USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 578 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 42 ASN :FLIP amide:sc= -16.7! C(o=-50!,f=-32!) USER MOD Set 1.2: A 47 ASN :FLIP amide:sc= -15.2! C(o=-42!,f=-32!) USER MOD Single : A 5 ASN :FLIP amide:sc= -4.59! C(o=-10!,f=-4.6!) USER MOD Single : A 6 THR OG1 : rot -42:sc= 0.784 USER MOD Single : A 11 MET CE :methyl 154:sc= -0.909! (180deg=-3.18!) USER MOD Single : A 13 ASN : amide:sc= -25.1! C(o=-25!,f=-30!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0.0437 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -171:sc= -0.177! (180deg=-1.05!) USER MOD Single : A 28 THR OG1 : rot 73:sc= 0.988 USER MOD Single : A 29 ASN :FLIP amide:sc= -0.0441 F(o=-0.61,f=-0.044) USER MOD Single : A 39 MET CE :methyl 170:sc= -0.036 (180deg=-0.103) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -158:sc= -2.07! (180deg=-4.24!) USER MOD Single : A 58 ASN :FLIP amide:sc= -1.69! C(o=-3.7!,f=-1.7!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.19 X(o=-0.19,f=-0.063) USER MOD ----------------------------------------------------------------- ATOM 63 N ASP A 4 -6.481 0.900 -4.395 1.00 0.00 N ATOM 64 CA ASP A 4 -6.604 -0.498 -4.754 1.00 0.00 C ATOM 65 C ASP A 4 -6.660 -0.639 -6.268 1.00 0.00 C ATOM 66 O ASP A 4 -7.413 0.071 -6.931 1.00 0.00 O ATOM 67 CB ASP A 4 -7.858 -1.080 -4.109 1.00 0.00 C ATOM 68 CG ASP A 4 -7.501 -1.953 -2.915 1.00 0.00 C ATOM 69 OD1 ASP A 4 -6.331 -1.873 -2.483 1.00 0.00 O ATOM 70 OD2 ASP A 4 -8.405 -2.685 -2.456 1.00 0.00 O ATOM 0 HA ASP A 4 -5.736 -1.048 -4.390 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -8.516 -0.272 -3.789 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.409 -1.668 -4.843 1.00 0.00 H new ATOM 75 N ASN A 5 -5.861 -1.557 -6.815 1.00 0.00 N ATOM 76 CA ASN A 5 -5.827 -1.784 -8.246 1.00 0.00 C ATOM 77 C ASN A 5 -5.678 -0.458 -8.978 1.00 0.00 C ATOM 78 O ASN A 5 -6.131 -0.314 -10.111 1.00 0.00 O ATOM 79 CB ASN A 5 -7.104 -2.498 -8.677 1.00 0.00 C ATOM 80 CG ASN A 5 -7.590 -3.446 -7.590 1.00 0.00 C ATOM 81 OD1 ASN A 5 -8.214 -2.893 -6.548 1.00 0.00 O flip ATOM 82 ND2 ASN A 5 -7.402 -4.657 -7.691 1.00 0.00 N flip ATOM 0 H ASN A 5 -5.230 -2.153 -6.280 1.00 0.00 H new ATOM 0 HA ASN A 5 -4.972 -2.412 -8.497 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -7.879 -1.764 -8.898 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.921 -3.055 -9.596 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -6.919 -5.032 -8.508 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -7.729 -5.287 -6.958 1.00 0.00 H new ATOM 89 N THR A 6 -5.037 0.515 -8.325 1.00 0.00 N ATOM 90 CA THR A 6 -4.832 1.822 -8.917 1.00 0.00 C ATOM 91 C THR A 6 -3.950 1.699 -10.152 1.00 0.00 C ATOM 92 O THR A 6 -3.337 2.673 -10.581 1.00 0.00 O ATOM 93 CB THR A 6 -4.194 2.750 -7.888 1.00 0.00 C ATOM 94 OG1 THR A 6 -4.131 4.058 -8.411 1.00 0.00 O ATOM 95 CG2 THR A 6 -2.783 2.263 -7.568 1.00 0.00 C ATOM 0 H THR A 6 -4.654 0.413 -7.385 1.00 0.00 H new ATOM 0 HA THR A 6 -5.791 2.241 -9.222 1.00 0.00 H new ATOM 0 HB THR A 6 -4.794 2.750 -6.978 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.848 4.022 -9.348 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.327 2.926 -6.833 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.830 1.252 -7.165 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.183 2.263 -8.478 1.00 0.00 H new ATOM 103 N CYS A 7 -3.890 0.494 -10.723 1.00 0.00 N ATOM 104 CA CYS A 7 -3.087 0.246 -11.904 1.00 0.00 C ATOM 105 C CYS A 7 -3.553 1.144 -13.041 1.00 0.00 C ATOM 106 O CYS A 7 -4.743 1.201 -13.341 1.00 0.00 O ATOM 107 CB CYS A 7 -3.199 -1.225 -12.295 1.00 0.00 C ATOM 108 SG CYS A 7 -1.960 -2.290 -11.517 1.00 0.00 S ATOM 0 H CYS A 7 -4.393 -0.323 -10.378 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.042 0.473 -11.693 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.192 -1.586 -12.029 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.108 -1.310 -13.378 1.00 0.00 H new ATOM 113 N ARG A 8 -2.610 1.847 -13.673 1.00 0.00 N ATOM 114 CA ARG A 8 -2.928 2.738 -14.771 1.00 0.00 C ATOM 115 C ARG A 8 -2.120 2.349 -16.001 1.00 0.00 C ATOM 116 O ARG A 8 -1.972 3.143 -16.927 1.00 0.00 O ATOM 117 CB ARG A 8 -2.627 4.177 -14.360 1.00 0.00 C ATOM 118 CG ARG A 8 -3.747 5.090 -14.850 1.00 0.00 C ATOM 119 CD ARG A 8 -3.801 5.056 -16.374 1.00 0.00 C ATOM 120 NE ARG A 8 -4.596 6.168 -16.896 1.00 0.00 N ATOM 121 CZ ARG A 8 -4.596 6.516 -18.190 1.00 0.00 C ATOM 122 NH1 ARG A 8 -3.847 5.833 -19.067 1.00 0.00 N ATOM 123 NH2 ARG A 8 -5.345 7.545 -18.608 1.00 0.00 N ATOM 0 H ARG A 8 -1.619 1.810 -13.436 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.987 2.657 -15.016 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.535 4.245 -13.276 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.673 4.495 -14.781 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -4.702 4.767 -14.434 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -3.577 6.110 -14.504 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.790 5.106 -16.778 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.230 4.110 -16.705 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.175 6.701 -16.247 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -3.277 5.049 -18.749 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -3.847 6.097 -20.052 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.916 8.064 -17.941 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.344 7.809 -19.593 1.00 0.00 H new ATOM 137 N GLY A 9 -1.597 1.121 -16.009 1.00 0.00 N ATOM 138 CA GLY A 9 -0.809 0.637 -17.125 1.00 0.00 C ATOM 139 C GLY A 9 -1.148 -0.817 -17.419 1.00 0.00 C ATOM 140 O GLY A 9 -0.831 -1.328 -18.491 1.00 0.00 O ATOM 0 H GLY A 9 -1.710 0.449 -15.250 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.001 1.248 -18.007 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.253 0.731 -16.897 1.00 0.00 H new ATOM 144 N VAL A 10 -1.795 -1.484 -16.460 1.00 0.00 N ATOM 145 CA VAL A 10 -2.174 -2.874 -16.618 1.00 0.00 C ATOM 146 C VAL A 10 -2.691 -3.110 -18.029 1.00 0.00 C ATOM 147 O VAL A 10 -2.273 -4.054 -18.697 1.00 0.00 O ATOM 148 CB VAL A 10 -3.240 -3.229 -15.585 1.00 0.00 C ATOM 149 CG1 VAL A 10 -4.400 -2.244 -15.691 1.00 0.00 C ATOM 150 CG2 VAL A 10 -3.748 -4.644 -15.846 1.00 0.00 C ATOM 0 H VAL A 10 -2.064 -1.074 -15.566 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.305 -3.513 -16.459 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.810 -3.176 -14.585 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.161 -2.498 -14.953 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.037 -1.233 -15.505 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.832 -2.296 -16.690 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.509 -4.899 -15.109 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.179 -4.697 -16.846 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.919 -5.348 -15.770 1.00 0.00 H new ATOM 160 N MET A 11 -3.603 -2.248 -18.485 1.00 0.00 N ATOM 161 CA MET A 11 -4.171 -2.369 -19.813 1.00 0.00 C ATOM 162 C MET A 11 -3.079 -2.722 -20.813 1.00 0.00 C ATOM 163 O MET A 11 -3.357 -3.282 -21.871 1.00 0.00 O ATOM 164 CB MET A 11 -4.850 -1.058 -20.196 1.00 0.00 C ATOM 165 CG MET A 11 -5.893 -0.698 -19.142 1.00 0.00 C ATOM 166 SD MET A 11 -5.252 0.326 -17.793 1.00 0.00 S ATOM 167 CE MET A 11 -4.317 1.533 -18.765 1.00 0.00 C ATOM 0 H MET A 11 -3.959 -1.459 -17.946 1.00 0.00 H new ATOM 0 HA MET A 11 -4.915 -3.166 -19.822 1.00 0.00 H new ATOM 0 HB2 MET A 11 -4.109 -0.262 -20.276 1.00 0.00 H new ATOM 0 HB3 MET A 11 -5.323 -1.153 -21.173 1.00 0.00 H new ATOM 0 HG2 MET A 11 -6.716 -0.171 -19.625 1.00 0.00 H new ATOM 0 HG3 MET A 11 -6.304 -1.617 -18.724 1.00 0.00 H new ATOM 0 HE1 MET A 11 -4.240 2.467 -18.209 1.00 0.00 H new ATOM 0 HE2 MET A 11 -3.318 1.145 -18.963 1.00 0.00 H new ATOM 0 HE3 MET A 11 -4.829 1.714 -19.710 1.00 0.00 H new ATOM 177 N GLY A 12 -1.830 -2.393 -20.474 1.00 0.00 N ATOM 178 CA GLY A 12 -0.706 -2.677 -21.343 1.00 0.00 C ATOM 179 C GLY A 12 -0.126 -4.048 -21.024 1.00 0.00 C ATOM 180 O GLY A 12 -0.037 -4.908 -21.897 1.00 0.00 O ATOM 0 H GLY A 12 -1.581 -1.929 -19.600 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.025 -2.643 -22.385 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.061 -1.912 -21.219 1.00 0.00 H new ATOM 184 N ASN A 13 0.271 -4.249 -19.765 1.00 0.00 N ATOM 185 CA ASN A 13 0.839 -5.511 -19.336 1.00 0.00 C ATOM 186 C ASN A 13 0.028 -6.666 -19.907 1.00 0.00 C ATOM 187 O ASN A 13 0.562 -7.510 -20.623 1.00 0.00 O ATOM 188 CB ASN A 13 0.859 -5.567 -17.812 1.00 0.00 C ATOM 189 CG ASN A 13 -0.365 -6.298 -17.279 1.00 0.00 C ATOM 190 OD1 ASN A 13 -0.355 -7.521 -17.155 1.00 0.00 O ATOM 191 ND2 ASN A 13 -1.421 -5.545 -16.961 1.00 0.00 N ATOM 0 H ASN A 13 0.205 -3.546 -19.029 1.00 0.00 H new ATOM 0 HA ASN A 13 1.861 -5.596 -19.704 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.764 -6.072 -17.475 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.888 -4.555 -17.407 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.268 -5.982 -16.597 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.381 -4.533 -17.082 1.00 0.00 H new ATOM 198 N ARG A 14 -1.268 -6.700 -19.588 1.00 0.00 N ATOM 199 CA ARG A 14 -2.146 -7.748 -20.067 1.00 0.00 C ATOM 200 C ARG A 14 -1.450 -9.096 -19.954 1.00 0.00 C ATOM 201 O ARG A 14 -1.845 -10.059 -20.609 1.00 0.00 O ATOM 202 CB ARG A 14 -2.536 -7.461 -21.514 1.00 0.00 C ATOM 203 CG ARG A 14 -3.004 -6.013 -21.638 1.00 0.00 C ATOM 204 CD ARG A 14 -4.346 -5.850 -20.930 1.00 0.00 C ATOM 205 NE ARG A 14 -5.335 -6.792 -21.456 1.00 0.00 N ATOM 206 CZ ARG A 14 -6.473 -6.397 -22.042 1.00 0.00 C ATOM 207 NH1 ARG A 14 -6.745 -5.091 -22.167 1.00 0.00 N ATOM 208 NH2 ARG A 14 -7.341 -7.308 -22.503 1.00 0.00 N ATOM 0 H ARG A 14 -1.726 -6.006 -18.997 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.050 -7.776 -19.459 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.686 -7.637 -22.173 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -3.329 -8.139 -21.829 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.265 -5.342 -21.199 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -3.099 -5.739 -22.689 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -4.218 -6.011 -19.860 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -4.707 -4.829 -21.058 1.00 0.00 H new ATOM 0 HE ARG A 14 -5.150 -7.792 -21.373 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -6.085 -4.397 -21.816 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.612 -4.791 -22.613 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -7.135 -8.302 -22.408 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -8.207 -7.007 -22.949 1.00 0.00 H new ATOM 222 N ASP A 15 -0.410 -9.165 -19.120 1.00 0.00 N ATOM 223 CA ASP A 15 0.335 -10.393 -18.926 1.00 0.00 C ATOM 224 C ASP A 15 0.656 -10.572 -17.449 1.00 0.00 C ATOM 225 O ASP A 15 0.389 -11.627 -16.878 1.00 0.00 O ATOM 226 CB ASP A 15 1.614 -10.347 -19.756 1.00 0.00 C ATOM 227 CG ASP A 15 2.000 -11.738 -20.237 1.00 0.00 C ATOM 228 OD1 ASP A 15 1.456 -12.148 -21.285 1.00 0.00 O ATOM 229 OD2 ASP A 15 2.833 -12.366 -19.548 1.00 0.00 O ATOM 0 H ASP A 15 -0.070 -8.376 -18.570 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.264 -11.243 -19.253 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.473 -9.688 -20.613 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.424 -9.926 -19.160 1.00 0.00 H new ATOM 234 N ILE A 16 1.231 -9.538 -16.831 1.00 0.00 N ATOM 235 CA ILE A 16 1.584 -9.584 -15.426 1.00 0.00 C ATOM 236 C ILE A 16 0.331 -9.788 -14.587 1.00 0.00 C ATOM 237 O ILE A 16 0.365 -10.487 -13.576 1.00 0.00 O ATOM 238 CB ILE A 16 2.292 -8.289 -15.037 1.00 0.00 C ATOM 239 CG1 ILE A 16 3.177 -7.826 -16.191 1.00 0.00 C ATOM 240 CG2 ILE A 16 3.154 -8.532 -13.802 1.00 0.00 C ATOM 241 CD1 ILE A 16 3.775 -6.462 -15.858 1.00 0.00 C ATOM 0 H ILE A 16 1.460 -8.657 -17.292 1.00 0.00 H new ATOM 0 HA ILE A 16 2.260 -10.420 -15.243 1.00 0.00 H new ATOM 0 HB ILE A 16 1.550 -7.521 -14.817 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.972 -8.550 -16.367 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.593 -7.765 -17.109 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.660 -7.607 -13.524 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.523 -8.863 -12.977 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.896 -9.300 -14.022 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.407 -6.131 -16.682 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.972 -5.741 -15.704 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.373 -6.539 -14.950 1.00 0.00 H new ATOM 253 N TYR A 17 -0.778 -9.175 -15.007 1.00 0.00 N ATOM 254 CA TYR A 17 -2.032 -9.292 -14.291 1.00 0.00 C ATOM 255 C TYR A 17 -2.422 -10.758 -14.169 1.00 0.00 C ATOM 256 O TYR A 17 -2.521 -11.288 -13.065 1.00 0.00 O ATOM 257 CB TYR A 17 -3.112 -8.504 -15.027 1.00 0.00 C ATOM 258 CG TYR A 17 -4.329 -8.214 -14.182 1.00 0.00 C ATOM 259 CD1 TYR A 17 -4.364 -7.070 -13.376 1.00 0.00 C ATOM 260 CD2 TYR A 17 -5.422 -9.089 -14.204 1.00 0.00 C ATOM 261 CE1 TYR A 17 -5.493 -6.800 -12.592 1.00 0.00 C ATOM 262 CE2 TYR A 17 -6.550 -8.819 -13.420 1.00 0.00 C ATOM 263 CZ TYR A 17 -6.586 -7.675 -12.614 1.00 0.00 C ATOM 264 OH TYR A 17 -7.685 -7.412 -11.851 1.00 0.00 O ATOM 0 H TYR A 17 -0.824 -8.593 -15.843 1.00 0.00 H new ATOM 0 HA TYR A 17 -1.922 -8.882 -13.287 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.689 -7.562 -15.376 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -3.419 -9.062 -15.911 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.521 -6.396 -13.359 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.395 -9.972 -14.826 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -5.520 -5.917 -11.971 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.393 -9.494 -13.437 1.00 0.00 H new ATOM 0 HH TYR A 17 -8.352 -8.118 -11.984 1.00 0.00 H new ATOM 274 N LYS A 18 -2.644 -11.414 -15.311 1.00 0.00 N ATOM 275 CA LYS A 18 -3.021 -12.813 -15.326 1.00 0.00 C ATOM 276 C LYS A 18 -2.116 -13.604 -14.392 1.00 0.00 C ATOM 277 O LYS A 18 -2.592 -14.266 -13.473 1.00 0.00 O ATOM 278 CB LYS A 18 -2.928 -13.349 -16.751 1.00 0.00 C ATOM 279 CG LYS A 18 -4.034 -12.730 -17.601 1.00 0.00 C ATOM 280 CD LYS A 18 -3.427 -11.720 -18.571 1.00 0.00 C ATOM 281 CE LYS A 18 -4.532 -11.111 -19.429 1.00 0.00 C ATOM 282 NZ LYS A 18 -4.916 -12.021 -20.519 1.00 0.00 N ATOM 0 H LYS A 18 -2.567 -10.989 -16.235 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.048 -12.919 -14.978 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.953 -13.113 -17.177 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.021 -14.435 -16.749 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.562 -13.508 -18.153 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.768 -12.240 -16.961 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.907 -10.937 -18.019 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.687 -12.208 -19.205 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.401 -10.894 -18.808 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.193 -10.162 -19.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.669 -11.583 -21.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.090 -12.207 -21.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.261 -12.917 -20.118 1.00 0.00 H new ATOM 296 N LYS A 19 -0.804 -13.534 -14.632 1.00 0.00 N ATOM 297 CA LYS A 19 0.160 -14.241 -13.814 1.00 0.00 C ATOM 298 C LYS A 19 -0.020 -13.858 -12.352 1.00 0.00 C ATOM 299 O LYS A 19 -0.297 -14.712 -11.512 1.00 0.00 O ATOM 300 CB LYS A 19 1.571 -13.908 -14.289 1.00 0.00 C ATOM 301 CG LYS A 19 2.589 -14.566 -13.362 1.00 0.00 C ATOM 302 CD LYS A 19 3.886 -13.763 -13.378 1.00 0.00 C ATOM 303 CE LYS A 19 3.594 -12.316 -12.994 1.00 0.00 C ATOM 304 NZ LYS A 19 4.646 -11.780 -12.116 1.00 0.00 N ATOM 0 H LYS A 19 -0.393 -12.990 -15.391 1.00 0.00 H new ATOM 0 HA LYS A 19 0.002 -15.315 -13.909 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.714 -14.259 -15.311 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.717 -12.828 -14.299 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.193 -14.617 -12.348 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.779 -15.590 -13.682 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.604 -14.197 -12.682 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.339 -13.803 -14.369 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.520 -11.705 -13.894 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.630 -12.258 -12.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.351 -10.853 -11.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.803 -12.434 -11.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.528 -11.673 -12.657 1.00 0.00 H new ATOM 318 N VAL A 20 0.138 -12.567 -12.049 1.00 0.00 N ATOM 319 CA VAL A 20 -0.008 -12.075 -10.694 1.00 0.00 C ATOM 320 C VAL A 20 -1.179 -12.772 -10.016 1.00 0.00 C ATOM 321 O VAL A 20 -0.981 -13.622 -9.151 1.00 0.00 O ATOM 322 CB VAL A 20 -0.220 -10.565 -10.722 1.00 0.00 C ATOM 323 CG1 VAL A 20 -0.707 -10.094 -9.354 1.00 0.00 C ATOM 324 CG2 VAL A 20 1.098 -9.872 -11.057 1.00 0.00 C ATOM 0 H VAL A 20 0.368 -11.847 -12.734 1.00 0.00 H new ATOM 0 HA VAL A 20 0.896 -12.291 -10.125 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.964 -10.317 -11.479 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.859 -9.015 -9.374 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.648 -10.588 -9.113 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.037 -10.342 -8.598 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.947 -8.793 -11.077 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.842 -10.120 -10.300 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.448 -10.208 -12.033 1.00 0.00 H new ATOM 334 N VAL A 21 -2.401 -12.411 -10.413 1.00 0.00 N ATOM 335 CA VAL A 21 -3.596 -13.001 -9.844 1.00 0.00 C ATOM 336 C VAL A 21 -3.416 -14.508 -9.720 1.00 0.00 C ATOM 337 O VAL A 21 -3.999 -15.134 -8.838 1.00 0.00 O ATOM 338 CB VAL A 21 -4.796 -12.670 -10.726 1.00 0.00 C ATOM 339 CG1 VAL A 21 -4.671 -13.410 -12.054 1.00 0.00 C ATOM 340 