USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 681 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 43 HIS :FLIP no HD1:sc= -0.0136 F(o=-1.2,f=-0.014) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -2.71 K(o=-2.7,f=-5.1!) USER MOD Single : A 60 GLN : amide:sc=-0.00163 X(o=-0.0016,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 7:sc= 0.253 USER MOD Single : A 79 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0405) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0208 USER MOD Single : A 86 HIS : no HD1:sc= -2.73 K(o=-2.7,f=-7.6!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 CYS SG : rot 180:sc= -0.223 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -9:sc= 0.676 USER MOD Single : A 95 CYS SG : rot 89:sc= 0.0598 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0459) USER MOD Single : A 104 GLN :FLIP amide:sc= 0 F(o=-0.85,f=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-7.4!) USER MOD Single : A 110 GLN : amide:sc= -9.1! C(o=-9.1!,f=-20!) USER MOD Single : A 111 LYS NZ :NH3+ 151:sc= -0.319 (180deg=-2.53) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl 176:sc= 0 (180deg=-0.0103) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 135 N ASP A 42 1.030 13.884 -7.184 1.00 0.00 N ATOM 136 CA ASP A 42 0.673 15.235 -6.766 1.00 0.00 C ATOM 137 C ASP A 42 1.651 15.756 -5.718 1.00 0.00 C ATOM 138 O ASP A 42 2.170 14.991 -4.904 1.00 0.00 O ATOM 139 CB ASP A 42 -0.751 15.260 -6.210 1.00 0.00 C ATOM 140 CG ASP A 42 -1.800 15.248 -7.305 1.00 0.00 C ATOM 141 OD1 ASP A 42 -1.548 14.634 -8.362 1.00 0.00 O ATOM 142 OD2 ASP A 42 -2.875 15.851 -7.103 1.00 0.00 O ATOM 0 HA ASP A 42 0.725 15.885 -7.640 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.899 14.398 -5.559 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.882 16.150 -5.595 1.00 0.00 H new ATOM 147 N HIS A 43 1.899 17.061 -5.743 1.00 0.00 N ATOM 148 CA HIS A 43 2.815 17.684 -4.795 1.00 0.00 C ATOM 149 C HIS A 43 2.404 17.375 -3.359 1.00 0.00 C ATOM 150 O HIS A 43 3.250 17.111 -2.504 1.00 0.00 O ATOM 151 CB HIS A 43 2.856 19.197 -5.011 1.00 0.00 C ATOM 152 CG HIS A 43 1.501 19.835 -5.038 1.00 0.00 C ATOM 153 ND1 HIS A 43 0.521 19.794 -5.971 1.00 0.00 N flip ATOM 154 CD2 HIS A 43 1.023 20.630 -4.018 1.00 0.00 C flip ATOM 155 CE1 HIS A 43 -0.521 20.555 -5.502 1.00 0.00 C flip ATOM 156 NE2 HIS A 43 -0.193 21.048 -4.321 1.00 0.00 N flip ATOM 0 H HIS A 43 1.478 17.708 -6.410 1.00 0.00 H new ATOM 0 HA HIS A 43 3.810 17.273 -4.966 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.448 19.653 -4.217 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.367 19.408 -5.951 1.00 0.00 H new ATOM 0 HD2 HIS A 43 1.559 20.873 -3.113 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -1.456 20.723 -6.015 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -0.779 21.649 -3.742 1.00 0.00 H new ATOM 165 N ASP A 44 1.101 17.410 -3.101 1.00 0.00 N ATOM 166 CA ASP A 44 0.578 17.133 -1.768 1.00 0.00 C ATOM 167 C ASP A 44 -0.085 15.760 -1.719 1.00 0.00 C ATOM 168 O ASP A 44 -1.125 15.584 -1.085 1.00 0.00 O ATOM 169 CB ASP A 44 -0.425 18.212 -1.357 1.00 0.00 C ATOM 170 CG ASP A 44 -1.039 17.944 0.003 1.00 0.00 C ATOM 171 OD1 ASP A 44 -0.367 17.308 0.842 1.00 0.00 O ATOM 172 OD2 ASP A 44 -2.191 18.369 0.229 1.00 0.00 O ATOM 0 H ASP A 44 0.388 17.627 -3.797 1.00 0.00 H new ATOM 0 HA ASP A 44 1.414 17.138 -1.068 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.074 19.181 -1.343 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.216 18.272 -2.104 1.00 0.00 H new ATOM 177 N ALA A 45 0.524 14.790 -2.395 1.00 0.00 N ATOM 178 CA ALA A 45 -0.006 13.433 -2.427 1.00 0.00 C ATOM 179 C ALA A 45 0.104 12.767 -1.060 1.00 0.00 C ATOM 180 O ALA A 45 0.621 13.358 -0.111 1.00 0.00 O ATOM 181 CB ALA A 45 0.720 12.607 -3.479 1.00 0.00 C ATOM 0 H ALA A 45 1.384 14.920 -2.927 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.062 13.489 -2.690 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.314 11.596 -3.492 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.584 13.065 -4.459 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.783 12.568 -3.241 1.00 0.00 H new ATOM 187 N ILE A 46 -0.384 11.535 -0.965 1.00 0.00 N ATOM 188 CA ILE A 46 -0.339 10.790 0.287 1.00 0.00 C ATOM 189 C ILE A 46 0.054 9.336 0.047 1.00 0.00 C ATOM 190 O ILE A 46 -0.262 8.759 -0.993 1.00 0.00 O ATOM 191 CB ILE A 46 -1.696 10.830 1.015 1.00 0.00 C ATOM 192 CG1 ILE A 46 -2.190 12.272 1.140 1.00 0.00 C ATOM 193 CG2 ILE A 46 -1.580 10.183 2.387 1.00 0.00 C ATOM 194 CD1 ILE A 46 -3.600 12.383 1.676 1.00 0.00 C ATOM 0 H ILE A 46 -0.815 11.031 -1.740 1.00 0.00 H new ATOM 0 HA ILE A 46 0.414 11.269 0.913 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.423 10.267 0.429 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.516 12.823 1.796 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.143 12.750 0.161 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.547 10.219 2.889 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.268 9.145 2.274 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.842 10.721 2.982 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.884 13.434 1.738 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.285 11.861 1.008 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.648 11.935 2.668 1.00 0.00 H new ATOM 206 N LYS A 47 0.745 8.748 1.018 1.00 0.00 N ATOM 207 CA LYS A 47 1.180 7.360 0.916 1.00 0.00 C ATOM 208 C LYS A 47 0.363 6.465 1.841 1.00 0.00 C ATOM 209 O LYS A 47 0.433 6.590 3.064 1.00 0.00 O ATOM 210 CB LYS A 47 2.667 7.244 1.259 1.00 0.00 C ATOM 211 CG LYS A 47 3.148 5.810 1.402 1.00 0.00 C ATOM 212 CD LYS A 47 4.299 5.704 2.389 1.00 0.00 C ATOM 213 CE LYS A 47 5.644 5.844 1.693 1.00 0.00 C ATOM 214 NZ LYS A 47 6.697 6.347 2.618 1.00 0.00 N ATOM 0 H LYS A 47 1.016 9.212 1.885 1.00 0.00 H new ATOM 0 HA LYS A 47 1.023 7.030 -0.111 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.250 7.738 0.482 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.859 7.777 2.190 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.323 5.180 1.735 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.465 5.433 0.430 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.200 6.478 3.150 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.252 4.744 2.903 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.946 4.878 1.289 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.547 6.526 0.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.599 6.429 2.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.421 7.281 2.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.808 5.684 3.411 1.00 0.00 H new ATOM 228 N LEU A 48 -0.411 5.561 1.250 1.00 0.00 N ATOM 229 CA LEU A 48 -1.241 4.642 2.022 1.00 0.00 C ATOM 230 C LEU A 48 -0.479 3.362 2.346 1.00 0.00 C ATOM 231 O LEU A 48 -0.039 2.644 1.448 1.00 0.00 O ATOM 232 CB LEU A 48 -2.519 4.308 1.250 1.00 0.00 C ATOM 233 CG LEU A 48 -3.475 5.473 0.997 1.00 0.00 C ATOM 234 CD1 LEU A 48 -4.622 5.037 0.099 1.00 0.00 C ATOM 235 CD2 LEU A 48 -4.005 6.024 2.313 1.00 0.00 C ATOM 0 H LEU A 48 -0.481 5.445 0.239 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.507 5.131 2.959 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.237 3.880 0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.058 3.534 1.797 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.925 6.266 0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.292 5.880 -0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.226 4.692 -0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.172 4.227 0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.684 6.853 2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.539 5.238 2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.172 6.376 2.922 1.00 0.00 H new ATOM 247 N PHE A 49 -0.328 3.080 3.636 1.00 0.00 N ATOM 248 CA PHE A 49 0.380 1.885 4.080 1.00 0.00 C ATOM 249 C PHE A 49 -0.602 0.802 4.518 1.00 0.00 C ATOM 250 O PHE A 49 -1.531 1.063 5.283 1.00 0.00 O ATOM 251 CB PHE A 49 1.327 2.225 5.232 1.00 0.00 C ATOM 252 CG PHE A 49 1.849 1.017 5.957 1.00 0.00 C ATOM 253 CD1 PHE A 49 3.016 0.395 5.544 1.00 0.00 C ATOM 254 CD2 PHE A 49 1.172 0.505 7.051 1.00 0.00 C ATOM 255 CE1 PHE A 49 3.497 -0.717 6.208 1.00 0.00 C ATOM 256 CE2 PHE A 49 1.648 -0.607 7.721 1.00 0.00 C ATOM 257 CZ PHE A 49 2.813 -1.218 7.299 1.00 0.00 C ATOM 0 H PHE A 49 -0.687 3.663 4.392 1.00 0.00 H new