TYR A 78 -4.814 1.994 1.790 1.00 0.00 H new ATOM 0 HA TYR A 78 -3.444 4.014 0.229 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.768 1.229 1.241 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.709 2.076 0.131 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.609 3.157 3.190 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.166 2.865 1.243 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.538 4.272 5.099 1.00 0.00 H new ATOM 0 HE2 TYR A 78 1.239 3.986 3.144 1.00 0.00 H new ATOM 0 HH TYR A 78 0.975 4.910 5.134 1.00 0.00 H new ATOM 1186 N LEU A 79 -4.663 1.266 -1.115 1.00 0.00 N ATOM 1187 CA LEU A 79 -4.974 0.584 -2.379 1.00 0.00 C ATOM 1188 C LEU A 79 -6.289 1.058 -3.028 1.00 0.00 C ATOM 1189 O LEU A 79 -6.552 0.771 -4.192 1.00 0.00 O ATOM 1190 CB LEU A 79 -4.938 -0.946 -2.194 1.00 0.00 C ATOM 1191 CG LEU A 79 -5.993 -1.606 -1.280 1.00 0.00 C ATOM 1192 CD1 LEU A 79 -5.353 -2.045 0.022 1.00 0.00 C ATOM 1193 CD2 LEU A 79 -7.177 -0.699 -0.994 1.00 0.00 C ATOM 0 H LEU A 79 -5.051 0.811 -0.289 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.192 0.863 -3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.024 -1.401 -3.181 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.954 -1.209 -1.807 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.377 -2.473 -1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.106 -2.509 0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.561 -2.764 -0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.932 -1.178 0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.885 -1.217 -0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.829 0.208 -0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.668 -0.435 -1.931 1.00 0.00 H new ATOM 1205 N ILE A 80 -7.116 1.731 -2.241 1.00 0.00 N ATOM 1206 CA ILE A 80 -8.446 2.218 -2.657 1.00 0.00 C ATOM 1207 C ILE A 80 -8.717 2.276 -4.171 1.00 0.00 C ATOM 1208 O ILE A 80 -8.738 3.343 -4.783 1.00 0.00 O ATOM 1209 CB ILE A 80 -8.698 3.630 -2.119 1.00 0.00 C ATOM 1210 CG1 ILE A 80 -7.614 4.573 -2.635 1.00 0.00 C ATOM 1211 CG2 ILE A 80 -8.748 3.631 -0.606 1.00 0.00 C ATOM 1212 CD1 ILE A 80 -6.236 4.253 -2.114 1.00 0.00 C ATOM 0 H ILE A 80 -6.887 1.964 -1.275 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.115 1.466 -2.238 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.667 3.979 -2.476 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.599 4.534 -3.724 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.870 5.595 -2.356 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -8.928 4.645 -0.249 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.553 2.979 -0.268 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.799 3.270 -0.210 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.518 4.964 -2.523 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.234 4.320 -1.026 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.958 3.243 -2.416 1.00 0.00 H new ATOM 1224 N GLY A 81 -9.037 1.126 -4.729 1.00 0.00 N ATOM 1225 CA GLY A 81 -9.437 1.034 -6.127 1.00 0.00 C ATOM 