CG2 VAL A 21 -6.079 -13.102 -10.021 1.00 0.00 C ATOM 0 H VAL A 21 -2.581 -11.709 -11.130 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.771 -12.592 -8.849 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.826 -11.596 -10.911 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.528 -13.174 -12.684 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.755 -13.102 -12.557 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.641 -14.484 -11.871 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.937 -12.866 -10.650 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.049 -14.176 -9.836 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.169 -12.573 -9.072 1.00 0.00 H new ATOM 350 N ARG A 22 -2.606 -15.089 -10.608 1.00 0.00 N ATOM 351 CA ARG A 22 -2.355 -16.516 -10.595 1.00 0.00 C ATOM 352 C ARG A 22 -1.376 -16.857 -9.481 1.00 0.00 C ATOM 353 O ARG A 22 -1.474 -17.918 -8.868 1.00 0.00 O ATOM 354 CB ARG A 22 -1.803 -16.946 -11.950 1.00 0.00 C ATOM 355 CG ARG A 22 -2.200 -18.394 -12.225 1.00 0.00 C ATOM 356 CD ARG A 22 -3.663 -18.447 -12.656 1.00 0.00 C ATOM 357 NE ARG A 22 -4.130 -19.830 -12.761 1.00 0.00 N ATOM 358 CZ ARG A 22 -5.412 -20.178 -12.590 1.00 0.00 C ATOM 359 NH1 ARG A 22 -6.329 -19.241 -12.311 1.00 0.00 N ATOM 360 NH2 ARG A 22 -5.778 -21.462 -12.697 1.00 0.00 N ATOM 0 H ARG A 22 -2.115 -14.583 -11.345 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.286 -17.052 -10.410 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -2.190 -16.296 -12.735 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.718 -16.847 -11.960 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.565 -18.815 -13.004 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.051 -18.999 -11.331 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.277 -17.906 -11.937 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.781 -17.946 -13.617 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.450 -20.560 -12.973 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.050 -18.263 -12.229 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.305 -19.506 -12.181 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.080 -22.175 -12.909 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.754 -21.727 -12.567 1.00 0.00 H new ATOM 374 N VAL A 23 -0.429 -15.953 -9.219 1.00 0.00 N ATOM 375 CA VAL A 23 0.562 -16.161 -8.183 1.00 0.00 C ATOM 376 C VAL A 23 -0.095 -16.052 -6.814 1.00 0.00 C ATOM 377 O VAL A 23 0.280 -16.765 -5.885 1.00 0.00 O ATOM 378 CB VAL A 23 1.677 -15.130 -8.331 1.00 0.00 C ATOM 379 CG1 VAL A 23 2.404 -14.971 -6.999 1.00 0.00 C ATOM 380 CG2 VAL A 23 2.664 -15.598 -9.397 1.00 0.00 C ATOM 0 H VAL A 23 -0.335 -15.068 -9.718 1.00 0.00 H new ATOM 0 HA VAL A 23 0.993 -17.158 -8.280 1.00 0.00 H new ATOM 0 HB VAL A 23 1.249 -14.172 -8.627 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.201 -14.234 -7.105 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.699 -14.637 -6.238 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.832 -15.928 -6.702 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.461 -14.862 -9.503 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.092 -16.556 -9.101 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.145 -15.711 -10.349 1.00 0.00 H new ATOM 390 N CYS A 24 -1.078 -15.157 -6.691 1.00 0.00 N ATOM 391 CA CYS A 24 -1.781 -14.960 -5.440 1.00 0.00 C ATOM 392 C CYS A 24 -2.638 -16.180 -5.133 1.00 0.00 C ATOM 393 O CYS A 24 -2.742 -16.595 -3.981 1.00 0.00 O ATOM 394 CB CYS A 24 -2.642 -13.704 -5.534 1.00 0.00 C ATOM 395 SG CYS A 24 -1.725 -12.217 -6.008 1.00 0.00 S ATOM 0 H CYS A 24 -1.400 -14.559 -7.452 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.063 -14.832 -4.630 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.437 -13.875 -6.259 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.121 -13.531 -4.570 1.00 0.00 H new ATOM 400 N GLU A 25 -3.254 -16.755 -6.169 1.00 0.00 N ATOM 401 CA GLU A 25 -4.096 -17.922 -6.003 1.00 0.00 C ATOM 402 C GLU A 25 -3.298 -19.052 -5.366 1.00 0.00 C ATOM 403 O GLU A 25 -3.682 -19.576 -4.323 1.00 0.00 O ATOM 404 CB GLU A 25 -4.646 -18.348 -7.361 1.00 0.00 C ATOM 405 CG GLU A 25 -6.096 -17.891 -7.489 1.00 0.00 C ATOM 406 CD GLU A 25 -7.016 -18.757 -6.641 1.00 0.00 C ATOM 407 OE1 GLU A 25 -7.203 -18.397 -5.459 1.00 0.00 O ATOM 408 OE2 GLU A 25 -7.514 -19.763 -7.191 1.00 0.00 O ATOM 0 H GLU A 25 -3.179 -16.423 -7.131 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.931 -17.680 -5.346 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.045 -17.915 -8.161 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.584 -19.431 -7.467 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.182 -16.850 -7.178 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.406 -17.939 -8.533 1.00 0.00 H new ATOM 415 N ASP A 26 -2.183 -19.425 -5.998 1.00 0.00 N ATOM 416 CA ASP A 26 -1.338 -20.488 -5.493 1.00 0.00 C ATOM 417 C ASP A 26 -1.016 -20.236 -4.026 1.00 0.00 C ATOM 418 O ASP A 26 -1.065 -21.156 -3.212 1.00 0.00 O ATOM 419 CB ASP A 26 -0.059 -20.557 -6.323 1.00 0.00 C ATOM 420 CG ASP A 26 0.021 -21.871 -7.088 1.00 0.00 C ATOM 421 OD1 ASP A 26 -0.168 -22.920 -6.435 1.00 0.00 O ATOM 422 OD2 ASP A 26 0.271 -21.801 -8.311 1.00 0.00 O ATOM 0 H ASP A 26 -1.851 -18.999 -6.863 1.00 0.00 H new ATOM 0 HA ASP A 26 -1.859 -21.442 -5.572 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -0.029 -19.722 -7.023 1.00 0.00 H new ATOM 0 HB3 ASP A 26 0.809 -20.458 -5.671 1.00 0.00 H new ATOM 427 N CYS A 27 -0.686 -18.987 -3.691 1.00 0.00 N ATOM 428 CA CYS A 27 -0.358 -18.622 -2.328 1.00 0.00 C ATOM 429 C CYS A 27 -1.581 -18.800 -1.439 1.00 0.00 C ATOM 430 O CYS A 27 -1.495 -19.406 -0.373 1.00 0.00 O ATOM 431 CB CYS A 27 0.131 -17.177 -2.292 1.00 0.00 C ATOM 432 SG CYS A 27 -0.193 -16.329 -0.726 1.00 0.00 S ATOM 0 H CYS A 27 -0.641 -18.214 -4.355 1.00 0.00 H new ATOM 0 HA CYS A 27 0.436 -19.269 -1.955 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.203 -17.162 -2.486 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.347 -16.622 -3.099 1.00 0.00 H new ATOM 437 N THR A 28 -2.724 -18.269 -1.880 1.00 0.00 N ATOM 438 CA THR A 28 -3.954 -18.373 -1.123 1.00 0.00 C ATOM 439 C THR A 28 -4.141 -19.801 -0.630 1.00 0.00 C ATOM 440 O THR A 28 -4.743 -20.028 0.417 1.00 0.00 O ATOM 441 CB THR A 28 -5.128 -17.947 -1.999 1.00 0.00 C ATOM 442 OG1 THR A 28 -4.982 -16.590 -2.352 1.00 0.00 O ATOM 443 CG2 THR A 28 -6.433 -18.134 -1.230 1.00 0.00 C ATOM 0 H THR A 28 -2.814 -17.763 -2.761 1.00 0.00 H new ATOM 0 HA THR A 28 -3.906 -17.715 -0.256 1.00 0.00 H new ATOM 0 HB THR A 28 -5.148 -18.558 -2.901 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.262 -16.499 -3.011 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.271 -17.829 -1.856 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.547 -19.183 -0.956 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.414 -17.523 -0.327 1.00 0.00 H new ATOM 451 N ASN A 29 -3.620 -20.767 -1.391 1.00 0.00 N ATOM 452 CA ASN A 29 -3.729 -22.166 -1.029 1.00 0.00 C ATOM 453 C ASN A 29 -2.744 -22.493 0.084 1.00 0.00 C ATOM 454 O ASN A 29 -3.104 -23.139 1.066 1.00 0.00 O ATOM 455 CB ASN A 29 -3.461 -23.030 -2.259 1.00 0.00 C ATOM 456 CG ASN A 29 -4.602 -22.917 -3.261 1.00 0.00 C ATOM 457 OD1 ASN A 29 -4.281 -22.501 -4.488 1.00 0.00 O flip ATOM 458 ND2 ASN A 29 -5.751 -23.199 -2.930 1.00 0.00 N flip ATOM 0 H ASN A 29 -3.119 -20.596 -2.263 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.736 -22.373 -0.666 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.527 -22.721 -2.729 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.338 -24.070 -1.958 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -5.945 -23.513 -1.979 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -6.511 -23.119 -3.606 1.00 0.00 H new ATOM 465 N ILE A 30 -1.497 -22.043 -0.072 1.00 0.00 N ATOM 466 CA ILE A 30 -0.466 -22.285 0.917 1.00 0.00 C ATOM 467 C ILE A 30 -1.023 -22.040 2.312 1.00 0.00 C ATOM 468 O ILE A 30 -0.956 -22.916 3.172 1.00 0.00 O ATOM 469 CB ILE A 30 0.726 -21.373 0.642 1.00 0.00 C ATOM 470 CG1 ILE A 30 1.700 -22.076 -0.299 1.00 0.00 C ATOM 471 CG2 ILE A 30 1.432 -21.049 1.955 1.00 0.00 C ATOM 472 CD1 ILE A 30 0.965 -22.502 -1.567 1.00 0.00 C ATOM 0 H ILE A 30 -1.184 -21.507 -0.881 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.134 -23.322 0.857 1.00 0.00 H new ATOM 0 HB ILE A 30 0.377 -20.450 0.179 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.525 -21.409 -0.551 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.133 -22.947 0.193 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.284 -20.398 1.759 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.737 -20.546 2.627 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.780 -21.972 2.418 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.661 -23.004 -2.239 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.156 -23.184 -1.307 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.553 -21.622 -2.062 1.00 0.00 H new ATOM 484 N PHE A 31 -1.573 -20.845 2.537 1.00 0.00 N ATOM 485 CA PHE A 