ATOM 0 HA PHE A 49 0.962 1.506 3.240 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.169 2.797 4.842 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.806 2.868 5.942 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.556 0.784 4.693 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.261 0.980 7.385 1.00 0.00 H new ATOM 0 HE1 PHE A 49 4.407 -1.194 5.875 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.110 -0.997 8.572 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.188 -2.086 7.821 1.00 0.00 H new ATOM 267 N VAL A 50 -0.391 -0.415 4.026 1.00 0.00 N ATOM 268 CA VAL A 50 -1.256 -1.538 4.366 1.00 0.00 C ATOM 269 C VAL A 50 -0.565 -2.491 5.334 1.00 0.00 C ATOM 270 O VAL A 50 0.614 -2.806 5.176 1.00 0.00 O ATOM 271 CB VAL A 50 -1.681 -2.320 3.109 1.00 0.00 C ATOM 272 CG1 VAL A 50 -2.715 -3.378 3.461 1.00 0.00 C ATOM 273 CG2 VAL A 50 -2.216 -1.371 2.047 1.00 0.00 C ATOM 0 H VAL A 50 0.372 -0.648 3.390 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.143 -1.121 4.843 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.804 -2.825 2.704 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.003 -3.920 2.560 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.291 -4.075 4.184 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.594 -2.899 3.892 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.512 -1.940 1.166 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.080 -0.835 2.440 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.440 -0.656 1.774 1.00 0.00 H new ATOM 283 N GLY A 51 -1.307 -2.947 6.339 1.00 0.00 N ATOM 284 CA GLY A 51 -0.749 -3.860 7.319 1.00 0.00 C ATOM 285 C GLY A 51 -1.610 -5.091 7.520 1.00 0.00 C ATOM 286 O GLY A 51 -1.611 -5.685 8.598 1.00 0.00 O ATOM 0 H GLY A 51 -2.285 -2.700 6.492 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.248 -4.165 7.000 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.634 -3.341 8.271 1.00 0.00 H new ATOM 290 N GLN A 52 -2.345 -5.474 6.482 1.00 0.00 N ATOM 291 CA GLN A 52 -3.216 -6.641 6.551 1.00 0.00 C ATOM 292 C GLN A 52 -3.039 -7.527 5.322 1.00 0.00 C ATOM 293 O GLN A 52 -4.013 -8.034 4.765 1.00 0.00 O ATOM 294 CB GLN A 52 -4.677 -6.207 6.675 1.00 0.00 C ATOM 295 CG GLN A 52 -5.018 -5.594 8.024 1.00 0.00 C ATOM 296 CD GLN A 52 -5.390 -6.635 9.061 1.00 0.00 C ATOM 297 OE1 GLN A 52 -6.562 -6.797 9.401 1.00 0.00 O ATOM 298 NE2 GLN A 52 -4.392 -7.348 9.569 1.00 0.00 N ATOM 0 H GLN A 52 -2.355 -4.993 5.583 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.939 -7.217 7.434 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.900 -5.484 5.890 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.320 -7.071 6.505 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.165 -5.018 8.383 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.846 -4.896 7.903 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.435 -7.180 9.258 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.582 -8.064 10.270 1.00 0.00 H new ATOM 307 N ILE A 53 -1.790 -7.709 4.905 1.00 0.00 N ATOM 308 CA ILE A 53 -1.486 -8.534 3.743 1.00 0.00 C ATOM 309 C ILE A 53 -1.019 -9.924 4.162 1.00 0.00 C ATOM 310 O ILE A 53 0.024 -10.091 4.795 1.00 0.00 O ATOM 311 CB ILE A 53 -0.403 -7.886 2.860 1.00 0.00 C ATOM 312 CG1 ILE A 53 -0.879 -6.524 2.350 1.00 0.00 C ATOM 313 CG2 ILE A 53 -0.051 -8.800 1.696 1.00 0.00 C ATOM 314 CD1 ILE A 53 0.238 -5.657 1.812 1.00 0.00 C ATOM 0 H ILE A 53 -0.973 -7.296 5.355 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.408 -8.621 3.168 1.00 0.00 H new ATOM 0 HB ILE A 53 0.493 -7.735 3.461 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.619 -6.677 1.565 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.380 -5.996 3.161 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.716 -8.328 1.082 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.325 -9.749 2.079 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.941 -8.979 1.092 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.172 -4.707 1.468 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.968 -5.473 2.600 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.724 -6.165 0.979 1.00 0.00 H new ATOM 326 N PRO A 54 -1.808 -10.947 3.801 1.00 0.00 N ATOM 327 CA PRO A 54 -1.495 -12.341 4.127 1.00 0.00 C ATOM 328 C PRO A 54 -0.294 -12.864 3.346 1.00 0.00 C ATOM 329 O PRO A 54 0.397 -12.102 2.668 1.00 0.00 O ATOM 330 CB PRO A 54 -2.765 -13.094 3.722 1.00 0.00 C ATOM 331 CG PRO A 54 -3.393 -12.241 2.674 1.00 0.00 C ATOM 332 CD PRO A 54 -3.066 -10.821 3.046 1.00 0.00 C ATOM 0 HA PRO A 54 -1.227 -12.463 5.176 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -2.531 -14.086 3.337 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.432 -13.231 4.573 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -3.003 -12.485 1.686 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.471 -12.397 2.638 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.944 -10.192 2.164 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.854 -10.372 3.651 1.00 0.00 H new ATOM 340 N ARG A 55 -0.051 -14.167 3.445 1.00 0.00 N ATOM 341 CA ARG A 55 1.068 -14.790 2.748 1.00 0.00 C ATOM 342 C ARG A 55 0.586 -15.546 1.514 1.00 0.00 C ATOM 343 O ARG A 55 -0.205 -16.483 1.617 1.00 0.00 O ATOM 344 CB ARG A 55 1.813 -15.743 3.685 1.00 0.00 C ATOM 345 CG ARG A 55 2.857 -15.055 4.549 1.00 0.00 C ATOM 346 CD ARG A 55 4.215 -15.028 3.866 1.00 0.00 C ATOM 347 NE ARG A 55 5.312 -15.035 4.830 1.00 0.00 N ATOM 348 CZ ARG A 55 5.611 -16.078 5.596 1.00 0.00 C ATOM 349 NH1 ARG A 55 4.899 -17.193 5.512 1.00 0.00 N ATOM 350 NH2 ARG A 55 6.625 -16.007 6.450 1.00 0.00 N ATOM 0 H ARG A 55 -0.614 -14.811 4.001 1.00 0.00 H new ATOM 0 HA ARG A 55 1.749 -14.001 2.427 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.091 -16.242 4.331 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.298 -16.517 3.091 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.537 -14.036 4.766 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.939 -15.573 5.504 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.306 -15.891 3.206 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.288 -14.139 3.240 1.00 0.00 H new ATOM 0 HE ARG A 55 5.880 -14.192 4.920 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.119 -17.252 4.858 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.131 -17.992 6.102 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.175 -15.151 6.518 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.854 -16.809 7.038 1.00 0.00 H new ATOM 364 N GLY A 56 1.068 -15.132 0.346 1.00 0.00 N ATOM 365 CA GLY A 56 0.675 -15.781 -0.891 1.00 0.00 C ATOM 366 C GLY A 56 0.430 -14.791 -2.013 1.00 0.00 C ATOM 367 O GLY A 56 0.613 -15.113 -3.187 1.00 0.00 O ATOM 0 H GLY A 56 1.724 -14.359 0.235 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.453 -16.482 -1.193 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.230 -16.363 -0.720 1.00 0.00 H new ATOM 371 N LEU A 57 0.013 -13.582 -1.652 1.00 0.00 N ATOM 372 CA LEU A 57 -0.260 -12.541 -2.637 1.00 0.00 C ATOM 373 C LEU A 57 0.903 -11.559 -2.727 1.00 0.00 C ATOM 374 O LEU A 57 1.684 -11.418 -1.786 1.00 0.00 O ATOM 375 CB LEU A 57 -1.546 -11.795 -2.277 1.00 0.00 C ATOM 376 CG LEU A 57 -2.779 -12.665 -2.026 1.00 0.00 C ATOM 377 CD1 LEU A 57 -3.918 -11.827 -1.468 1.00 0.00 C ATOM 378 CD2 LEU A 57 -3.207 -13.365 -3.308 1.00 0.00 C ATOM 0 H LEU A 57 -0.143 -13.299 -0.685 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.385 -13.018 -3.609 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.359 -11.199 -1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.776 -11.098 -3.083 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.520 -13.426 -1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.787 -12.462 -1.296 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.608 -11.373 -0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.177 -11.044 -2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.085 -13.980 -3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.448 -12.620 -4.066 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.395 -13.997 -3.666 1.00 0.00 H new ATOM 390 N ASP A 58 1.011 -10.880 -3.864 1.00 0.00 N ATOM 391 CA ASP A 58 2.077 -9.908 -4.076 1.00 0.00 C ATOM 392 C ASP A 58 1.525 -8.620 -4.679 1.00 0.00 C ATOM 393 O ASP A 58 0.314 -8.467 -4.837 1.00 0.00 O ATOM 394 CB ASP A 58 3.155 -10.492 -4.990 1.00 0.00 C ATOM 395 CG ASP A 58 3.377 -11.973 -4.750 1.00 0.00 C ATOM 396 OD1 ASP A 58 3.771 -12.338 -3.623 1.00 0.00 O ATOM 397 OD2 ASP A 58 3.157 -12.766 -5.690 1.00 0.00 O ATOM 0 H ASP A 58 0.373 -10.985 -4.653 1.00 0.00 H new ATOM 0 HA ASP A 58 2.520 -9.675 -3.108 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.870 -10.334 -6.030 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.091 -9.957 -4.831 1.00 0.00 H new ATOM 402 N GLU A 59 2.422 -7.697 -5.012 1.00 0.00 N ATOM 403 CA GLU A 59 2.023 -6.421 -5.596 1.00 0.00 C ATOM 404 C GLU A 59 1.218 -6.636 -6.875 1.00 0.00 C ATOM 405 O GLU A 59 0.480 -5.753 -7.310 1.00 0.00 O ATOM 406 CB GLU A 59 3.255 -5.564 -5.894 1.00 0.00 C ATOM 407 CG GLU A 59 4.180 -5.392 -4.700 1.00 0.00 C ATOM 408 CD GLU A 59 5.624 -5.174 -5.107 1.00 0.00 C ATOM 409 OE1 GLU A 59 5.855 -4.608 -6.196 1.00 0.00 O ATOM 410 OE2 GLU A 59 6.523 -5.570 -4.336 1.00 0.00 O ATOM 0 H GLU A 59 3.428 -7.808 -4.888 1.00 0.00 H new ATOM 0 HA GLU A 59 1.393 -5.901 -4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.813 -6.017 -6.713 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.930 -4.581 -6.236 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.843 -4.545 -4.103 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.115 -6.275 -4.065 1.00 0.00 H new ATOM 417 N GLN A 60 1.368 -7.814 -7.470 1.00 0.00 N ATOM 418 CA GLN A 60 0.656 -8.144 -8.699 1.00 0.00 C ATOM 419 C GLN A 60 -0.775 -8.580 -8.400 1.00 0.00 C ATOM 420 O GLN A 60 -1.622 -8.618 -9.292 1.00 0.00 O ATOM 421 CB GLN A 60 1.390 -9.251 -9.457 1.00 0.00 C ATOM 422 CG GLN A 60 2.809 -8.878 -9.855 1.00 0.00 C ATOM 423 CD GLN A 60 3.350 -9.748 -10.973 1.00 0.00 C ATOM 424 OE1 GLN A 60 3.354 -10.975 -10.873 1.00 0.00 O ATOM 425 NE2 GLN A 60 3.809 -9.116 -12.046 1.00 0.00 N ATOM 0 H GLN A 60 1.976 -8.556 -7.122 1.00 0.00 H new ATOM 0 HA GLN A 60 0.621 -7.249 -9.320 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.419 -10.147 -8.837 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.824 -9.503 -10.354 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.832 -7.834 -10.169 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.461 -8.964 -8.985 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.786 -8.097 -12.086 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.184 -9.649 -12.830 1.00 0.00 H new ATOM 434 N ASP A 61 -1.036 -8.907 -7.139 1.00 0.00 N ATOM 435 CA ASP A 61 -2.365 -9.340 -6.721 1.00 0.00 C ATOM 436 C ASP A 61 -3.096 -8.219 -5.988 1.00 0.00 C ATOM 437 O ASP A 61 -4.322 -8.232 -5.877 1.00 0.00 O ATOM 438 CB ASP A 61 -2.264 -10.573 -5.823 1.00 0.00 C ATOM 439 CG ASP A 61 -2.292 -11.868 -6.611 1.00 0.00 C ATOM 440 OD1 ASP A 61 -3.401 -12.363 -6.898 1.00 0.00 O ATOM 441 OD2 ASP A 61 -1.204 -12.386 -6.940 1.00 0.00 O ATOM 0 H ASP A 61 -0.346 -8.881 -6.389 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.934 -9.597 -7.614 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.341 -10.523 -5.245 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.088 -10.568 -5.109 1.00 0.00 H new ATOM 446 N LEU A 62 -2.335 -7.252 -5.488 1.00 0.00 N ATOM 447 CA LEU A 62 -2.909 -6.123 -4.764 1.00 0.00 C ATOM 448 C LEU A 62 -3.247 -4.980 -5.716 1.00 0.00 C ATOM 449 O LEU A 62 -4.237 -4.273 -5.528 1.00 0.00 O ATOM 450 CB LEU A 62 -1.938 -5.635 -3.688 1.00 0.00 C ATOM 451 CG LEU A 62 -1.582 -6.645 -2.597 1.00 0.00 C ATOM 452 CD1 LEU A 62 -0.321 -6.216 -1.863 1.00 0.00 C ATOM 453 CD2 LEU A 62 -2.740 -6.807 -1.622 1.00 0.00 C ATOM 0 H LEU A 62 -1.319 -7.227 -5.571 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.830 -6.459 -4.288 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.016 -5.317 -4.176 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.367 -4.753 -3.213 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.393 -7.609 -3.069 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.083 -6.947 -1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.507 -6.152 -2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.482 -5.241 -1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.469 -7.530 -0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.961 -5.846 -1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.620 -7.161 -2.158 1.00 0.00 H new ATOM 465 N LYS A 63 -2.420 -4.806 -6.741 1.00 0.00 N ATOM 466 CA LYS A 63 -2.632 -3.752 -7.726 1.00 0.00 C ATOM 467 C LYS A 63 -4.077 -3.747 -8.214 1.00 0.00 C ATOM 468 O LYS A 63 -4.727 -2.704 -8.294 1.00 0.00 O ATOM 469 CB LYS A 63 -1.682 -3.935 -8.912 1.00 0.00 C ATOM 470 CG LYS A 63 -1.199 -2.626 -9.512 1.00 0.00 C ATOM 471 CD LYS A 63 -0.163 -2.860 -10.598 1.00 0.00 C ATOM 472 CE LYS A 63 -0.055 -1.664 -11.532 1.00 0.00 C ATOM 473 NZ LYS A 63 0.917 -0.654 -11.031 1.00 0.00 N ATOM 0 H LYS A 63 -1.596 -5.382 -6.911 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.425 -2.795 -7.248 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.819 -4.517 -8.589 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.187 -4.515 -9.685 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.046 -2.080 -9.927 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.771 -2.001 -8.728 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.807 -3.055 -10.141 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.429 -3.748 -11.171 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.251 -2.003 -12.522 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.035 -1.200 -11.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.961 0.145 -11.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.612 -0.311 -10.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.858 -1.089 -10.949 1.00 0.00 H new ATOM 487 N PRO A 64 -4.594 -4.938 -8.549 1.00 0.00 N ATOM 488 CA PRO A 64 -5.968 -5.097 -9.034 1.00 0.00 C ATOM 489 C PRO A 64 -6.979 -4.362 -8.161 1.00 0.00 C ATOM 490 O PRO A 64 -7.842 -3.641 -8.665 1.00 0.00 O ATOM 491 CB PRO A 64 -6.198 -6.609 -8.960 1.00 0.00 C ATOM 492 CG PRO A 64 -4.837 -7.205 -9.076 1.00 0.00 C ATOM 493 CD PRO A 64 -3.876 -6.223 -8.480 1.00 0.00 C ATOM 0 HA PRO A 64 -6.098 -4.680 -10.033 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.675 -6.891 -8.022 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.850 -6.950 -9.764 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.788 -8.159 -8.551 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.590 -7.402 -10.119 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.623 -6.485 -7.453 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -2.941 -6.189 -9.040 1.00 0.00 H new ATOM 501 N LEU A 65 -6.867 -4.546 -6.850 1.00 0.00 N ATOM 502 CA LEU A 65 -7.772 -3.899 -5.906 1.00 0.00 C ATOM 503 C LEU A 65 -7.586 -2.386 -5.924 1.00 0.00 C ATOM 504 O LEU A 65 -8.523 -1.638 -6.205 1.00 0.00 O ATOM 505 CB LEU A 65 -7.536 -4.437 -4.493 1.00 0.00 C ATOM 506 CG LEU A 65 -7.554 -5.958 -4.342 1.00 0.00 C ATOM 507 CD1 LEU A 65 -6.948 -6.369 -3.010 1.00 0.00 C ATOM 508 CD2 LEU A 65 -8.974 -6.490 -4.472 1.00 0.00 C ATOM 0 H LEU A 65 -6.158 -5.138 -6.416 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.795 -4.124 -6.208 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.572 -4.069 -4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.297 -4.018 -3.834 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.951 -6.391 -5.140 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.969 -7.455 -2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.917 -6.021 -2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.523 -5.926 -2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.968 -7.574 -4.362 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.600 -6.050 -3.696 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.373 -6.227 -5.452 1.00 0.00 H new ATOM 520 N PHE A 66 -6.370 -1.940 -5.624 1.00 0.00 N ATOM 521 CA PHE A 66 -6.061 -0.515 -5.607 1.00 0.00 C ATOM 522 C PHE A 66 -6.387 0.128 -6.952 1.00 0.00 C ATOM 523 O PHE A 66 -6.650 1.328 -7.029 1.00 0.00 O ATOM 524 CB PHE A 66 -4.585 -0.296 -5.269 1.00 0.00 C ATOM 525 CG PHE A 66 -4.179 -0.885 -3.948 1.00 0.00 C ATOM 526 CD1 PHE A 66 -4.891 -0.592 -2.796 1.00 0.00 C ATOM 527 CD2 PHE A 66 -3.086 -1.732 -3.859 1.00 0.00 C ATOM 528 CE1 PHE A 66 -4.519 -1.132 -1.579 1.00 0.00 C ATOM 529 CE2 PHE A 66 -2.710 -2.275 -2.645 1.00 0.00 C ATOM 530 CZ PHE A 66 -3.428 -1.976 -1.504 1.00 0.00 C ATOM 0 H PHE A 66 -5.583 -2.545 -5.389 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.676 -0.044 -4.840 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.971 -0.733 -6.057 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.377 0.774 -5.260 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.746 0.066 -2.849 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.522 -1.971 -4.748 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.081 -0.894 -0.688 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.855 -2.933 -2.589 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.137 -2.401 -0.555 1.00 0.00 H new ATOM 540 N GLU A 67 -6.367 -0.679 -8.008 1.00 0.00 N ATOM 541 CA GLU A 67 -6.659 -0.188 -9.350 1.00 0.00 C ATOM 542 C GLU A 67 -8.161 -0.003 -9.546 1.00 0.00 C ATOM 543 O GLU A 67 -8.611 0.403 -10.617 1.00 0.00 O ATOM 544 CB GLU A 67 -6.111 -1.155 -10.401 1.00 0.00 C ATOM 545 CG GLU A 67 -4.686 -0.846 -10.828 1.00 0.00 C ATOM 546 CD GLU A 67 -4.383 -1.318 -12.237 1.00 0.00 C ATOM 547 OE1 GLU A 67 -5.043 -2.275 -12.696 1.00 0.00 O ATOM 548 OE2 GLU A 67 -3.488 -0.733 -12.880 1.00 0.00 O ATOM 0 H GLU A 67 -6.152 -1.675 -7.960 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.173 0.780 -9.469 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.151 -2.170 -10.005 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.758 -1.130 -11.278 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.517 0.229 -10.765 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.992 -1.319 -10.133 1.00 0.00 H new ATOM 555 N GLU A 68 -8.930 -0.305 -8.505 1.00 0.00 N ATOM 556 CA GLU A 68 -10.381 -0.173 -8.564 1.00 0.00 C ATOM 557 C GLU A 68 -10.814 1.242 -8.191 1.00 0.00 C ATOM 558 O GLU A 68 -11.917 1.674 -8.526 1.00 0.00 O ATOM 559 CB GLU A 68 -11.045 -1.185 -7.629 1.00 0.00 C ATOM 560 CG GLU A 68 -10.846 -2.630 -8.055 1.00 0.00 C ATOM 561 CD GLU A 68 -11.594 -3.608 -7.169 1.00 0.00 C ATOM 562 OE1 GLU A 68 -11.392 -3.566 -5.937 1.00 0.00 O ATOM 563 OE2 GLU A 68 -12.380 -4.415 -7.707 1.00 0.00 O ATOM 0 H GLU A 68 -8.573 -0.643 -7.611 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.698 -0.373 -9.588 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.646 -1.054 -6.623 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.113 -0.974 -7.579 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.180 -2.750 -9.086 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.782 -2.868 -8.035 1.00 0.00 H new ATOM 570 N PHE A 69 -9.938 1.958 -7.494 1.00 0.00 N ATOM 571 CA PHE A 69 -10.230 3.324 -7.074 1.00 0.00 C ATOM 572 C PHE A 69 -9.517 4.333 -7.969 1.00 0.00 C ATOM 573 O PHE A 69 -10.131 5.269 -8.479 1.00 0.00 O ATOM 574 CB PHE A 69 -9.811 3.532 -5.617 1.00 0.00 C ATOM 575 CG PHE A 69 -10.501 2.606 -4.656 1.00 0.00 C ATOM 576 CD1 PHE A 69 -9.984 1.347 -4.395 1.00 0.00 C ATOM 577 CD2 PHE A 69 -11.666 2.994 -4.015 1.00 0.00 C ATOM 578 CE1 PHE A 69 -10.617 0.492 -3.512 1.00 0.00 C ATOM 579 CE2 PHE A 69 -12.302 2.144 -3.130 1.00 0.00 C ATOM 580 CZ PHE A 69 -11.777 0.892 -2.879 1.00 0.00 C ATOM 0 H PHE A 69 -9.021 1.616 -7.208 1.00 0.00 H new ATOM 0 HA PHE A 69 -11.305 3.483 -7.163 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.733 3.392 -5.534 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.021 4.562 -5.330 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.076 1.030 -4.887 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -12.082 3.972 -4.209 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -10.205 -0.487 -3.318 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -13.209 2.459 -2.635 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.273 0.226 -2.188 1.00 0.00 H new ATOM 590 N GLY A 70 -8.215 4.134 -8.155 1.00 0.00 N ATOM 591 CA GLY A 70 -7.439 5.034 -8.987 1.00 0.00 C ATOM 592 C GLY A 70 -6.143 4.410 -9.464 1.00 0.00 C ATOM 593 O GLY A 70 -5.749 3.344 -8.991 1.00 0.00 O ATOM 0 H GLY A 70 -7.685 3.366 -7.744 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.035 5.331 -9.850 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.217 5.942 -8.426 1.00 0.00 H new ATOM 597 N ARG A 71 -5.478 5.075 -10.403 1.00 0.00 N ATOM 598 CA ARG A 71 -4.220 4.577 -10.946 1.00 0.00 C ATOM 599 C ARG A 71 -3.095 4.712 -9.923 1.00 0.00 C ATOM 600 O ARG A 71 -2.862 5.794 -9.383 1.00 0.00 O ATOM 601 CB ARG A 71 -3.855 5.335 -12.224 1.00 0.00 C ATOM 602 CG ARG A 71 -2.732 4.687 -13.017 1.00 0.00 C ATOM 603 CD ARG A 71 -2.603 5.301 -14.402 1.00 0.00 C ATOM 604 NE ARG A 71 -2.050 6.652 -14.353 1.00 0.00 N ATOM 605 CZ ARG A 71 -2.138 7.520 -15.355 1.00 0.00 C ATOM 606 NH1 ARG A 71 -2.754 7.179 -16.478 1.00 0.00 N ATOM 607 NH2 ARG A 71 -1.609 8.731 -15.234 1.00 0.00 N ATOM 0 H ARG A 71 -5.789 5.960 -10.803 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.349 3.521 -11.183 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.739 5.410 -12.857 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.564 6.352 -11.962 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.791 4.801 -12.478 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.919 3.617 -13.108 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.964 4.670 -15.020 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -3.583 5.327 -14.879 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.570 6.945 -13.502 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -3.161 6.249 -16.574 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.821 7.847 -17.246 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.134 8.996 -14.371 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.677 9.397 -16.004 1.00 0.00 H new ATOM 621 N ILE A 72 -2.403 3.608 -9.663 1.00 0.00 N ATOM 622 CA ILE A 72 -1.304 3.604 -8.706 1.00 0.00 C ATOM 623 C ILE A 72 -0.092 4.348 -9.258 1.00 0.00 C ATOM 624 O ILE A 72 0.025 4.555 -10.466 1.00 0.00 O ATOM 625 CB ILE A 72 -0.886 2.169 -8.335 1.00 0.00 C ATOM 626 CG1 ILE A 72 -2.080 1.397 -7.771 1.00 0.00 C ATOM 627 CG2 ILE A 72 0.258 2.193 -7.332 1.00 0.00 C ATOM 628 CD1 ILE A 72 -1.987 -0.098 -7.982 1.00 0.00 C ATOM 0 H ILE A 72 -2.584 2.705 -10.102 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.663 4.112 -7.811 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.542 1.662 -9.236 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.163 1.601 -6.703 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.994 1.765 -8.237 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.542 1.171 -7.080 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.113 2.710 -7.767 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.060 2.715 -6.429 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.867 -0.581 -7.557 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.935 -0.312 -9.049 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.091 -0.480 -7.492 1.00 0.00 H new ATOM 640 N TYR A 73 0.807 4.746 -8.365 1.00 0.00 N ATOM 641 CA TYR A 73 2.011 5.467 -8.763 1.00 0.00 C ATOM 642 C TYR A 73 3.261 4.644 -8.469 1.00 0.00 C ATOM 643 O TYR A 73 4.191 4.600 -9.275 1.00 0.00 O ATOM 644 CB TYR A 73 2.089 6.811 -8.035 1.00 0.00 C ATOM 645 CG TYR A 73 3.263 7.663 -8.462 1.00 0.00 C ATOM 646 CD1 TYR A 73 4.549 7.379 -8.019 1.00 0.00 C ATOM 647 CD2 TYR A 73 3.086 8.752 -9.306 1.00 0.00 C ATOM 648 CE1 TYR A 73 5.625 8.155 -8.405 1.00 0.00 C ATOM 649 CE2 TYR A 73 4.156 9.533 -9.698 1.00 0.00 C ATOM 650 CZ TYR A 73 5.423 9.231 -9.245 1.00 0.00 C ATOM 651 OH TYR A 73 6.491 10.007 -9.633 1.00 0.00 O ATOM 0 H TYR A 73 0.725 4.582 -7.362 1.00 0.00 H new ATOM 0 HA TYR A 73 1.959 5.645 -9.837 1.00 0.00 H new ATOM 0 HB2 TYR A 73 1.166 7.364 -8.211 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.153 6.630 -6.962 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.710 6.537 -7.362 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.095 8.992 -9.662 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.618 7.921 -8.051 1.00 0.00 H new ATOM 0 HE2 TYR A 73 4.001 10.376 -10.356 1.00 0.00 H new ATOM 0 HH TYR A 73 6.178 10.722 -10.225 1.00 0.00 H new ATOM 661 N GLU A 74 3.275 3.993 -7.310 1.00 0.00 N ATOM 662 CA GLU A 74 4.411 3.171 -6.910 1.00 0.00 C ATOM 663 C GLU A 74 4.026 2.228 -5.773 1.00 0.00 C ATOM 664 O GLU A 74 3.661 2.669 -4.683 1.00 0.00 O ATOM 665 CB GLU A 74 5.582 4.056 -6.480 1.00 0.00 C ATOM 666 CG GLU A 74 6.888 3.297 -6.310 1.00 0.00 C ATOM 667 CD GLU A 74 7.858 4.004 -5.383 1.00 0.00 C ATOM 668 OE1 GLU A 74 7.444 4.379 -4.266 1.00 0.00 O ATOM 669 OE2 GLU A 74 9.029 4.185 -5.776 1.00 0.00 O ATOM 0 H GLU A 74 2.513 4.019 -6.632 1.00 0.00 H new ATOM 0 HA GLU A 74 4.714 2.572 -7.768 