1226 C GLY A 81 -8.324 0.864 -7.143 1.00 0.00 C ATOM 1227 O GLY A 81 -8.577 0.942 -8.345 1.00 0.00 O ATOM 0 H GLY A 81 -9.029 0.234 -4.235 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.123 0.194 -6.230 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.996 1.935 -6.381 1.00 0.00 H new ATOM 1231 N GLY A 82 -7.110 0.619 -6.695 1.00 0.00 N ATOM 1232 CA GLY A 82 -6.022 0.432 -7.639 1.00 0.00 C ATOM 1233 C GLY A 82 -6.143 -0.877 -8.396 1.00 0.00 C ATOM 1234 O GLY A 82 -7.244 -1.400 -8.572 1.00 0.00 O ATOM 0 H GLY A 82 -6.853 0.546 -5.711 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.011 1.260 -8.347 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.072 0.456 -7.106 1.00 0.00 H new ATOM 1238 N THR A 83 -5.008 -1.411 -8.830 1.00 0.00 N ATOM 1239 CA THR A 83 -4.976 -2.679 -9.555 1.00 0.00 C ATOM 1240 C THR A 83 -3.662 -3.398 -9.280 1.00 0.00 C ATOM 1241 O THR A 83 -2.593 -2.808 -9.402 1.00 0.00 O ATOM 1242 CB THR A 83 -5.145 -2.463 -11.058 1.00 0.00 C ATOM 1243 OG1 THR A 83 -6.473 -2.078 -11.365 1.00 0.00 O ATOM 1244 CG2 THR A 83 -4.825 -3.703 -11.864 1.00 0.00 C ATOM 0 H THR A 83 -4.092 -0.984 -8.692 1.00 0.00 H new ATOM 0 HA THR A 83 -5.808 -3.291 -9.205 1.00 0.00 H new ATOM 0 HB THR A 83 -4.441 -1.675 -11.326 1.00 0.00 H new ATOM 0 HG1 THR A 83 -6.966 -1.912 -10.534 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.962 -3.493 -12.925 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.791 -3.998 -11.683 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.491 -4.513 -11.566 1.00 0.00 H new ATOM 1252 N VAL A 84 -3.739 -4.671 -8.911 1.00 0.00 N ATOM 1253 CA VAL A 84 -2.533 -5.440 -8.617 1.00 0.00 C ATOM 1254 C VAL A 84 -2.388 -6.650 -9.528 1.00 0.00 C ATOM 1255 O VAL A 84 -3.372 -7.202 -10.017 1.00 0.00 O ATOM 1256 CB VAL A 84 -2.472 -5.907 -7.133 1.00 0.00 C ATOM 1257 CG1 VAL A 84 -3.722 -5.512 -6.363 1.00 0.00 C ATOM 1258 CG2 VAL A 84 -2.230 -7.409 -7.023 1.00 0.00 C ATOM 0 H VAL A 84 -4.612 -5.189 -8.809 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.703 -4.758 -8.801 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.623 -5.394 -6.681 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.639 -5.857 -5.332 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.829 -4.427 -6.375 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.596 -5.968 -6.829 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.194 -7.696 -5.972 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.040 -7.945 -7.518 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.283 -7.661 -7.501 1.00 0.00 H new ATOM 1268 N ASP A 85 -1.144 -7.067 -9.716 1.00 0.00 N ATOM 1269 CA ASP A 85 -0.840 -8.231 -10.528 1.00 0.00 C ATOM 1270 C ASP A 85 0.439 -8.895 -10.035 1.00 0.00 C ATOM 1271 O ASP A 85 1.373 -8.217 -9.606 1.00 0.00 O ATOM 1272 CB ASP A 85 -0.714 -7.855 -12.005 1.00 0.00 C ATOM 1273 CG ASP A 85 -0.006 -6.529 -12.211 1.00 0.00 C ATOM 1274 OD1 ASP A 85 -0.693 -5.486 -12.229 1.00 0.00 O ATOM 1275 OD2 ASP A 85 1.234 -6.535 -12.357 1.00 0.00 O ATOM 0 H ASP A 85 -0.325 -6.611 -9.313 