31 -2.137 -20.495 3.825 1.00 0.00 C ATOM 486 C PHE A 31 -3.611 -20.872 3.863 1.00 0.00 C ATOM 487 O PHE A 31 -4.185 -21.037 4.938 1.00 0.00 O ATOM 488 CB PHE A 31 -1.955 -18.999 4.068 1.00 0.00 C ATOM 489 CG PHE A 31 -0.764 -18.671 4.936 1.00 0.00 C ATOM 490 CD1 PHE A 31 -0.807 -18.931 6.311 1.00 0.00 C ATOM 491 CD2 PHE A 31 0.382 -18.104 4.367 1.00 0.00 C ATOM 492 CE1 PHE A 31 0.296 -18.625 7.117 1.00 0.00 C ATOM 493 CE2 PHE A 31 1.486 -17.797 5.172 1.00 0.00 C ATOM 494 CZ PHE A 31 1.443 -18.058 6.547 1.00 0.00 C ATOM 0 H PHE A 31 -1.636 -20.107 1.836 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.622 -21.044 4.613 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.846 -18.494 3.108 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.856 -18.603 4.536 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.692 -19.368 6.750 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.415 -17.903 3.306 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.263 -18.826 8.178 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.370 -17.359 4.733 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.294 -17.822 7.168 1.00 0.00 H new ATOM 504 N ARG A 32 -4.224 -21.009 2.685 1.00 0.00 N ATOM 505 CA ARG A 32 -5.626 -21.365 2.589 1.00 0.00 C ATOM 506 C ARG A 32 -6.482 -20.248 3.167 1.00 0.00 C ATOM 507 O ARG A 32 -7.587 -20.493 3.645 1.00 0.00 O ATOM 508 CB ARG A 32 -5.870 -22.674 3.334 1.00 0.00 C ATOM 509 CG ARG A 32 -5.939 -23.824 2.334 1.00 0.00 C ATOM 510 CD ARG A 32 -7.256 -24.574 2.510 1.00 0.00 C ATOM 511 NE ARG A 32 -8.378 -23.794 1.986 1.00 0.00 N ATOM 512 CZ ARG A 32 -9.605 -24.308 1.824 1.00 0.00 C ATOM 513 NH1 ARG A 32 -9.845 -25.586 2.148 1.00 0.00 N ATOM 514 NH2 ARG A 32 -10.593 -23.543 1.338 1.00 0.00 N ATOM 0 H ARG A 32 -3.762 -20.876 1.785 1.00 0.00 H new ATOM 0 HA ARG A 32 -5.900 -21.501 1.543 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.069 -22.850 4.052 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.799 -22.614 3.900 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.860 -23.440 1.317 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.099 -24.502 2.485 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.204 -25.533 1.995 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.419 -24.787 3.566 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.219 -22.819 1.734 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.094 -26.168 2.518 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.779 -25.977 2.025 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.411 -22.570 1.092 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.527 -23.934 1.215 1.00 0.00 H new ATOM 528 N LEU A 33 -5.968 -19.016 3.123 1.00 0.00 N ATOM 529 CA LEU A 33 -6.686 -17.868 3.641 1.00 0.00 C ATOM 530 C LEU A 33 -7.399 -17.149 2.504 1.00 0.00 C ATOM 531 O LEU A 33 -6.779 -16.798 1.503 1.00 0.00 O ATOM 532 CB LEU A 33 -5.708 -16.932 4.344 1.00 0.00 C ATOM 533 CG LEU A 33 -5.035 -17.671 5.496 1.00 0.00 C ATOM 534 CD1 LEU A 33 -3.771 -16.924 5.912 1.00 0.00 C ATOM 535 CD2 LEU A 33 -5.994 -17.748 6.680 1.00 0.00 C ATOM 0 H LEU A 33 -5.053 -18.796 2.730 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.435 -18.197 4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.957 -16.576 3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.234 -16.054 4.719 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.771 -18.679 5.176 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.290 -17.452 6.735 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.086 -16.870 5.066 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.033 -15.916 6.232 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.514 -18.276 7.504 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.258 -16.740 7.000 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.896 -18.283 6.383 1.00 0.00 H new ATOM 547 N PRO A 34 -8.707 -16.930 2.662 1.00 0.00 N ATOM 548 CA PRO A 34 -9.545 -16.261 1.691 1.00 0.00 C ATOM 549 C PRO A 34 -9.225 -14.773 1.680 1.00 0.00 C ATOM 550 O PRO A 34 -9.363 -14.114 0.652 1.00 0.00 O ATOM 551 CB PRO A 34 -10.974 -16.511 2.169 1.00 0.00 C ATOM 552 CG PRO A 34 -10.809 -16.617 3.685 1.00 0.00 C ATOM 553 CD PRO A 34 -9.467 -17.330 3.827 1.00 0.00 C ATOM 0 HA PRO A 34 -9.393 -16.626 0.675 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -11.642 -15.696 1.891 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -11.390 -17.424 1.742 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -10.799 -15.636 4.161 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -11.620 -17.185 4.142 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -8.961 -17.039 4.748 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -9.596 -18.412 3.862 1.00 0.00 H new ATOM 561 N GLY A 35 -8.799 -14.244 2.829 1.00 0.00 N ATOM 562 CA GLY A 35 -8.465 -12.838 2.941 1.00 0.00 C ATOM 563 C GLY A 35 -6.987 -12.621 2.648 1.00 0.00 C ATOM 564 O GLY A 35 -6.244 -12.142 3.501 1.00 0.00 O ATOM 0 H GLY A 35 -8.680 -14.776 3.691 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.070 -12.257 2.245 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.700 -12.480 3.943 1.00 0.00 H new ATOM 568 N LEU A 36 -6.562 -12.977 1.433 1.00 0.00 N ATOM 569 CA LEU A 36 -5.179 -12.822 1.031 1.00 0.00 C ATOM 570 C LEU A 36 -5.106 -12.490 -0.453 1.00 0.00 C ATOM 571 O LEU A 36 -4.496 -11.497 -0.841 1.00 0.00 O ATOM 572 CB LEU A 36 -4.413 -14.106 1.335 1.00 0.00 C ATOM 573 CG LEU A 36 -2.927 -13.791 1.477 1.00 0.00 C ATOM 574 CD1 LEU A 36 -2.699 -12.971 2.743 1.00 0.00 C ATOM 575 CD2 LEU A 36 -2.137 -15.093 1.564 1.00 0.00 C ATOM 0 H LEU A 36 -7.166 -13.375 0.714 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.725 -12.003 1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.789 -14.558 2.253 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.567 -14.832 0.536 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.592 -13.221 0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.637 -12.746 2.844 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.263 -12.040 2.680 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.034 -13.540 3.610 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.075 -14.868 1.665 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.471 -15.664 2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.299 -15.678 0.659 1.00 0.00 H new ATOM 587 N ASP A 37 -5.733 -13.327 -1.284 1.00 0.00 N ATOM 588 CA ASP A 37 -5.736 -13.121 -2.718 1.00 0.00 C ATOM 589 C ASP A 37 -5.924 -11.642 -3.025 1.00 0.00 C ATOM 590 O ASP A 37 -5.045 -11.009 -3.606 1.00 0.00 O ATOM 591 CB ASP A 37 -6.851 -13.950 -3.348 1.00 0.00 C ATOM 592 CG ASP A 37 -6.966 -13.664 -4.838 1.00 0.00 C ATOM 593 OD1 ASP A 37 -7.658 -12.680 -5.176 1.00 0.00 O ATOM 594 OD2 ASP A 37 -6.359 -14.436 -5.612 1.00 0.00 O ATOM 0 H ASP A 37 -6.245 -14.155 -0.978 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.782 -13.441 -3.138 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.654 -15.011 -3.192 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.798 -13.726 -2.857 1.00 0.00 H new ATOM 599 N GLY A 38 -7.074 -11.090 -2.632 1.00 0.00 N ATOM 600 CA GLY A 38 -7.367 -9.690 -2.869 1.00 0.00 C ATOM 601 C GLY A 38 -6.136 -8.840 -2.590 1.00 0.00 C ATOM 602 O GLY A 38 -5.509 -8.325 -3.513 1.00 0.00 O ATOM 0 H GLY A 38 -7.814 -11.599 -2.148 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.689 -9.548 -3.901 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.191 -9.370 -2.231 1.00 0.00 H new ATOM 606 N MET A 39 -5.790 -8.693 -1.309 1.00 0.00 N ATOM 607 CA MET A 39 -4.640 -7.905 -0.914 1.00 0.00 C ATOM 608 C MET A 39 -3.476 -8.180 -1.856 1.00 0.00 C ATOM 609 O MET A 39 -2.871 -7.252 -2.388 1.00 0.00 O ATOM 610 CB MET A 39 -4.261 -8.245 0.524 1.00 0.00 C ATOM 611 CG MET A 39 -5.337 -7.721 1.471 1.00 0.00 C ATOM 612 SD MET A 39 -5.627 -8.778 2.911 1.00 0.00 S ATOM 613 CE MET A 39 -3.958 -8.779 3.611 1.00 0.00 C ATOM 0 H MET A 39 -6.298 -9.115 -0.531 1.00 0.00 H new ATOM 0 HA MET A 39 -4.886 -6.845 -0.971 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.155 -9.324 0.638 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.296 -7.802 0.772 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.052 -6.727 1.814 1.00 0.00 H new ATOM 0 HG3 MET A 39 -6.271 -7.612 0.919 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.979 -9.234 4.601 1.00 0.00 H new ATOM 0 HE2 MET A 39 -3.292 -9.350 2.964 1.00 0.00 H new ATOM 0 HE3 MET A 39 -3.596 -7.754 3.690 1.00 0.00 H new ATOM 623 N CYS A 40 -3.165 -9.462 -2.062 1.00 0.00 N ATOM 624 CA CYS A 40 -2.079 -9.855 -2.937 1.00 0.00 C ATOM 625 C CYS A 40 -2.132 -9.040 -4.221 1.00 0.00 C ATOM 626 O CYS A 40 -1.100 -8.782 -4.838 1.00 0.00 O ATOM 627 CB CYS A 40 -2.184 -11.347 -3.239 1.00 0.00 C ATOM 628 SG CYS A 40 -0.702 -12.049 -4.005 1.00 0.00 S ATOM 0 H CYS A 40 -3.658 -10.243 -1.628 1.00 0.00 H new ATOM 0 HA CYS A 40 -1.124 -9.664 -2.447 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.389 -11.881 -2.311 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.036 -11.515 -3.898 1.00 0.00 H new ATOM 633 N ARG A 41 -3.338 -8.634 -4.623 1.00 0.00 N ATOM 634 CA ARG A 41 -3.519 -7.853 -5.830 1.00 0.00 C ATOM 635 C ARG A 41 -4.721 -6.932 -5.673 1.00 0.00 C ATOM 636 O ARG A 41 -5.563 -6.849 -6.564 1.00 0.00 O ATOM 637 CB ARG A 41 -3.709 -8.791 -7.018 1.00 0.00 C ATOM 638 CG ARG A 41 -4.418 -10.061 -6.556 1.00 0.00 C ATOM 639 CD ARG A 41 -5.681 -10.271 -7.387 1.00 0.00 C ATOM 640 NE ARG A 41 -5.365 -10.334 -8.814 1.00 0.00 N ATOM 641 CZ ARG A 41 -5.675 -9.351 -9.670 1.00 0.00 C ATOM 642 NH1 ARG A 41 -6.299 -8.250 -9.229 1.00 0.00 N ATOM 643 NH2 ARG A 41 -5.360 -9.468 -10.968 1.00 0.00 N ATOM 0 H ARG A 41 -4.202 -8.839 -4.122 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.636 -7.239 -6.006 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.293 -8.298 -7.795 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.743 -9.040 -7.456 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.754 -10.919 -6.661 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.674 -9.983 -5.499 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.174 -11.193 -7.079 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.382 -9.457 -7.202 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.888 -11.161 -9.173 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.538 -8.160 -8.241 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.535 -7.502 -9.881 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.884 -10.305 -11.304 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.596 -8.720 -11.620 1.00 0.00 H new ATOM 657 N ASN A 42 -4.799 -6.240 -4.534 1.00 0.00 N ATOM 658 CA ASN A 42 -5.896 -5.330 -4.268 1.00 0.00 C ATOM 659 C ASN A 42 -5.494 -3.910 -4.643 1.00 0.00 C ATOM 660 O ASN A 42 -6.344 -3.092 -4.989 1.00 0.00 O ATOM 661 CB ASN A 42 -6.276 -5.412 -2.793 1.00 0.00 C ATOM 662 CG ASN A 42 -5.169 -4.847 -1.914 1.00 0.00 C ATOM 663 OD1 ASN A 42 -3.949 -4.786 -2.453 1.00 0.00 O flip ATOM 664 ND2 ASN A 42 -5.412 -4.475 -0.768 1.00 0.00 N flip ATOM 0 H ASN A 42 -4.110 -6.298 -3.784 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.760 -5.611 -4.870 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.200 -4.860 -2.620 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -6.468 -6.450 -2.520 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.361 -4.542 -0.401 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -4.664 -4.100 -0.184 1.00 0.00 H new ATOM 671 N ARG A 43 -4.193 -3.620 -4.574 1.00 0.00 N ATOM 672 CA ARG A 43 -3.684 -2.305 -4.905 1.00 0.00 C ATOM 673 C ARG A 43 -2.575 -2.426 -5.941 1.00 0.00 C ATOM 674 O ARG A 43 -1.397 -2.321 -5.607 1.00 0.00 O ATOM 675 CB ARG A 43 -3.169 -1.627 -3.639 1.00 0.00 C ATOM 676 CG ARG A 43 -2.420 -2.646 -2.785 1.00 0.00 C ATOM 677 CD ARG A 43 -3.008 -2.661 -1.377 1.00 0.00 C ATOM 678 NE ARG A 43 -2.259 -3.565 -0.504 1.00 0.00 N ATOM 679 CZ ARG A 43 -1.808 -3.200 0.704 1.00 0.00 C ATOM 680 NH1 ARG A 43 -2.039 -1.961 1.159 1.00 0.00 N ATOM 681 NH2 ARG A 43 -1.126 -4.074 1.457 1.00 0.00 N ATOM 0 H ARG A 43 -3.477 -4.288 -4.289 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.484 -1.697 -5.328 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.509 -0.800 -3.900 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.001 -1.206 -3.075 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.496 -3.637 -3.233 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.360 -2.394 -2.745 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.992 -1.653 -0.962 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.052 -2.972 -1.419 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.072 -4.514 -0.829 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.558 -1.296 0.586 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.696 -1.683 2.078 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.950 -5.017 1.111 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.783 -3.796 2.376 1.00 0.00 H new ATOM 695 N CYS A 44 -2.956 -2.647 -7.201 1.00 0.00 N ATOM 696 CA CYS A 44 -1.995 -2.781 -8.278 1.00 0.00 C ATOM 697 C CYS A 44 -0.819 -3.629 -7.816 1.00 0.00 C ATOM 698 O CYS A 44 0.335 -3.255 -8.015 1.00 0.00 O ATOM 699 CB CYS A 44 -1.526 -1.396 -8.715 1.00 0.00 C ATOM 700 SG CYS A 44 -0.677 -1.378 -10.313 1.00 0.00 S ATOM 0 H CYS A 44 -3.929 -2.736 -7.493 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.462 -3.277 -9.129 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -2.388 -0.731 -8.765 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.857 -0.993 -7.955 1.00 0.00 H new ATOM 705 N PHE A 45 -1.113 -4.774 -7.196 1.00 0.00 N ATOM 706 CA PHE A 45 -0.080 -5.666 -6.710 1.00 0.00 C ATOM 707 C PHE A 45 1.009 -4.863 -6.013 1.00 0.00 C ATOM 708 O PHE A 45 2.118 -5.355 -5.817 1.00 0.00 O ATOM 709 CB PHE A 45 0.496 -6.459 -7.879 1.00 0.00 C ATOM 710 CG PHE A 45 -0.544 -6.895 -8.883 1.00 0.00 C ATOM 711 CD1 PHE A 45 -1.903 -6.851 -8.548 1.00 0.00 C ATOM 712 CD2 PHE A 45 -0.150 -7.341 -10.150 1.00 0.00 C ATOM 713 CE1 PHE A 45 -2.867 -7.253 -9.479 1.00 0.00 C ATOM 714 CE2 PHE A 45 -1.115 -7.743 -11.082 1.00 0.00 C ATOM 715 CZ PHE A 45 -2.473 -7.699 -10.746 1.00 0.00 C ATOM 0 H PHE A 45 -2.064 -5.098 -7.022 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.506 -6.364 -5.989 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.246 -5.851 -8.385 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.008 -7.340 -7.492 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.207 -6.507 -7.571 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.898 -7.375 -10.409 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.915 -7.219 -9.220 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.811 -8.087 -12.060 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.217 -8.009 -11.465 1.00 0.00 H new ATOM 725 N TYR A 46 0.690 -3.623 -5.637 1.00 0.00 N ATOM 726 CA TYR A 46 1.642 -2.760 -4.967 1.00 0.00 C ATOM 727 C TYR A 46 1.390 -2.781 -3.466 1.00 0.00 C ATOM 728 O TYR A 46 0.698 -1.914 -2.937 1.00 0.00 O ATOM 729 CB TYR A 46 1.516 -1.342 -5.516 1.00 0.00 C ATOM 730 CG TYR A 46 2.791 -0.540 -5.413 1.00 0.00 C ATOM 731 CD1 TYR A 46 3.952 -0.985 -6.055 1.00 0.00 C ATOM 732 CD2 TYR A 46 2.812 0.650 -4.675 1.00 0.00 C ATOM 733 CE1 TYR A 46 5.134 -0.241 -5.960 1.00 0.00 C ATOM 734 CE2 TYR A 46 3.994 1.394 -4.580 1.00 0.00 C ATOM 735 CZ TYR A 46 5.155 0.948 -5.222 1.00 0.00 C ATOM 736 OH TYR A 46 6.307 1.673 -5.130 1.00 0.00 O ATOM 0 H TYR A 46 -0.226 -3.200 -5.790 1.00 0.00 H new ATOM 0 HA TYR A 46 2.655 -3.118 -5.150 1.00 0.00 H new ATOM 0 HB2 TYR A 46 1.211 -1.392 -6.561 1.00 0.00 H new ATOM 0 HB3 TYR A 46 0.724 -0.821 -4.977 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.936 -1.903 -6.624 1.00 0.00 H new ATOM 0 HD2 TYR A 46 1.916 0.994 -4.179 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.030 -0.585 -6.456 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.010 2.312 -4.011 1.00 0.00 H new ATOM 0 HH TYR A 46 6.149 2.470 -4.582 1.00 0.00 H new ATOM 746 N ASN A 47 1.954 -3.778 -2.779 1.00 0.00 N ATOM 747 CA ASN A 47 1.788 -3.905 -1.345 1.00 0.00 C ATOM 748 C ASN A 47 2.693 -5.009 -0.815 1.00 0.00 C ATOM 749 O ASN A 47 2.428 -5.581 0.240 1.00 0.00 O ATOM 750 CB ASN A 47 0.326 -4.206 -1.029 1.00 0.00 C ATOM 751 CG ASN A 47 -0.274 -5.140 -2.070 1.00 0.00 C ATOM 752 OD1 ASN A 47 -1.606 -5.154 -2.166 1.00 0.00 O flip ATOM 753 ND2 ASN A 47 0.453 -5.836 -2.775 1.00 0.00 N flip ATOM 0 H ASN A 47 2.529 -4.506 -3.202 1.00 0.00 H new ATOM 0 HA ASN A 47 2.067 -2.970 -0.859 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.249 -4.659 -0.041 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.242 -3.276 -0.998 1.00 0.00 H new ATOM 0 HD21 ASN A 47 1.466 -5.790 -2.664 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.043 -6.459 -3.471 1.00 0.00 H new ATOM 760 N GLU A 48 3.765 -5.307 -1.552 1.00 0.00 N ATOM 761 CA GLU A 48 4.702 -6.338 -1.152 1.00 0.00 C ATOM 762 C GLU A 48 3.981 -7.672 -1.018 1.00 0.00 C ATOM 763 O GLU A 48 4.607 -8.728 -1.069 1.00 0.00 O ATOM 764 CB GLU A 48 5.358 -5.942 0.168 1.00 0.00 C ATOM 765 CG GLU A 48 4.501 -6.438 1.330 1.00 0.00 C ATOM 766 CD GLU A 48 5.356 -7.146 2.371 1.00 0.00 C ATOM 767 OE1 GLU A 48 6.363 -7.760 1.957 1.00 0.00 O ATOM 768 OE2 GLU A 48 4.987 -7.061 3.562 1.00 0.00 O ATOM 0 H GLU A 48 3.999 -4.843 -2.430 1.00 0.00 H new ATOM 0 HA GLU A 48 5.477 -6.444 -1.912 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.359 -6.369 0.232 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.470 -4.859 0.221 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.983 -5.597 1.790 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.735 -7.119 0.958 1.00 0.00 H new ATOM 775 N TRP A 49 2.658 -7.620 -0.847 1.00 0.00 N ATOM 776 CA TRP A 49 1.862 -8.823 -0.709 1.00 0.00 C ATOM 777 C TRP A 49 2.233 -9.818 -1.799 1.00 0.00 C ATOM 778 O TRP A 49 1.935 -11.006 -1.689 1.00 0.00 O ATOM 779 CB TRP A 49 0.381 -8.462 -0.788 1.00 0.00 C ATOM 780 CG TRP A 49 -0.178 -7.825 0.443 1.00 0.00 C ATOM 781 CD1 TRP A 49 -0.963 -6.726 0.465 1.00 0.00 C ATOM 782 CD2 TRP A 49 -0.012 -8.224 1.838 1.00 0.00 C ATOM 783 NE1 TRP A 49 -1.292 -6.419 1.768 1.00 0.00 N ATOM 784 CE2 TRP A 49 -0.731 -7.312 2.658 1.00 0.00 C ATOM 785 CE3 TRP A 49 0.672 -9.262 2.494 1.00 0.00 C ATOM 786 CZ2 TRP A 49 -0.769 -7.423 4.050 1.00 0.00 C ATOM 787 CZ3 TRP A 49 0.641 -9.383 3.891 1.00 0.00 C ATOM 788 CH2 TRP A 49 -0.077 -8.467 4.670 1.00 0.00 C ATOM 0 H TRP A 49 2.123 -6.753 -0.802 1.00 0.00 H new ATOM 0 HA TRP A 49 2.060 -9.285 0.258 1.00 0.00 H new ATOM 0 HB2 TRP A 49 0.231 -7.786 -1.629 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -0.188 -9.367 -1.001 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -1.284 -6.172 -0.405 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -1.878 -5.630 2.041 1.00 0.00 H new ATOM 0 HE3 TRP A 49 1.231 -9.979 1.