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.723 4.843 -7.221 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.331 4.545 -5.539 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.677 2.302 -5.918 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.356 3.163 -7.285 1.00 0.00 H new ATOM 676 N LEU A 75 4.111 0.929 -6.036 1.00 0.00 N ATOM 677 CA LEU A 75 3.772 -0.078 -5.036 1.00 0.00 C ATOM 678 C LEU A 75 4.999 -0.898 -4.652 1.00 0.00 C ATOM 679 O LEU A 75 5.780 -1.309 -5.511 1.00 0.00 O ATOM 680 CB LEU A 75 2.673 -1.001 -5.566 1.00 0.00 C ATOM 681 CG LEU A 75 2.030 -1.935 -4.540 1.00 0.00 C ATOM 682 CD1 LEU A 75 1.590 -1.156 -3.310 1.00 0.00 C ATOM 683 CD2 LEU A 75 0.849 -2.672 -5.156 1.00 0.00 C ATOM 0 H LEU A 75 4.412 0.548 -6.933 1.00 0.00 H new ATOM 0 HA LEU A 75 3.409 0.436 -4.146 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.890 -0.385 -6.008 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.092 -1.608 -6.369 1.00 0.00 H new ATOM 0 HG LEU A 75 2.773 -2.671 -4.232 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.135 -1.837 -2.591 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.456 -0.674 -2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.864 -0.397 -3.601 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.404 -3.332 -4.412 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.105 -1.950 -5.492 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.192 -3.262 -6.006 1.00 0.00 H new ATOM 695 N THR A 76 5.163 -1.135 -3.354 1.00 0.00 N ATOM 696 CA THR A 76 6.294 -1.907 -2.855 1.00 0.00 C ATOM 697 C THR A 76 5.928 -2.656 -1.579 1.00 0.00 C ATOM 698 O THR A 76 5.271 -2.110 -0.692 1.00 0.00 O ATOM 699 CB THR A 76 7.511 -1.005 -2.576 1.00 0.00 C ATOM 700 OG1 THR A 76 8.095 -0.575 -3.810 1.00 0.00 O ATOM 701 CG2 THR A 76 8.551 -1.741 -1.745 1.00 0.00 C ATOM 0 H THR A 76 4.526 -0.803 -2.629 1.00 0.00 H new ATOM 0 HA THR A 76 6.554 -2.625 -3.633 1.00 0.00 H new ATOM 0 HB THR A 76 7.170 -0.135 -2.014 1.00 0.00 H new ATOM 0 HG1 THR A 76 7.531 -0.865 -4.557 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.401 -1.084 -1.561 1.00 0.00 H new ATOM 0 HG22 THR A 76 8.111 -2.041 -0.794 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.887 -2.627 -2.284 1.00 0.00 H new ATOM 709 N VAL A 77 6.358 -3.911 -1.491 1.00 0.00 N ATOM 710 CA VAL A 77 6.076 -4.735 -0.321 1.00 0.00 C ATOM 711 C VAL A 77 7.281 -4.796 0.611 1.00 0.00 C ATOM 712 O VAL A 77 8.422 -4.915 0.162 1.00 0.00 O ATOM 713 CB VAL A 77 5.682 -6.168 -0.726 1.00 0.00 C ATOM 714 CG1 VAL A 77 5.484 -7.036 0.507 1.00 0.00 C ATOM 715 CG2 VAL A 77 4.425 -6.152 -1.584 1.00 0.00 C ATOM 0 H VAL A 77 6.903 -4.379 -2.215 1.00 0.00 H new ATOM 0 HA VAL A 77 5.240 -4.269 0.200 1.00 0.00 H new ATOM 0 HB VAL A 77 6.492 -6.596 -1.316 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.206 -8.045 0.201 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.411 -7.073 1.079 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.693 -6.614 1.126 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.161 -7.172 -1.861 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.606 -5.705 -1.021 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.607 -5.567 -2.485 1.00 0.00 H new ATOM 725 N LEU A 78 7.021 -4.715 1.911 1.00 0.00 N ATOM 726 CA LEU A 78 8.085 -4.762 2.908 1.00 0.00 C ATOM 727 C LEU A 78 8.317 -6.190 3.391 1.00 0.00 C ATOM 728 O LEU A 78 7.372 -6.961 3.562 1.00 0.00 O ATOM 729 CB LEU A 78 7.738 -3.861 4.095 1.00 0.00 C ATOM 730 CG LEU A 78 7.738 -2.357 3.818 1.00 0.00 C ATOM 731 CD1 LEU A 78 6.845 -1.631 4.812 1.00 0.00 C ATOM 732 CD2 LEU A 78 9.156 -1.805 3.870 1.00 0.00 C ATOM 0 H LEU A 78 6.083 -4.616 2.299 1.00 0.00 H new ATOM 0 HA LEU A 78 9.002 -4.402 2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.751 -4.142 4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 78 8.447 -4.062 4.898 1.00 0.00 H new ATOM 0 HG LEU A 78 7.341 -2.192 2.816 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.858 -0.562 4.599 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.825 -2.006 4.726 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.211 -1.804 5.824 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.137 -0.734 3.671 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.580 -1.983 4.859 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.768 -2.303 3.118 1.00 0.00 H new ATOM 744 N LYS A 79 9.580 -6.537 3.611 1.00 0.00 N ATOM 745 CA LYS A 79 9.938 -7.871 4.077 1.00 0.00 C ATOM 746 C LYS A 79 11.023 -7.801 5.147 1.00 0.00 C ATOM 747 O LYS A 79 11.736 -6.803 5.257 1.00 0.00 O ATOM 748 CB LYS A 79 10.416 -8.732 2.906 1.00 0.00 C ATOM 749 CG LYS A 79 9.382 -8.890 1.805 1.00 0.00 C ATOM 750 CD LYS A 79 9.592 -10.176 1.024 1.00 0.00 C ATOM 751 CE LYS A 79 8.772 -10.190 -0.257 1.00 0.00 C ATOM 752 NZ LYS A 79 9.364 -9.313 -1.305 1.00 0.00 N ATOM 0 H LYS A 79 10.374 -5.912 3.474 1.00 0.00 H new ATOM 0 HA LYS A 79 9.050 -8.326 4.515 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.318 -8.289 2.485 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.690 -9.719 3.280 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.383 -8.886 2.240 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.438 -8.038 1.127 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.649 -10.288 0.782 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.315 -11.029 1.644 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.704 -11.211 -0.634 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.755 -9.862 -0.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.868 -9.465 -2.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.267 -8.317 -1.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.372 -9.543 -1.422 1.00 0.00 H new ATOM 766 N ASP A 80 11.145 -8.866 5.931 1.00 0.00 N ATOM 767 CA ASP A 80 12.145 -8.926 6.990 1.00 0.00 C ATOM 768 C ASP A 80 13.549 -8.742 6.422 1.00 0.00 C ATOM 769 O ASP A 80 13.725 -8.581 5.214 1.00 0.00 O ATOM 770 CB ASP A 80 12.053 -10.260 7.733 1.00 0.00 C ATOM 771 CG ASP A 80 11.031 -10.229 8.853 1.00 0.00 C ATOM 772 OD1 ASP A 80 11.152 -9.362 9.743 1.00 0.00 O ATOM 773 OD2 ASP A 80 10.110 -11.073 8.839 1.00 0.00 O ATOM 0 H ASP A 80 10.563 -9.700 5.853 1.00 0.00 H new ATOM 0 HA ASP A 80 11.946 -8.115 7.690 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.791 -11.048 7.027 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.031 -10.512 8.144 1.00 0.00 H new ATOM 778 N ARG A 81 14.545 -8.766 7.302 1.00 0.00 N ATOM 779 CA ARG A 81 15.934 -8.599 6.888 1.00 0.00 C ATOM 780 C ARG A 81 16.737 -9.868 7.159 1.00 0.00 C ATOM 781 O ARG A 81 17.368 -10.420 6.257 1.00 0.00 O ATOM 782 CB ARG A 81 16.568 -7.415 7.620 1.00 0.00 C ATOM 783 CG ARG A 81 16.101 -6.062 7.109 1.00 0.00 C ATOM 784 CD ARG A 81 17.027 -4.945 7.564 1.00 0.00 C ATOM 785 NE ARG A 81 16.428 -3.627 7.373 1.00 0.00 N ATOM 786 CZ ARG A 81 16.795 -2.548 8.056 1.00 0.00 C ATOM 787 NH1 ARG A 81 17.753 -2.630 8.969 1.00 0.00 N ATOM 788 NH2 ARG A 81 16.202 -1.383 7.826 1.00 0.00 N ATOM 0 H ARG A 81 14.417 -8.899 8.305 1.00 0.00 H new ATOM 0 HA ARG A 81 15.947 -8.403 5.816 1.00 0.00 H new ATOM 0 HB2 ARG A 81 16.339 -7.491 8.683 1.00 0.00 H new ATOM 0 HB3 ARG A 81 17.652 -7.476 7.522 1.00 0.00 H new ATOM 0 HG2 ARG A 81 16.057 -6.079 6.020 1.00 0.00 H new ATOM 0 HG3 ARG A 81 15.090 -5.866 7.466 1.00 0.00 H new ATOM 0 HD2 ARG A 81 17.272 -5.083 8.617 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.964 -5.002 7.009 1.00 0.00 H new ATOM 0 HE ARG A 81 15.688 -3.529 6.678 1.00 0.00 H new ATOM 0 HH11 ARG A 81 18.211 -3.524 9.149 1.00 0.00 H new ATOM 0 HH12 ARG A 81 18.032 -1.800 9.491 1.00 0.00 H new ATOM 0 HH21 ARG A 81 15.464 -1.316 7.125 1.00 0.00 H new ATOM 0 HH22 ARG A 81 16.484 -0.555 8.351 1.00 0.00 H new ATOM 802 N LEU A 82 16.710 -10.324 8.406 1.00 0.00 N ATOM 803 CA LEU A 82 17.437 -11.528 8.796 1.00 0.00 C ATOM 804 C LEU A 82 16.917 -12.747 8.041 1.00 0.00 C ATOM 805 O LEU A 82 17.692 -13.600 7.607 1.00 0.00 O ATOM 806 CB LEU A 82 17.311 -11.756 10.304 1.00 0.00 C ATOM 807 CG LEU A 82 18.152 -10.840 11.194 1.00 0.00 C ATOM 808 CD1 LEU A 82 17.682 -10.921 12.638 1.00 0.00 C ATOM 809 CD2 LEU A 82 19.626 -11.202 11.090 1.00 0.00 C ATOM 0 H LEU A 82 16.193 -9.879 9.164 1.00 0.00 H new ATOM 0 HA LEU A 82 18.488 -11.387 8.542 1.00 0.00 H new ATOM 0 HB2 LEU A 82 16.264 -11.639 10.583 1.00 0.00 H new ATOM 0 HB3 LEU A 82 17.584 -12.789 10.519 1.00 0.00 H new ATOM 0 HG LEU A 82 