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.664 -8.938 -10.432 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.169 -8.639 -12.531 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.708 -7.805 -12.449 1.00 0.00 H new ATOM 1280 N TYR A 86 0.473 -10.218 -10.083 1.00 0.00 N ATOM 1281 CA TYR A 86 1.632 -10.965 -9.626 1.00 0.00 C ATOM 1282 C TYR A 86 2.257 -11.766 -10.758 1.00 0.00 C ATOM 1283 O TYR A 86 1.556 -12.303 -11.616 1.00 0.00 O ATOM 1284 CB TYR A 86 1.220 -11.901 -8.494 1.00 0.00 C ATOM 1285 CG TYR A 86 2.035 -11.745 -7.234 1.00 0.00 C ATOM 1286 CD1 TYR A 86 3.418 -11.840 -7.263 1.00 0.00 C ATOM 1287 CD2 TYR A 86 1.417 -11.512 -6.015 1.00 0.00 C ATOM 1288 CE1 TYR A 86 4.166 -11.706 -6.111 1.00 0.00 C ATOM 1289 CE2 TYR A 86 2.156 -11.375 -4.854 1.00 0.00 C ATOM 1290 CZ TYR A 86 3.531 -11.475 -4.908 1.00 0.00 C ATOM 1291 OH TYR A 86 4.272 -11.341 -3.756 1.00 0.00 O ATOM 0 H TYR A 86 -0.290 -10.796 -10.435 1.00 0.00 H new ATOM 0 HA TYR A 86 2.377 -10.255 -9.267 1.00 0.00 H new ATOM 0 HB2 TYR A 86 0.170 -11.727 -8.258 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.302 -12.931 -8.841 1.00 0.00 H new ATOM 0 HD1 TYR A 86 3.918 -12.022 -8.203 1.00 0.00 H new ATOM 0 HD2 TYR A 86 0.341 -11.436 -5.971 1.00 0.00 H new ATOM 0 HE1 TYR A 86 5.243 -11.782 -6.151 1.00 0.00 H new ATOM 0 HE2 TYR A 86 1.660 -11.191 -3.912 1.00 0.00 H new ATOM 0 HH TYR A 86 3.672 -11.181 -2.998 1.00 0.00 H new ATOM 1301 N THR A 87 3.578 -11.856 -10.742 1.00 0.00 N ATOM 1302 CA THR A 87 4.303 -12.605 -11.754 1.00 0.00 C ATOM 1303 C THR A 87 5.570 -13.211 -11.162 1.00 0.00 C ATOM 1304 O THR A 87 6.637 -12.596 -11.186 1.00 0.00 O ATOM 1305 CB THR A 87 4.653 -11.709 -12.943 1.00 0.00 C ATOM 1306 OG1 THR A 87 3.479 -11.189 -13.540 1.00 0.00 O ATOM 1307 CG2 THR A 87 5.439 -12.423 -14.022 1.00 0.00 C ATOM 0 H THR A 87 4.170 -11.418 -10.037 1.00 0.00 H new ATOM 0 HA THR A 87 3.660 -13.411 -12.106 1.00 0.00 H new ATOM 0 HB THR A 87 5.274 -10.913 -12.532 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.723 -10.617 -14.298 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.654 -11.730 -14.835 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.375 -12.794 -13.605 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.855 -13.260 -14.404 1.00 0.00 H new ATOM 1413 N PHE A 95 6.058 -8.405 -7.518 1.00 0.00 N ATOM 1414 CA PHE A 95 4.729 -7.868 -7.251 1.00 0.00 C ATOM 1415 C PHE A 95 4.642 -6.410 -7.676 1.00 0.00 C ATOM 1416 O PHE A 95 5.460 -5.585 -7.266 1.00 0.00 O ATOM 1417 CB PHE A 95 4.387 -7.995 -5.766 1.00 0.00 C ATOM 1418 CG PHE A 95 2.911 -7.946 -5.485 1.00 0.00 C ATOM 1419 CD1 PHE A 95 2.014 -8.621 -6.299 1.00 0.00 C ATOM 1420 CD2 PHE A 95 2.420 -7.226 -4.406 1.00 0.00 C ATOM 1421 CE1 PHE A 95 0.659 -8.578 -6.043 1.00 0.00 C ATOM 1422 CE2 PHE A 95 1.064 -7.180 -4.147 1.00 0.00 C ATOM 1423 CZ PHE A 95 0.183 -7.856 -4.967 1.00 0.00 C ATOM 0 HA PHE A 95 4.010 -8.446 -7.831 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.790 -8.934 -5.387 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.880 -7.192 -5.218 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.380 -9.187 -7.143 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.105 -6.696 -3.761 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -0.029 -9.109 -6.684 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.693 -6.616 -3.304 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.878 -7.820 -4.767 1.00 0.00 H new ATOM 1433 N THR A 96 3.648 -6.092 -8.496 1.00 0.00 N ATOM 1434 CA THR A 96 3.469 -4.723 -8.964 1.00 0.00 C ATOM 1435 C THR A 96 2.003 -4.315 -8.962 1.00 0.00 C ATOM 1436 O THR A 96 1.201 -4.823 -9.747 1.00 0.00 O ATOM 1437 CB THR A 96 4.041 -4.550 -10.369 1.00 0.00 C ATOM 1438 OG1 THR A 96 5.164 -5.391 -10.564 1.00 0.00 O ATOM 1439 CG2 THR A 96 4.469 -3.129 -10.667 1.00 0.00 C ATOM 0 H THR A 96 2.959 -6.757 -8.848 1.00 0.00 H new ATOM 0 HA THR A 96 4.009 -4.077 -8.271 1.00 0.00 H new ATOM 0 HB THR A 96 3.230 -4.818 -11.046 1.00 0.00 H new ATOM 0 HG1 THR A 96 5.513 -5.265 -11.471 1.00 0.00 H new ATOM 0 HG21 THR A 96 4.866 -3.074 -11.681 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.610 -2.464 -10.577 1.00 0.00 H new ATOM 0 HG23 THR A 96 5.239 -2.825 -9.958 1.00 0.00 H new ATOM 1447 N VAL A 97 1.670 -3.376 -8.089 1.00 0.00 N ATOM 1448 CA VAL A 97 0.311 -2.865 -7.990 1.00 0.00 C ATOM 1449 C VAL A 97 0.227 -1.509 -8.669 1.00 0.00 C ATOM 1450 O VAL A 97 1.250 -0.904 -8.990 1.00 0.00 O ATOM 1451 CB VAL A 97 -0.151 -2.733 -6.520 1.00 0.00 C ATOM 1452 CG1 VAL A 97 -1.668 -2.684 -6.422 1.00 0.00 C ATOM 1453 CG2 VAL A 97 0.393 -3.879 -5.681 1.00 0.00 C ATOM 0 H VAL A 97 2.327 -2.950 -7.435 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.348 -3.578 -8.485 1.00 0.00 H new ATOM 0 HB VAL A 97 0.245 -1.795 -6.131 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.962 -2.591 -5.377 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.041 -1.826 -6.982 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.089 -3.599 -6.837 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.056 -3.767 -4.650 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.031 -4.826 -6.080 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.483 -3.866 -5.710 1.00 0.00 H new ATOM 1463 N ASN A 98 -0.985 -1.036 -8.892 1.00 0.00 N ATOM 1464 CA ASN A 98 -1.183 0.247 -9.538 1.00 0.00 C ATOM 1465 C ASN A 98 -1.991 1.165 -8.642 1.00 0.00 C ATOM 1466 O ASN A 98 -2.638 0.714 -7.697 1.00 0.00 O ATOM 1467 CB ASN A 98 -1.871 0.062 -10.891 1.00 0.00 C ATOM 1468 CG ASN A 98 -0.875 -0.240 -11.994 1.00 0.00 C ATOM 1469 OD1 ASN A 98 -0.071 0.614 -12.368 1.00 0.00 O ATOM 1470 ND2 ASN A 98 -0.920 -1.459 -12.525 1.00 0.00 N ATOM 0 H ASN A 98 -1.845 -1.520 -8.636 1.00 0.00 H new ATOM 0 HA ASN A 98 -0.210 0.707 -9.712 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.595 -0.750 -10.823 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -2.428 0.965 -11.142 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -0.273 -1.715 -13.271 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -1.602 -2.138 -12.186 1.00 0.00 H new