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -1.326 -6.711 4.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 1.176 -10.190 4.370 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -0.096 -8.567 5.745 1.00 0.00 H new ATOM 799 N PHE A 50 2.887 -9.330 -2.855 1.00 0.00 N ATOM 800 CA PHE A 50 3.296 -10.176 -3.958 1.00 0.00 C ATOM 801 C PHE A 50 4.475 -11.042 -3.535 1.00 0.00 C ATOM 802 O PHE A 50 4.736 -12.079 -4.141 1.00 0.00 O ATOM 803 CB PHE A 50 3.666 -9.306 -5.156 1.00 0.00 C ATOM 804 CG PHE A 50 3.508 -10.009 -6.483 1.00 0.00 C ATOM 805 CD1 PHE A 50 2.232 -10.352 -6.946 1.00 0.00 C ATOM 806 CD2 PHE A 50 4.638 -10.321 -7.249 1.00 0.00 C ATOM 807 CE1 PHE A 50 2.086 -11.006 -8.176 1.00 0.00 C ATOM 808 CE2 PHE A 50 4.492 -10.974 -8.478 1.00 0.00 C ATOM 809 CZ PHE A 50 3.216 -11.317 -8.942 1.00 0.00 C ATOM 0 H PHE A 50 3.142 -8.348 -2.962 1.00 0.00 H new ATOM 0 HA PHE A 50 2.473 -10.832 -4.243 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.043 -8.411 -5.151 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.699 -8.976 -5.050 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.360 -10.112 -6.355 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.622 -10.058 -6.891 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.102 -11.270 -8.534 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.364 -11.214 -9.069 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.104 -11.821 -9.890 1.00 0.00 H new ATOM 819 N LEU A 51 5.188 -10.613 -2.491 1.00 0.00 N ATOM 820 CA LEU A 51 6.333 -11.348 -1.993 1.00 0.00 C ATOM 821 C LEU A 51 5.887 -12.338 -0.926 1.00 0.00 C ATOM 822 O LEU A 51 6.387 -13.459 -0.868 1.00 0.00 O ATOM 823 CB LEU A 51 7.358 -10.369 -1.426 1.00 0.00 C ATOM 824 CG LEU A 51 8.612 -11.131 -1.010 1.00 0.00 C ATOM 825 CD1 LEU A 51 9.748 -10.808 -1.977 1.00 0.00 C ATOM 826 CD2 LEU A 51 9.014 -10.717 0.403 1.00 0.00 C ATOM 0 H LEU A 51 4.984 -9.755 -1.978 1.00 0.00 H new ATOM 0 HA LEU A 51 6.794 -11.906 -2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.608 -9.615 -2.172 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.938 -9.842 -0.569 1.00 0.00 H new ATOM 0 HG LEU A 51 8.410 -12.202 -1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.644 -11.352 -1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.462 -11.103 -2.986 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.950 -9.737 -1.956 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.910 -11.261 0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.216 -9.646 0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.203 -10.947 1.094 1.00 0.00 H new ATOM 838 N ILE A 52 4.941 -11.920 -0.081 1.00 0.00 N ATOM 839 CA ILE A 52 4.430 -12.769 0.977 1.00 0.00 C ATOM 840 C ILE A 52 3.912 -14.072 0.386 1.00 0.00 C ATOM 841 O ILE A 52 4.105 -15.138 0.967 1.00 0.00 O ATOM 842 CB ILE A 52 3.321 -12.035 1.726 1.00 0.00 C ATOM 843 CG1 ILE A 52 3.881 -10.752 2.335 1.00 0.00 C ATOM 844 CG2 ILE A 52 2.778 -12.930 2.836 1.00 0.00 C ATOM 845 CD1 ILE A 52 3.970 -9.674 1.259 1.00 0.00 C ATOM 0 H ILE A 52 4.517 -10.993 -0.117 1.00 0.00 H new ATOM 0 HA ILE A 52 5.230 -13.004 1.679 1.00 0.00 H new ATOM 0 HB ILE A 52 2.517 -11.787 1.033 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.241 -10.415 3.151 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.867 -10.939 2.760 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.986 -12.406 3.371 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.378 -13.846 2.402 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.582 -13.178 3.529 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.370 -8.758 1.694 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.627 -10.013 0.458 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.976 -9.480 0.855 1.00 0.00 H new ATOM 857 N CYS A 53 3.252 -13.985 -0.771 1.00 0.00 N ATOM 858 CA CYS A 53 2.710 -15.155 -1.433 1.00 0.00 C ATOM 859 C CYS A 53 3.824 -15.900 -2.155 1.00 0.00 C ATOM 860 O CYS A 53 3.966 -17.111 -2.000 1.00 0.00 O ATOM 861 CB CYS A 53 1.623 -14.726 -2.414 1.00 0.00 C ATOM 862 SG CYS A 53 0.047 -14.307 -1.627 1.00 0.00 S ATOM 0 H CYS A 53 3.084 -13.108 -1.264 1.00 0.00 H new ATOM 0 HA CYS A 53 2.270 -15.825 -0.694 1.00 0.00 H new ATOM 0 HB2 CYS A 53 1.977 -13.863 -2.978 1.00 0.00 H new ATOM 0 HB3 CYS A 53 1.457 -15.530 -3.131 1.00 0.00 H new ATOM 867 N LEU A 54 4.616 -15.172 -2.946 1.00 0.00 N ATOM 868 CA LEU A 54 5.711 -15.765 -3.687 1.00 0.00 C ATOM 869 C LEU A 54 6.637 -16.508 -2.734 1.00 0.00 C ATOM 870 O LEU A 54 7.353 -17.420 -3.143 1.00 0.00 O ATOM 871 CB LEU A 54 6.469 -14.673 -4.435 1.00 0.00 C ATOM 872 CG LEU A 54 6.088 -14.710 -5.912 1.00 0.00 C ATOM 873 CD1 LEU A 54 5.460 -13.376 -6.309 1.00 0.00 C ATOM 874 CD2 LEU A 54 7.336 -14.955 -6.754 1.00 0.00 C ATOM 0 H LEU A 54 4.511 -14.167 -3.084 1.00 0.00 H new ATOM 0 HA LEU A 54 5.319 -16.479 -4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.233 -13.697 -4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.543 -14.818 -4.322 1.00 0.00 H new ATOM 0 HG LEU A 54 5.372 -15.514 -6.082 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.188 -13.402 -7.364 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.568 -13.201 -5.708 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.176 -12.572 -6.139 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.064 -14.981 -7.809 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.053 -14.152 -6.584 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.785 -15.907 -6.471 1.00 0.00 H new ATOM 886 N LYS A 55 6.622 -16.115 -1.458 1.00 0.00 N ATOM 887 CA LYS A 55 7.458 -16.744 -0.455 1.00 0.00 C ATOM 888 C LYS A 55 6.867 -18.089 -0.058 1.00 0.00 C ATOM 889 O LYS A 55 7.579 -19.089 0.008 1.00 0.00 O ATOM 890 CB LYS A 55 7.574 -15.826 0.758 1.00 0.00 C ATOM 891 CG LYS A 55 8.921 -15.109 0.726 1.00 0.00 C ATOM 892 CD LYS A 55 8.722 -13.635 1.069 1.00 0.00 C ATOM 893 CE LYS A 55 9.163 -13.384 2.508 1.00 0.00 C ATOM 894 NZ LYS A 55 10.223 -12.365 2.565 1.00 0.00 N ATOM 0 H LYS A 55 6.035 -15.361 -1.103 1.00 0.00 H new ATOM 0 HA LYS A 55 8.454 -16.914 -0.863 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.762 -15.098 0.756 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.480 -16.405 1.676 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.607 -15.569 1.437 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.373 -15.206 -0.261 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.299 -13.011 0.386 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.675 -13.360 0.945 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.309 -13.059 3.102 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.523 -14.313 2.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.757 -12.469 3.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.866 -12.487 1.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.796 -11.417 2.528 1.00 0.00 H new ATOM 908 N ALA A 56 5.559 -18.112 0.207 1.00 0.00 N ATOM 909 CA ALA A 56 4.879 -19.331 0.596 1.00 0.00 C ATOM 910 C ALA A 56 5.025 -20.376 -0.500 1.00 0.00 C ATOM 911 O ALA A 56 4.693 -21.542 -0.298 1.00 0.00 O ATOM 912 CB ALA A 56 3.407 -19.028 0.862 1.00 0.00 C ATOM 0 H ALA A 56 4.955 -17.292 0.157 1.00 0.00 H new ATOM 0 HA ALA A 56 5.326 -19.726 1.508 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.894 -19.944 1.155 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.326 -18.294 1.664 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.948 -18.629 -0.043 1.00 0.00 H new ATOM 918 N ALA A 57 5.523 -19.955 -1.665 1.00 0.00 N ATOM 919 CA ALA A 57 5.710 -20.854 -2.787 1.00 0.00 C ATOM 920 C ALA A 57 7.189 -21.170 -2.953 1.00 0.00 C ATOM 921 O ALA A 57 7.591 -21.762 -3.953 1.00 0.00 O ATOM 922 CB ALA A 57 5.148 -20.210 -4.051 1.00 0.00 C ATOM 0 H ALA A 57 5.803 -18.991 -1.848 1.00 0.00 H new ATOM 0 HA ALA A 57 5.179 -21.788 -2.604 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.288 -20.884 -4.896 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.085 -20.012 -3.917 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.670 -19.273 -4.245 1.00 0.00 H new ATOM 928 N ASN A 58 8.000 -20.774 -1.969 1.00 0.00 N ATOM 929 CA ASN A 58 9.428 -21.018 -2.013 1.00 0.00 C ATOM 930 C ASN A 58 10.062 -20.190 -3.121 1.00 0.00 C ATOM 931 O ASN A 58 11.249 -19.875 -3.065 1.00 0.00 O ATOM 