18.025 -9.814 10.849 1.00 0.00 H new ATOM 0 HD11 LEU A 82 18.292 -10.263 13.257 1.00 0.00 H new ATOM 0 HD12 LEU A 82 16.638 -10.612 12.699 1.00 0.00 H new ATOM 0 HD13 LEU A 82 17.778 -11.946 12.995 1.00 0.00 H new ATOM 0 HD21 LEU A 82 20.209 -10.540 11.730 1.00 0.00 H new ATOM 0 HD22 LEU A 82 19.770 -12.234 11.408 1.00 0.00 H new ATOM 0 HD23 LEU A 82 19.956 -11.091 10.057 1.00 0.00 H new ATOM 821 N THR A 83 15.599 -12.822 7.884 1.00 0.00 N ATOM 822 CA THR A 83 14.975 -13.935 7.180 1.00 0.00 C ATOM 823 C THR A 83 14.534 -13.522 5.780 1.00 0.00 C ATOM 824 O THR A 83 14.728 -14.260 4.815 1.00 0.00 O ATOM 825 CB THR A 83 13.756 -14.476 7.951 1.00 0.00 C ATOM 826 OG1 THR A 83 12.763 -13.452 8.078 1.00 0.00 O ATOM 827 CG2 THR A 83 14.164 -14.967 9.332 1.00 0.00 C ATOM 0 H THR A 83 14.943 -12.124 8.235 1.00 0.00 H new ATOM 0 HA THR A 83 15.726 -14.722 7.105 1.00 0.00 H new ATOM 0 HB THR A 83 13.343 -15.315 7.391 1.00 0.00 H new ATOM 0 HG1 THR A 83 11.991 -13.804 8.568 1.00 0.00 H new ATOM 0 HG21 THR A 83 13.287 -15.344 9.858 1.00 0.00 H new ATOM 0 HG22 THR A 83 14.899 -15.766 9.232 1.00 0.00 H new ATOM 0 HG23 THR A 83 14.599 -14.143 9.897 1.00 0.00 H new ATOM 835 N GLY A 84 13.940 -12.337 5.677 1.00 0.00 N ATOM 836 CA GLY A 84 13.481 -11.847 4.390 1.00 0.00 C ATOM 837 C GLY A 84 12.124 -12.403 4.008 1.00 0.00 C ATOM 838 O GLY A 84 11.814 -12.547 2.825 1.00 0.00 O ATOM 0 H GLY A 84 13.768 -11.708 6.461 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.430 -10.759 4.416 1.00 0.00 H new ATOM 0 HA3 GLY A 84 14.208 -12.113 3.623 1.00 0.00 H new ATOM 842 N LEU A 85 11.312 -12.719 5.011 1.00 0.00 N ATOM 843 CA LEU A 85 9.980 -13.265 4.775 1.00 0.00 C ATOM 844 C LEU A 85 8.917 -12.177 4.893 1.00 0.00 C ATOM 845 O LEU A 85 8.924 -11.387 5.837 1.00 0.00 O ATOM 846 CB LEU A 85 9.686 -14.391 5.767 1.00 0.00 C ATOM 847 CG LEU A 85 10.726 -15.509 5.842 1.00 0.00 C ATOM 848 CD1 LEU A 85 10.485 -16.382 7.064 1.00 0.00 C ATOM 849 CD2 LEU A 85 10.701 -16.347 4.572 1.00 0.00 C ATOM 0 H LEU A 85 11.553 -12.606 5.996 1.00 0.00 H new ATOM 0 HA LEU A 85 9.953 -13.666 3.762 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.579 -13.954 6.760 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.724 -14.834 5.508 1.00 0.00 H new ATOM 0 HG LEU A 85 11.713 -15.055 5.935 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.235 -17.172 7.100 1.00 0.00 H new ATOM 0 HD12 LEU A 85 10.555 -15.773 7.966 1.00 0.00 H new ATOM 0 HD13 LEU A 85 9.492 -16.827 7.003 1.00 0.00 H new ATOM 0 HD21 LEU A 85 11.448 -17.138 4.643 1.00 0.00 H new ATOM 0 HD22 LEU A 85 9.713 -16.791 4.448 1.00 0.00 H new ATOM 0 HD23 LEU A 85 10.924 -15.713 3.714 1.00 0.00 H new ATOM 861 N HIS A 86 8.003 -12.143 3.928 1.00 0.00 N ATOM 862 CA HIS A 86 6.932 -11.154 3.925 1.00 0.00 C ATOM 863 C HIS A 86 6.462 -10.857 5.346 1.00 0.00 C ATOM 864 O HIS A 86 5.829 -11.694 5.990 1.00 0.00 O ATOM 865 CB HIS A 86 5.757 -11.647 3.080 1.00 0.00 C ATOM 866 CG HIS A 86 4.784 -10.566 2.718 1.00 0.00 C ATOM 867 ND1 HIS A 86 4.132 -9.795 3.657 1.00 0.00 N ATOM 868 CD2 HIS A 86 4.356 -10.129 1.511 1.00 0.00 C ATOM 869 CE1 HIS A 86 3.344 -8.931 3.043 1.00 0.00 C ATOM 870 NE2 HIS A 86 3.461 -9.113 1.740 1.00 0.00 N ATOM 0 H HIS A 86 7.983 -12.789 3.139 1.00 0.00 H new ATOM 0 HA HIS A 86 7.322 -10.234 3.490 1.00 0.00 H new ATOM 0 HB2 HIS A 86 6.142 -12.099 2.166 1.00 0.00 H new ATOM 0 HB3 HIS A 86 5.231 -12.430 3.626 1.00 0.00 H new ATOM 0 HD2 HIS A 86 4.661 -10.509 0.547 1.00 0.00 H new ATOM 0 HE1 HIS A 86 2.711 -8.200 3.525 1.00 0.00 H new ATOM 0 HE2 HIS A 86 2.967 -8.585 1.021 1.00 0.00 H new ATOM 879 N LYS A 87 6.778 -9.660 5.830 1.00 0.00 N ATOM 880 CA LYS A 87 6.388 -9.251 7.174 1.00 0.00 C ATOM 881 C LYS A 87 4.872 -9.138 7.291 1.00 0.00 C ATOM 882 O LYS A 87 4.289 -9.502 8.312 1.00 0.00 O ATOM 883 CB LYS A 87 7.039 -7.913 7.531 1.00 0.00 C ATOM 884 CG LYS A 87 8.538 -8.006 7.756 1.00 0.00 C ATOM 885 CD LYS A 87 9.231 -6.687 7.457 1.00 0.00 C ATOM 886 CE LYS A 87 9.192 -5.752 8.656 1.00 0.00 C ATOM 887 NZ LYS A 87 10.374 -5.938 9.543 1.00 0.00 N ATOM 0 H LYS A 87 7.303 -8.956 5.311 1.00 0.00 H new ATOM 0 HA LYS A 87 6.732 -10.014 7.873 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.844 -7.199 6.731 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.569 -7.519 8.432 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.734 -8.295 8.788 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.954 -8.788 7.121 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.267 -6.875 7.175 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.750 -6.207 6.604 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.157 -4.719 8.310 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.279 -5.929 9.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.310 -5.283 10.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.394 -6.917 9.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.244 -5.744 9.007 1.00 0.00 H new ATOM 901 N GLY A 88 4.237 -8.633 6.237 1.00 0.00 N ATOM 902 CA GLY A 88 2.794 -8.482 6.242 1.00 0.00 C ATOM 903 C GLY A 88 2.360 -7.042 6.053 1.00 0.00 C ATOM 904 O GLY A 88 1.388 -6.595 6.663 1.00 0.00 O ATOM 0 H GLY A 88 4.697 -8.326 5.380 1.00 0.00 H new ATOM 0 HA2 GLY A 88 2.365 -9.094 5.449 1.00 0.00 H new ATOM 0 HA3 GLY A 88 2.396 -8.857 7.185 1.00 0.00 H new ATOM 908 N CYS A 89 3.083 -6.315 5.209 1.00 0.00 N ATOM 909 CA CYS A 89 2.768 -4.915 4.943 1.00 0.00 C ATOM 910 C CYS A 89 3.338 -4.476 3.598 1.00 0.00 C ATOM 911 O CYS A 89 4.212 -5.137 3.037 1.00 0.00 O ATOM 912 CB CYS A 89 3.320 -4.027 6.059 1.00 0.00 C ATOM 913 SG CYS A 89 4.972 -4.493 6.625 1.00 0.00 S ATOM 0 H CYS A 89 3.891 -6.671 4.697 1.00 0.00 H new ATOM 0 HA CYS A 89 1.683 -4.811 4.908 1.00 0.00 H new ATOM 0 HB2 CYS A 89 3.346 -2.995 5.708 1.00 0.00 H new ATOM 0 HB3 CYS A 89 2.635 -4.059 6.906 1.00 0.00 H new ATOM 0 HG CYS A 89 5.353 -3.682 7.567 1.00 0.00 H new ATOM 919 N ALA A 90 2.836 -3.357 3.086 1.00 0.00 N ATOM 920 CA ALA A 90 3.295 -2.830 1.807 1.00 0.00 C ATOM 921 C ALA A 90 2.975 -1.344 1.679 1.00 0.00 C ATOM 922 O ALA A 90 1.954 -0.873 2.181 1.00 0.00 O ATOM 923 CB ALA A 90 2.667 -3.607 0.659 1.00 0.00 C ATOM 0 H ALA A 90 2.112 -2.798 3.537 1.00 0.00 H new ATOM 0 HA ALA A 90 4.378 -2.948 1.762 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.019 -3.202 -0.290 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.950 -4.657 0.733 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.582 -3.519 0.711 1.00 0.00 H new ATOM 929 N PHE A 91 3.855 -0.610 1.006 1.00 0.00 N ATOM 930 CA PHE A 91 3.667 0.824 0.815 1.00 0.00 C ATOM 931 C PHE A 91 3.030 1.112 -0.542 1.00 0.00 C ATOM 932 O PHE A 91 3.638 0.878 -1.588 1.00 0.00 O ATOM 933 CB PHE A 91 5.006 1.555 0.928 1.00 0.00 C ATOM 934 CG PHE A 91 5.425 1.821 2.346 1.00 0.00 C ATOM 935 CD1 PHE A 91 4.557 2.433 3.236 1.00 0.00 C ATOM 936 CD2 PHE A 91 6.688 1.460 2.788 1.00 0.00 C ATOM 937 CE1 PHE A 91 4.940 2.680 4.540 1.00 0.00 C ATOM 938 CE2 PHE A 91 7.077 1.705 4.092 1.00 0.00 C ATOM 939 CZ PHE A 91 6.201 2.314 4.969 1.00 0.00 C ATOM 0 H PHE A 91 4.705 -0.984 0.584 1.00 0.00 H new ATOM 0 HA PHE A 91 2.997 1.185 1.596 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.777 0.963 0.435 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.940 2.502 0.393 1.00 0.00 H new ATOM 0 HD1 PHE A 91 3.569 2.720 2.906 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.376 0.982 2.106 1.00 0.00 H new ATOM 0 HE1 PHE A 91 4.254 3.159 5.223 1.00 0.00 H new ATOM 0 HE2 PHE A 91 8.064 1.421 4.424 1.00 0.00 H new ATOM 0 HZ PHE A 91 6.501 2.504 5.989 1.00 0.00 H new ATOM 949 N LEU A 92 1.803 1.621 -0.516 1.00 0.00 N ATOM 950 CA LEU A 92 1.083 1.941 -1.744 1.00 0.00 C ATOM 951 C LEU A 92 1.028 3.449 -1.965 1.00 0.00 C ATOM 952 O LEU A 92 0.620 4.204 -1.081 1.00 0.00 O ATOM 953 CB LEU A 92 -0.336 1.371 -1.689 1.00 0.00 C ATOM 954 CG LEU A 92 -1.324 1.931 -2.713 1.00 0.00 C ATOM 955 CD1 LEU A 92 -1.066 1.333 -4.087 1.00 0.00 C ATOM 956 CD2 LEU A 92 -2.756 1.663 -2.273 1.00 0.00 C ATOM 0 H LEU A 92 1.286 1.821 0.341 1.00 0.00 H new ATOM 0 HA LEU A 92 1.618 1.489 -2.579 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.278 0.291 -1.823 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.738 1.547 -0.691 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.180 3.010 -2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.779 1.744 -4.802 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.052 1.576 -4.405 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.182 0.250 -4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.446 2.068 -3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.913 0.588 -2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.936 2.140 -1.310 1.00 0.00 H new ATOM 968 N THR A 93 1.440 3.884 -3.152 1.00 0.00 N ATOM 969 CA THR A 93 1.437 5.301 -3.490 1.00 0.00 C ATOM 970 C THR A 93 0.458 5.595 -4.621 1.00 0.00 C ATOM 971 O THR A 93 0.500 4.955 -5.673 1.00 0.00 O ATOM 972 CB THR A 93 2.841 5.783 -3.903 1.00 0.00 C ATOM 973 OG1 THR A 93 3.793 5.444 -2.890 1.00 0.00 O ATOM 974 CG2 THR A 93 2.851 7.287 -4.134 1.00 0.00 C ATOM 0 H THR A 93 1.780 3.274 -3.895 1.00 0.00 H new ATOM 0 HA THR A 93 1.125 5.839 -2.595 1.00 0.00 H new ATOM 0 HB THR A 93 3.112 5.287 -4.835 1.00 0.00 H new ATOM 0 HG1 THR A 93 4.683 5.752 -3.161 1.00 0.00 H new ATOM 0 HG21 THR A 93 3.853 7.604 -4.425 1.00 0.00 H new ATOM 0 HG22 THR A 93 2.147 7.538 -4.927 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.561 7.798 -3.216 1.00 0.00 H new ATOM 982 N TYR A 94 -0.421 6.565 -4.400 1.00 0.00 N ATOM 983 CA TYR A 94 -1.412 6.942 -5.400 1.00 0.00 C ATOM 984 C TYR A 94 -0.987 8.208 -6.138 1.00 0.00 C ATOM 985 O TYR A 94 -0.282 9.054 -5.587 1.00 0.00 O ATOM 986 CB TYR A 94 -2.776 7.156 -4.742 1.00 0.00 C ATOM 987 CG TYR A 94 -3.622 5.904 -4.682 1.00 0.00 C ATOM 988 CD1 TYR A 94 -3.916 5.184 -5.833 1.00 0.00 C ATOM 989 CD2 TYR A 94 -4.128 5.441 -3.473 1.00 0.00 C ATOM 990 CE1 TYR A 94 -4.689 4.040 -5.783 1.00 0.00 C ATOM 991 CE2 TYR A 94 -4.901 4.298 -3.413 1.00 0.00 C ATOM 992 CZ TYR A 94 -5.178 3.601 -4.571 1.00 0.00 C ATOM 993 OH TYR A 94 -5.949 2.462 -4.515 1.00 0.00 O ATOM 0 H TYR A 94 -0.468 7.105 -3.536 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.488 6.130 -6.123 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.627 7.533 -3.730 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.319 7.925 -5.292 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.534 5.525 -6.784 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.913 5.984 -2.565 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.909 3.493 -6.688 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.286 3.952 -2.465 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.178 2.177 -5.424 1.00 0.00 H new ATOM 1003 N CYS A 95 -1.421 8.330 -7.388 1.00 0.00 N ATOM 1004 CA CYS A 95 -1.087 9.492 -8.203 1.00 0.00 C ATOM 1005 C CYS A 95 -1.708 10.759 -7.625 1.00 0.00 C ATOM 1006 O CYS A 95 -1.041 11.784 -7.492 1.00 0.00 O ATOM 1007 CB CYS A 95 -1.563 9.286 -9.642 1.00 0.00 C ATOM 1008 SG CYS A 95 -0.615 8.054 -10.565 1.00 0.00 S ATOM 0 H CYS A 95 -2.005 7.638 -7.859 1.00 0.00 H new ATOM 0 HA CYS A 95 -0.003 9.607 -8.200 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -2.611 8.986 -9.627 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -1.512 10.238 -10.170 1.00 0.00 H new ATOM 0 HG CYS A 95 -1.140 6.878 -10.385 1.00 0.00 H new ATOM 1014 N ALA A 96 -2.990 10.681 -7.285 1.00 0.00 N ATOM 1015 CA ALA A 96 -3.702 11.821 -6.721 1.00 0.00 C ATOM 1016 C ALA A 96 -3.970 11.620 -5.234 1.00 0.00 C ATOM 1017 O ALA A 96 -3.932 10.496 -4.733 1.00 0.00 O ATOM 1018 CB ALA A 96 -5.007 12.051 -7.469 1.00 0.00 C ATOM 0 H ALA A 96 -3.557 9.840 -7.390 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.072 12.703 -6.833 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.528 12.905 -7.037 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.794 12.249 -8.520 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.635 11.164 -7.387 1.00 0.00 H new ATOM 1024 N ARG A 97 -4.241 12.716 -4.532 1.00 0.00 N ATOM 1025 CA ARG A 97 -4.514 12.659 -3.101 1.00 0.00 C ATOM 1026 C ARG A 97 -5.899 12.077 -2.835 1.00 0.00 C ATOM 1027 O ARG A 97 -6.086 11.297 -1.901 1.00 0.00 O ATOM 1028 CB ARG A 97 -4.408 14.055 -2.485 1.00 0.00 C ATOM 1029 CG ARG A 97 -5.352 15.070 -3.108 1.00 0.00 C ATOM 1030 CD ARG A 97 -5.410 16.351 -2.292 1.00 0.00 C ATOM 1031 NE ARG A 97 -5.716 17.515 -3.120 1.00 0.00 N ATOM 1032 CZ ARG A 97 -5.420 18.762 -2.774 1.00 0.00 C ATOM 1033 NH1 ARG A 97 -4.813 19.007 -1.621 1.00 0.00 N ATOM 1034 NH2 ARG A 97 -5.731 19.768 -3.581 1.00 0.00 N ATOM 0 H ARG A 97 -4.277 13.654 -4.931 1.00 0.00 H new ATOM 0 HA ARG A 97 -3.771 12.008 -2.640 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -4.614 13.988 -1.417 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -3.384 14.412 -2.590 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -5.025 15.298 -4.122 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.351 14.640 -3.184 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -6.167 16.251 -1.514 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -4.455 16.504 -1.790 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.183 17.361 -4.014 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -4.572 18.236 -0.998 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -4.587 19.966 -1.358 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -6.198 19.584 -4.469 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -5.503 20.726 -3.314 1.00 0.00 H new ATOM 1048 N ASP A 98 -6.866 12.464 -3.660 1.00 0.00 N ATOM 1049 CA ASP A 98 -8.234 11.980 -3.514 1.00 0.00 C ATOM 1050 C ASP A 98 -8.289 10.460 -3.632 1.00 0.00 C ATOM 1051 O ASP A 98 -8.758 9.774 -2.724 1.00 0.00 O ATOM 1052 CB ASP A 98 -9.139 12.620 -4.568 1.00 0.00 C ATOM 1053 CG ASP A 98 -8.506 12.626 -5.946 1.00 0.00 C ATOM 1054 OD1 ASP A 98 -8.560 11.582 -6.629 1.00 0.00 O ATOM 1055 OD2 ASP A 98 -7.959 13.676 -6.342 1.00 0.00 O ATOM 0 H ASP A 98 -6.728 13.111 -4.436 1.00 0.00 H new ATOM 0 HA ASP A 98 -8.589 12.262 -2.523 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -10.085 12.079 -4.608 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -9.369 13.644 -4.272 1.00 0.00 H new ATOM 1060 N SER A 99 -7.808 9.942 -4.757 1.00 0.00 N ATOM 1061 CA SER A 99 -7.807 8.503 -4.997 1.00 0.00 C ATOM 1062 C SER A 99 -7.421 7.742 -3.732 1.00 0.00 C ATOM 1063 O SER A 99 -7.986 6.692 -3.429 1.00 0.00 O ATOM 1064 CB SER A 99 -6.841 8.154 -6.130 1.00 0.00 C ATOM 1065 OG SER A 99 -7.259 8.735 -7.354 1.00 0.00 O ATOM 0 H SER A 99 -7.414 10.497 -5.517 1.00 0.00 H new ATOM 0 HA SER A 99 -8.816 8.207 -5.285 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.840 8.506 -5.880 1.00 0.00 H new ATOM 0 HB3 SER A 99 -6.780 7.071 -6.240 1.00 0.00 H new ATOM 0 HG SER A 99 -6.624 8.499 -8.062 1.00 0.00 H new ATOM 1071 N ALA A 100 -6.453 8.281 -2.997 1.00 0.00 N ATOM 1072 CA ALA A 100 -5.992 7.655 -1.764 1.00 0.00 C ATOM 1073 C ALA A 100 -7.066 7.716 -0.683 1.00 0.00 C ATOM 1074 O ALA A 100 -7.392 6.704 -0.061 1.00 0.00 O ATOM 1075 CB ALA A 100 -4.714 8.323 -1.279 1.00 0.00 C ATOM 0 H ALA A 100 -5.973 9.149 -3.234 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.784 6.606 -1.974 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.381 7.846 -0.357 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -3.940 8.223 -2.040 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.904 9.380 -1.092 1.00 0.00 H new ATOM 1081 N LEU A 101 -7.611 8.907 -0.463 1.00 0.00 N ATOM 1082 CA LEU A 101 -8.649 9.099 0.545 1.00 0.00 C ATOM 1083 C LEU A 101 -9.799 8.120 0.335 1.00 0.00 C ATOM 1084 O LEU A 101 -10.295 7.514 1.285 1.00 0.00 O ATOM 1085 CB LEU A 101 -9.171 10.536 0.499 1.00 0.00 C ATOM 1086 CG LEU A 101 -8.113 11.637 0.574 1.00 0.00 C ATOM 1087 CD1 LEU A 101 -8.672 12.950 0.048 1.00 0.00 C ATOM 1088 CD2 LEU A 101 -7.616 11.802 2.003 1.00 0.00 C ATOM 0 H LEU A 101 -7.352 9.754 -0.968 1.00 0.00 H new ATOM 0 HA LEU A 101 -8.210 8.910 1.525 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -9.737 10.666 -0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -9.870 10.674 1.324 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.269 11.347 -0.052 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -7.905 13.722 0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -8.979 12.825 -0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -9.533 13.245 0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -6.863 12.590 2.038 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -8.451 12.069 2.650 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.177 10.865 2.346 1.00 0.00 H new ATOM 1100 N LYS A 102 -10.219 7.968 -0.917 1.00 0.00 N ATOM 1101 CA LYS A 102 -11.310 7.061 -1.254 1.00 0.00 C ATOM 1102 C LYS A 102 -10.966 5.628 -0.859 1.00 0.00 C ATOM 1103 O LYS A 102 -11.538 5.079 0.082 1.00 0.00 O ATOM 1104 CB LYS A 102 -11.614 7.130 -2.752 1.00 0.00 C ATOM 1105 CG LYS A 102 -11.970 8.524 -3.237 1.00 0.00 C ATOM 1106 CD LYS A 102 -12.463 8.506 -4.674 1.00 0.00 C ATOM 1107 CE LYS A 102 -13.947 8.182 -4.750 1.00 0.00 C ATOM 1108 NZ LYS A 102 -14.790 9.344 -4.353 1.00 0.00 N ATOM 0 H LYS A 102 -9.820 8.462 -1.715 1.00 0.00 H new ATOM 0 HA LYS A 102 -12.194 7.371 -0.696 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.747 6.772 -3.307 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.439 6.454 -2.978 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -12.740 8.949 -2.593 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -11.096 9.171 -3.159 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -12.277 9.476 -5.136 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.899 7.768 -5.244 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -14.201 7.879 -5.766 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -14.167 7.335 -4.