932 CB ASN A 58 9.681 -22.506 -2.238 1.00 0.00 C ATOM 933 CG ASN A 58 10.810 -22.720 -3.236 1.00 0.00 C ATOM 934 OD1 ASN A 58 10.588 -22.315 -4.488 1.00 0.00 O flip ATOM 935 ND2 ASN A 58 11.864 -23.244 -2.880 1.00 0.00 N flip ATOM 0 H ASN A 58 7.683 -20.282 -1.134 1.00 0.00 H new ATOM 0 HA ASN A 58 9.879 -20.724 -1.066 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.932 -22.984 -1.291 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.771 -22.982 -2.604 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.986 -23.537 -1.911 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.616 -23.386 -3.554 1.00 0.00 H new ATOM 942 N ARG A 59 9.265 -19.837 -4.132 1.00 0.00 N ATOM 943 CA ARG A 59 9.749 -19.049 -5.248 1.00 0.00 C ATOM 944 C ARG A 59 10.647 -17.931 -4.739 1.00 0.00 C ATOM 945 O ARG A 59 11.865 -17.990 -4.896 1.00 0.00 O ATOM 946 CB ARG A 59 8.562 -18.479 -6.020 1.00 0.00 C ATOM 947 CG ARG A 59 8.626 -18.946 -7.471 1.00 0.00 C ATOM 948 CD ARG A 59 7.233 -19.362 -7.934 1.00 0.00 C ATOM 949 NE ARG A 59 6.288 -18.251 -7.821 1.00 0.00 N ATOM 950 CZ ARG A 59 4.961 -18.415 -7.909 1.00 0.00 C ATOM 951 NH1 ARG A 59 4.449 -19.637 -8.107 1.00 0.00 N ATOM 952 NH2 ARG A 59 4.146 -17.357 -7.798 1.00 0.00 N ATOM 0 H ARG A 59 8.279 -20.090 -4.193 1.00 0.00 H new ATOM 0 HA ARG A 59 10.332 -19.681 -5.918 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.627 -18.805 -5.563 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.576 -17.390 -5.977 1.00 0.00 H new ATOM 0 HG2 ARG A 59 9.008 -18.146 -8.105 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.317 -19.784 -7.564 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.277 -19.703 -8.968 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.883 -20.203 -7.336 1.00 0.00 H new ATOM 0 HE ARG A 59 6.655 -17.312 -7.669 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.069 -20.442 -8.191 1.00 0.00 H new ATOM 0 HH12 ARG A 59 3.439 -19.762 -8.174 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.536 -16.427 -7.647 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.136 -17.482 -7.865 1.00 0.00 H new ATOM 966 N GLU A 60 10.043 -16.910 -4.127 1.00 0.00 N ATOM 967 CA GLU A 60 10.793 -15.788 -3.598 1.00 0.00 C ATOM 968 C GLU A 60 12.102 -15.633 -4.359 1.00 0.00 C ATOM 969 O GLU A 60 13.168 -15.544 -3.754 1.00 0.00 O ATOM 970 CB GLU A 60 11.054 -16.008 -2.111 1.00 0.00 C ATOM 971 CG GLU A 60 11.608 -14.726 -1.496 1.00 0.00 C ATOM 972 CD GLU A 60 11.617 -14.811 0.023 1.00 0.00 C ATOM 973 OE1 GLU A 60 11.679 -15.954 0.527 1.00 0.00 O ATOM 974 OE2 GLU A 60 11.561 -13.733 0.652 1.00 0.00 O ATOM 0 H GLU A 60 9.034 -16.845 -3.989 1.00 0.00 H new ATOM 0 HA GLU A 60 10.216 -14.871 -3.721 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.131 -16.296 -1.608 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.761 -16.826 -1.972 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.620 -14.551 -1.860 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.004 -13.876 -1.813 1.00 0.00 H new ATOM 981 N ASP A 61 12.018 -15.600 -5.691 1.00 0.00 N ATOM 982 CA ASP A 61 13.192 -15.456 -6.527 1.00 0.00 C ATOM 983 C ASP A 61 12.864 -14.583 -7.730 1.00 0.00 C ATOM 984 O ASP A 61 13.676 -13.758 -8.141 1.00 0.00 O ATOM 985 CB ASP A 61 13.670 -16.835 -6.973 1.00 0.00 C ATOM 986 CG ASP A 61 14.766 -17.354 -6.054 1.00 0.00 C ATOM 987 OD1 ASP A 61 15.819 -16.684 -5.990 1.00 0.00 O ATOM 988 OD2 ASP A 61 14.530 -18.413 -5.432 1.00 0.00 O ATOM 0 H ASP A 61 11.141 -15.672 -6.207 1.00 0.00 H new ATOM 0 HA ASP A 61 13.990 -14.975 -5.961 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.832 -17.532 -6.975 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.043 -16.782 -7.996 1.00 0.00 H new ATOM 993 N GLU A 62 11.668 -14.768 -8.295 1.00 0.00 N ATOM 994 CA GLU A 62 11.242 -13.996 -9.446 1.00 0.00 C ATOM 995 C GLU A 62 10.531 -12.730 -8.988 1.00 0.00 C ATOM 996 O GLU A 62 9.616 -12.252 -9.654 1.00 0.00 O ATOM 997 CB GLU A 62 10.323 -14.848 -10.315 1.00 0.00 C ATOM 998 CG GLU A 62 10.965 -16.212 -10.551 1.00 0.00 C ATOM 999 CD GLU A 62 10.065 -17.097 -11.401 1.00 0.00 C ATOM 1000 OE1 GLU A 62 9.630 -16.608 -12.466 1.00 0.00 O ATOM 1001 OE2 GLU A 62 9.828 -18.246 -10.970 1.00 0.00 O ATOM 0 H GLU A 62 10.983 -15.449 -7.967 1.00 0.00 H new ATOM 0 HA GLU A 62 12.112 -13.705 -10.035 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.355 -14.969 -9.829 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.141 -14.350 -11.268 1.00 0.00 H new ATOM 0 HG2 GLU A 62 11.928 -16.084 -11.046 1.00 0.00 H new ATOM 0 HG3 GLU A 62 11.160 -16.697 -9.594 1.00 0.00 H new ATOM 1008 N ILE A 63 10.957 -12.187 -7.844 1.00 0.00 N ATOM 1009 CA ILE A 63 10.365 -10.981 -7.302 1.00 0.00 C ATOM 1010 C ILE A 63 10.934 -9.763 -8.015 1.00 0.00 C ATOM 1011 O ILE A 63 10.189 -8.978 -8.598 1.00 0.00 O ATOM 1012 CB ILE A 63 10.641 -10.909 -5.803 1.00 0.00 C ATOM 1013 CG1 ILE A 63 10.047 -12.136 -5.116 1.00 0.00 C ATOM 1014 CG2 ILE A 63 10.005 -9.647 -5.228 1.00 0.00 C ATOM 1015 CD1 ILE A 63 8.524 -12.037 -5.127 1.00 0.00 C ATOM 0 H ILE A 63 11.714 -12.573 -7.280 1.00 0.00 H new ATOM 0 HA ILE A 63 9.286 -10.998 -7.458 1.00 0.00 H new ATOM 0 HB ILE A 63 11.717 -10.883 -5.633 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.367 -13.043 -5.628 1.00 0.00 H new ATOM 0 HG13 ILE A 63 10.410 -12.204 -4.091 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.202 -9.596 -4.157 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.429 -8.770 -5.718 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.929 -9.672 -5.398 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.099 -12.913 -4.637 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.214 -11.137 -4.595 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.170 -11.990 -6.157 1.00 0.00 H new ATOM 1027 N GLU A 64 12.259 -9.605 -7.968 1.00 0.00 N ATOM 1028 CA GLU A 64 12.916 -8.485 -8.610 1.00 0.00 C ATOM 1029 C GLU A 64 12.255 -8.193 -9.950 1.00 0.00 C ATOM 1030 O GLU A 64 11.810 -7.074 -10.196 1.00 0.00 O ATOM 1031 CB GLU A 64 14.397 -8.804 -8.796 1.00 0.00 C ATOM 1032 CG GLU A 64 14.551 -9.920 -9.825 1.00 0.00 C ATOM 1033 CD GLU A 64 15.781 -10.766 -9.530 1.00 0.00 C ATOM 1034 OE1 GLU A 64 15.768 -11.439 -8.477 1.00 0.00 O ATOM 1035 OE2 GLU A 64 16.712 -10.723 -10.363 1.00 0.00 O ATOM 0 H GLU A 64 12.892 -10.245 -7.488 1.00 0.00 H new ATOM 0 HA GLU A 64 12.823 -7.598 -7.983 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.933 -7.914 -9.126 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.837 -9.107 -7.846 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.662 -10.550 -9.820 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.631 -9.491 -10.824 1.00 0.00 H new ATOM 1042 N LYS A 65 12.191 -9.205 -10.817 1.00 0.00 N ATOM 1043 CA LYS A 65 11.585 -9.053 -12.125 1.00 0.00 C ATOM 1044 C LYS A 65 10.110 -8.708 -11.975 1.00 0.00 C ATOM 1045 O LYS A 65 9.611 -7.799 -12.635 1.00 0.00 O ATOM 1046 CB LYS A 65 11.759 -10.345 -12.918 1.00 0.00 C ATOM 1047 CG LYS A 65 11.316 -11.530 -12.065 1.00 0.00 C ATOM 1048 CD LYS A 65 10.348 -12.399 -12.863 1.00 0.00 C ATOM 1049 CE LYS A 65 11.078 -13.641 -13.368 1.00 0.00 C ATOM 1050 NZ LYS A 65 10.872 -13.822 -14.813 1.00 0.00 N ATOM 0 H LYS A 65 12.555 -10.139 -10.628 1.00 0.00 H new ATOM 0 HA LYS A 65 12.074 -8.241 -12.664 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.171 -10.303 -13.835 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.801 -10.465 -13.213 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.183 -12.117 -11.761 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.836 -11.176 -11.153 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.503 -12.689 -12.238 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.944 -11.835 -13.703 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.144 -13.552 -13.157 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.720 -14.521 -12.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.378 -14.673 -15.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.856 -13.930 -15.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.236 -12.991 -15.322 1.00 0.00 H new ATOM 1064 N PHE A 66 9.411 -9.438 -11.102 1.00 0.00 N ATOM 1065 CA PHE A 66 8.000 -9.205 -10.871 1.00 0.00 C ATOM 1066 C PHE A 66 7.788 -7.790 -10.351 1.00 0.00 C ATOM 1067 O PHE A 66 6.716 -7.216 -10.528 1.00 0.00 O ATOM 1068 CB PHE A 66 7.474 -10.233 -9.873 1.00 0.00 C ATOM 1069 CG PHE A 66 7.262 -11.602 -10.473 1.00 0.00 C ATOM 1070 CD1 PHE A 66 7.415 -11.794 -11.851 1.00 0.00 C ATOM 1071 CD2 PHE A 66 6.915 -12.681 -9.650 1.00 0.00 C ATOM 1072 CE1 PHE A 66 7.221 -13.064 -12.407 1.00 0.00 C ATOM 1073 CE2 PHE A 66 6.720 -13.951 -10.206 1.00 0.00 C ATOM 1074 CZ PHE A 66 6.873 -14.143 -11.584 1.00 0.00 C ATOM 0 H PHE A 66 9.809 -10.195 -10.547 1.00 0.00 H new ATOM 0 HA PHE A 66 7.451 -9.311 -11.807 1.00 0.00 H new ATOM 0 HB2 PHE A 66 8.176 -10.314 -9.043 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.531 -9.876 -9.459 1.00 0.00 H new ATOM 0 HD1 PHE A 66 7.683 -10.962 -12.486 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.798 -12.533 -8.587 1.00 0.00 H new ATOM 0 HE1 PHE A 66 7.340 -13.212 -13.470 1.00 0.00 H new ATOM 0 HE2 PHE A 66 6.451 -14.783 -9.572 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.723 -15.123 -12.013 1.00 0.00 H new ATOM 1084 N ARG A 67 8.815 -7.229 -9.709 1.00 0.00 N ATOM 1085 CA ARG A 67 8.737 -5.887 -9.167 1.00 0.00 C ATOM 1086 C ARG A 67 8.573 -4.883 -10.299 1.00 0.00 C ATOM 1087 O ARG A 67 7.587 -4.152 -10.345 1.00 0.00 O ATOM 1088 CB ARG A 67 9.998 -5.592 -8.360 1.00 0.00 C ATOM 1089 CG ARG A 67 9.608 -5.066 -6.982 1.00 0.00 C ATOM 1090 CD ARG A 67 9.752 -6.183 -5.952 1.00 0.00 C ATOM 1091 NE ARG A 67 8.971 -5.892 -4.749 1.00 0.00 N ATOM 1092 CZ ARG A 67 9.301 -6.363 -3.539 1.00 0.00 C ATOM 1093 NH1 ARG A 67 10.387 -7.135 -3.393 1.00 0.00 N ATOM 1094 NH2 ARG A 67 8.545 -6.063 -2.474 1.00 0.00 N ATOM 0 H ARG A 67 9.711 -7.692 -9.556 1.00 0.00 H new ATOM 0 HA ARG A 67 7.873 -5.805 -8.508 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.598 -6.496 -8.259 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.613 -4.858 -8.881 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.242 -4.222 -6.710 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.581 -4.701 -6.997 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.421 -7.127 -6.385 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.802 -6.305 -5.687 1.00 0.00 H new ATOM 0 HE ARG A 67 8.141 -5.306 -4.835 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.963 -7.364 -4.203 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.638 -7.493 -2.472 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.718 -5.476 -2.585 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.796 -6.422 -1.553 1.00 0.00 H new ATOM 1108 N VAL A 68 9.545 -4.849 -11.214 1.00 0.00 N ATOM 1109 CA VAL A 68 9.505 -3.937 -12.339 1.00 0.00 C ATOM 1110 C VAL A 68 8.164 -4.053 -13.048 1.00 0.00 C ATOM 1111 O VAL A 68 7.653 -3.071 -13.582 1.00 0.00 O ATOM 1112 CB VAL A 68 10.652 -4.257 -13.293 1.00 0.00 C ATOM 1113 CG1 VAL A 68 10.245 -5.406 -14.211 1.00 0.00 C ATOM 1114 CG2 VAL A 68 10.972 -3.024 -14.134 1.00 0.00 C ATOM 0 H VAL A 68 10.369 -5.449 -11.189 1.00 0.00 H new ATOM 0 HA VAL A 68 9.619 -2.912 -11.987 1.00 0.00 H new ATOM 0 HB VAL A 68 11.533 -4.545 -12.719 1.00 0.00 H new ATOM 0 HG11 VAL A 68 11.064 -5.635 -14.893 1.00 0.00 H new ATOM 0 HG12 VAL A 68 10.015 -6.287 -13.611 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.365 -5.118 -14.786 1.00 0.00 H new ATOM 0 HG21 VAL A 68 11.791 -3.251 -14.816 1.00 0.00 H new ATOM 0 HG22 VAL A 68 10.091 -2.737 -14.708 1.00 0.00 H new ATOM 0 HG23 VAL A 68 11.262 -2.202 -13.479 1.00 0.00 H new ATOM 1124 N TRP A 69 7.592 -5.260 -13.053 1.00 0.00 N ATOM 1125 CA TRP A 69 6.314 -5.494 -13.695 1.00 0.00 C ATOM 1126 C TRP A 69 5.229 -4.686 -12.999 1.00 0.00 C ATOM 1127 O TRP A 69 4.503 -3.931 -13.642 1.00 0.00 O ATOM 1128 CB TRP A 69 5.991 -6.985 -13.652 1.00 0.00 C ATOM 1129 CG TRP A 69 6.844 -7.840 -14.533 1.00 0.00 C ATOM 1130 CD1 TRP A 69 7.843 -7.392 -15.324 1.00 0.00 C ATOM 1131 CD2 TRP A 69 6.794 -9.286 -14.733 1.00 0.00 C ATOM 1132 NE1 TRP A 69 8.412 -8.454 -15.995 1.00 0.00 N ATOM 1133 CE2 TRP A 69 7.802 -9.648 -15.667 1.00 0.00 C ATOM 1134 CE3 TRP A 69 6.001 -10.328 -14.221 1.00 0.00 C ATOM 1135 CZ2 TRP A 69 8.012 -10.969 -16.071 1.00 0.00 C ATOM 1136 CZ3 TRP A 69 6.204 -11.657 -14.620 1.00 0.00 C ATOM 1137 CH2 TRP A 69 7.205 -11.981 -15.542 1.00 0.00 C ATOM 0 H TRP A 69 8.002 -6.086 -12.616 1.00 0.00 H new ATOM 0 HA TRP A 69 6.362 -5.175 -14.736 1.00 0.00 H new ATOM 0 HB2 TRP A 69 6.091 -7.334 -12.624 1.00 0.00 H new ATOM 0 HB3 TRP A 69 4.948 -7.124 -13.935 1.00 0.00 H new ATOM 0 HD1 TRP A 69 8.149 -6.360 -15.417 1.00 0.00 H new ATOM 0 HE1 TRP A 69 9.187 -8.368 -16.652 1.00 0.00 H new ATOM 0 HE3 TRP A 69 5.222 -10.101 -13.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 8.788 -11.206 -16.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 5.581 -12.439 -14.211 1.00 0.00 H new ATOM 0 HH2 TRP A 69 7.354 -13.007 -15.844 1.00 0.00 H new ATOM 1148 N ILE A 70 5.119 -4.848 -11.678 1.00 0.00 N ATOM 1149 CA ILE A 70 4.127 -4.135 -10.898 1.00 0.00 C ATOM 1150 C ILE A 70 4.204 -2.646 -11.204 1.00 0.00 C ATOM 1151 O ILE A 70 3.221 -1.926 -11.044 1.00 0.00 O ATOM 1152 CB ILE A 70 4.365 -4.396 -9.413 1.00 0.00 C ATOM 1153 CG1 ILE A 70 4.147 -5.877 -9.115 1.00 0.00 C ATOM 1154 CG2 ILE A 70 3.389 -3.562 -8.588 1.00 0.00 C ATOM 1155 CD1 ILE A 70 2.931 -6.378 -9.889 1.00 0.00 C ATOM 0 H ILE A 70 5.712 -5.472 -11.132 1.00 0.00 H new ATOM 0 HA ILE A 70 3.130 -4.488 -11.160 1.00 0.00 H new ATOM 0 HB ILE A 70 5.388 -4.121 -9.155 1.00 0.00 H new ATOM 0 HG12 ILE A 70 5.031 -6.449 -9.396 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.997 -6.026 -8.046 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.558 -3.748 -7.527 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.544 -2.504 -8.801 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.366 -3.838 -8.846 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.775 -7.436 -9.677 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.049 -5.813 -9.587 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.099 -6.244 -10.958 1.00 0.00 H new ATOM 1167 N SER A 71 5.376 -2.185 -11.646 1.00 0.00 N ATOM 1168 CA SER A 71 5.573 -0.787 -11.972 1.00 0.00 C ATOM 1169 C SER A 71 4.961 -0.483 -13.333 1.00 0.00 C ATOM 1170 O SER A 71 4.437 0.607 -13.551 1.00 0.00 O ATOM 1171 CB SER A 71 7.066 -0.470 -11.968 1.00 0.00 C ATOM 1172 OG SER A 71 7.329 0.533 -11.011 1.00 0.00 O ATOM 0 H SER A 71 6.201 -2.769 -11.784 1.00 0.00 H new ATOM 0 HA SER A 71 5.080 -0.163 -11.226 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.639 -1.368 -11.737 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.381 -0.136 -12.957 1.00 0.00 H new ATOM 0 HG SER A 71 8.288 0.737 -11.006 1.00 0.00 H new ATOM 1178 N ILE A 72 5.029 -1.452 -14.248 1.00 0.00 N ATOM 1179 CA ILE A 72 4.481 -1.288 -15.580 1.00 0.00 C ATOM 1180 C ILE A 72 2.982 -1.041 -15.493 1.00 0.00 C ATOM 1181 O ILE A 72 2.453 -0.173 -16.184 1.00 0.00 O ATOM 1182 CB ILE A 72 4.777 -2.535 -16.408 1.00 0.00 C ATOM 1183 CG1 ILE A 72 6.287 -2.730 -16.514 1.00 0.00 C ATOM 1184 CG2 ILE A 72 4.187 -2.369 -17.805 1.00 0.00 C ATOM 1185 CD1 ILE A 72 6.583 -4.104 -17.108 1.00 0.00 C ATOM 0 H ILE A 72 5.462 -2.360 -14.082 1.00 0.00 H new ATOM 0 HA ILE A 72 4.943 -0.428 -16.065 1.00 0.00 H new ATOM 0 HB ILE A 72 4.332 -3.405 -15.926 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.722 -1.950 -17.140 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.746 -2.641 -15.529 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.398 -3.259 -18.397 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.108 -2.230 -17.730 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.632 -1.499 -18.287 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.661 -4.243 -17.184 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.162 -4.877 -16.465 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.138 -4.175 -18.100 1.00 0.00 H new ATOM 1197 N LEU A 73 2.296 -1.806 -14.641 1.00 0.00 N ATOM 1198 CA LEU A 73 0.864 -1.666 -14.468 1.00 0.00 C ATOM 1199 C LEU A 73 0.539 -0.268 -13.963 1.00 0.00 C ATOM 1200 O LEU A 73 -0.620 0.142 -13.963 1.00 0.00 O ATOM 1201 CB LEU A 73 0.364 -2.724 -13.489 1.00 0.00 C ATOM 1202 CG LEU A 73 1.103 -4.036 -13.737 1.00 0.00 C ATOM 1203 CD1 LEU A 73 1.145 -4.849 -12.446 1.00 0.00 C ATOM 1204 CD2 LEU A 73 0.376 -4.833 -14.817 1.00 0.00 C ATOM 0 H LEU A 73 2.720 -2.530 -14.061 1.00 0.00 H new ATOM 0 HA LEU A 73 0.363 -1.810 -15.425 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.526 -2.391 -12.464 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.709 -2.870 -13.611 1.00 0.00 H new ATOM 0 HG LEU A 73 2.120 -3.823 -14.065 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.673 -5.786 -12.623 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.664 -4.280 -11.675 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.128 -5.062 -12.117 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.903 -5.770 -14.995 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.642 -5.046 -14.489 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.346 -4.253 -15.739 1.00 0.00 H new ATOM 1216 N ASN A 74 1.567 0.466 -13.532 1.00 0.00 N ATOM 1217 CA ASN A 74 1.385 1.813 -13.029 1.00 0.00 C ATOM 1218 C ASN A 74 1.735 2.823 -14.112 1.00 0.00 C ATOM 1219 O ASN A 74 2.055 3.972 -13.815 1.00 0.00 O ATOM 1220 CB ASN A 74 2.263 2.016 -11.797 1.00 0.00 C ATOM 1221 CG ASN A 74 1.612 1.412 -10.561 1.00 0.00 C ATOM 1222 OD1 ASN A 74 0.505 1.796 -10.190 1.00 0.00 O ATOM 1223 ND2 ASN A 74 2.302 0.463 -9.924 1.00 0.00 N ATOM 0 H ASN A 74 2.534 0.141 -13.525 1.00 0.00 H new ATOM 0 HA ASN A 74 0.343 1.962 -12.747 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.238 1.557 -11.961 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.435 3.081 -11.639 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.913 0.023 -9.090 1.00 0.00 H new ATOM 0 HD22 ASN A 74 3.218 0.178 -10.271 1.00 0.00 H new