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -15.785 9.144 -4.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -14.692 9.511 -3.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -14.482 10.190 -4.873 1.00 0.00 H new ATOM 1122 N ALA A 103 -10.028 5.028 -1.585 1.00 0.00 N ATOM 1123 CA ALA A 103 -9.606 3.660 -1.308 1.00 0.00 C ATOM 1124 C ALA A 103 -9.314 3.466 0.176 1.00 0.00 C ATOM 1125 O ALA A 103 -9.684 2.449 0.762 1.00 0.00 O ATOM 1126 CB ALA A 103 -8.382 3.307 -2.140 1.00 0.00 C ATOM 0 H ALA A 103 -9.546 5.468 -2.369 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.422 2.991 -1.581 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.078 2.283 -1.923 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.624 3.397 -3.199 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.567 3.987 -1.895 1.00 0.00 H new ATOM 1132 N GLN A 104 -8.647 4.446 0.776 1.00 0.00 N ATOM 1133 CA GLN A 104 -8.304 4.381 2.192 1.00 0.00 C ATOM 1134 C GLN A 104 -9.553 4.187 3.046 1.00 0.00 C ATOM 1135 O GLN A 104 -9.652 3.227 3.810 1.00 0.00 O ATOM 1136 CB GLN A 104 -7.571 5.653 2.620 1.00 0.00 C ATOM 1137 CG GLN A 104 -7.320 5.736 4.117 1.00 0.00 C ATOM 1138 CD GLN A 104 -7.291 7.164 4.626 1.00 0.00 C ATOM 1139 OE1 GLN A 104 -6.467 7.998 4.002 1.00 0.00 O flip ATOM 1140 NE2 GLN A 104 -8.001 7.514 5.569 1.00 0.00 N flip ATOM 0 H GLN A 104 -8.333 5.294 0.304 1.00 0.00 H new ATOM 0 HA GLN A 104 -7.647 3.524 2.342 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -6.616 5.706 2.096 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -8.154 6.520 2.309 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -8.098 5.183 4.643 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -6.371 5.252 4.350 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -8.620 6.840 6.019 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -7.970 8.478 5.900 1.00 0.00 H new ATOM 1149 N SER A 105 -10.503 5.107 2.913 1.00 0.00 N ATOM 1150 CA SER A 105 -11.744 5.040 3.676 1.00 0.00 C ATOM 1151 C SER A 105 -12.686 3.993 3.089 1.00 0.00 C ATOM 1152 O SER A 105 -13.706 3.655 3.689 1.00 0.00 O ATOM 1153 CB SER A 105 -12.431 6.407 3.694 1.00 0.00 C ATOM 1154 OG SER A 105 -11.987 7.186 4.792 1.00 0.00 O ATOM 0 H SER A 105 -10.437 5.907 2.284 1.00 0.00 H new ATOM 0 HA SER A 105 -11.498 4.751 4.698 1.00 0.00 H new ATOM 0 HB2 SER A 105 -12.224 6.934 2.763 1.00 0.00 H new ATOM 0 HB3 SER A 105 -13.511 6.274 3.752 1.00 0.00 H new ATOM 0 HG SER A 105 -12.439 8.055 4.780 1.00 0.00 H new ATOM 1160 N ALA A 106 -12.336 3.484 1.913 1.00 0.00 N ATOM 1161 CA ALA A 106 -13.148 2.474 1.245 1.00 0.00 C ATOM 1162 C ALA A 106 -12.572 1.078 1.457 1.00 0.00 C ATOM 1163 O ALA A 106 -13.244 0.075 1.214 1.00 0.00 O ATOM 1164 CB ALA A 106 -13.258 2.782 -0.241 1.00 0.00 C ATOM 0 H ALA A 106 -11.495 3.754 1.403 1.00 0.00 H new ATOM 0 HA ALA A 106 -14.145 2.497 1.684 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -13.867 2.019 -0.727 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.723 3.758 -0.377 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -12.263 2.789 -0.686 1.00 0.00 H new ATOM 1170 N LEU A 107 -11.325 1.021 1.909 1.00 0.00 N ATOM 1171 CA LEU A 107 -10.657 -0.253 2.153 1.00 0.00 C ATOM 1172 C LEU A 107 -10.435 -0.475 3.646 1.00 0.00 C ATOM 1173 O LEU A 107 -10.663 -1.569 4.163 1.00 0.00 O ATOM 1174 CB LEU A 107 -9.318 -0.300 1.414 1.00 0.00 C ATOM 1175 CG LEU A 107 -9.395 -0.477 -0.102 1.00 0.00 C ATOM 1176 CD1 LEU A 107 -8.051 -0.167 -0.744 1.00 0.00 C ATOM 1177 CD2 LEU A 107 -9.842 -1.889 -0.452 1.00 0.00 C ATOM 0 H LEU A 107 -10.755 1.842 2.114 1.00 0.00 H new ATOM 0 HA LEU A 107 -11.300 -1.049 1.778 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.777 0.622 1.625 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -8.727 -1.118 1.826 1.00 0.00 H new ATOM 0 HG LEU A 107 -10.132 0.224 -0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.125 -0.298 -1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.771 0.863 -0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.294 -0.843 -0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.891 -1.997 -1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.129 -2.607 -0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -10.827 -2.076 -0.024 1.00 0.00 H new ATOM 1189 N HIS A 108 -9.991 0.571 4.335 1.00 0.00 N ATOM 1190 CA HIS A 108 -9.741 0.492 5.769 1.00 0.00 C ATOM 1191 C HIS A 108 -10.948 -0.087 6.500 1.00 0.00 C ATOM 1192 O HIS A 108 -11.907 0.626 6.794 1.00 0.00 O ATOM 1193 CB HIS A 108 -9.407 1.876 6.328 1.00 0.00 C ATOM 1194 CG HIS A 108 -8.865 1.844 7.724 1.00 0.00 C ATOM 1195 ND1 HIS A 108 -7.567 1.485 8.020 1.00 0.00 N ATOM 1196 CD2 HIS A 108 -9.454 2.130 8.909 1.00 0.00 C ATOM 1197 CE1 HIS A 108 -7.381 1.550 9.326 1.00 0.00 C ATOM 1198 NE2 HIS A 108 -8.511 1.940 9.889 1.00 0.00 N ATOM 0 H HIS A 108 -9.797 1.484 3.923 1.00 0.00 H new ATOM 0 HA HIS A 108 -8.890 -0.170 5.928 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -8.678 2.356 5.675 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -10.306 2.492 6.310 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -10.475 2.448 9.056 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -6.462 1.323 9.845 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -8.659 2.078 10.889 1.00 0.00 H new ATOM 1206 N GLU A 109 -10.894 -1.383 6.790 1.00 0.00 N ATOM 1207 CA GLU A 109 -11.985 -2.056 7.485 1.00 0.00 C ATOM 1208 C GLU A 109 -13.214 -2.168 6.587 1.00 0.00 C ATOM 1209 O GLU A 109 -14.348 -2.102 7.061 1.00 0.00 O ATOM 1210 CB GLU A 109 -12.343 -1.304 8.768 1.00 0.00 C ATOM 1211 CG GLU A 109 -11.139 -0.961 9.629 1.00 0.00 C ATOM 1212 CD GLU A 109 -11.504 -0.753 11.086 1.00 0.00 C ATOM 1213 OE1 GLU A 109 -12.098 0.297 11.405 1.00 0.00 O ATOM 1214 OE2 GLU A 109 -11.194 -1.642 11.907 1.00 0.00 O ATOM 0 H GLU A 109 -10.107 -1.988 6.555 1.00 0.00 H new ATOM 0 HA GLU A 109 -11.652 -3.061 7.744 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -12.866 -0.384 8.506 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -13.036 -1.909 9.352 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -10.403 -1.762 9.553 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -10.667 -0.057 9.244 1.00 0.00 H new ATOM 1221 N GLN A 110 -12.980 -2.338 5.290 1.00 0.00 N ATOM 1222 CA GLN A 110 -14.067 -2.458 4.327 1.00 0.00 C ATOM 1223 C GLN A 110 -13.935 -3.741 3.513 1.00 0.00 C ATOM 1224 O GLN A 110 -14.915 -4.453 3.292 1.00 0.00 O ATOM 1225 CB GLN A 110 -14.085 -1.247 3.393 1.00 0.00 C ATOM 1226 CG GLN A 110 -14.714 -0.010 4.013 1.00 0.00 C ATOM 1227 CD GLN A 110 -13.699 0.875 4.709 1.00 0.00 C ATOM 1228 OE1 GLN A 110 -12.495 0.761 4.475 1.00 0.00 O ATOM 1229 NE2 GLN A 110 -14.180 1.764 5.570 1.00 0.00 N ATOM 0 H GLN A 110 -12.047 -2.396 4.882 1.00 0.00 H new ATOM 0 HA GLN A 110 -15.006 -2.496 4.880 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.063 -1.014 3.094 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -14.631 -1.506 2.486 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.219 0.564 3.236 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.476 -0.315 4.730 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -15.185 1.824 5.733 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -13.544 2.387 6.068 1.00 0.00 H new ATOM 1238 N LYS A 111 -12.717 -4.031 3.069 1.00 0.00 N ATOM 1239 CA LYS A 111 -12.454 -5.228 2.280 1.00 0.00 C ATOM 1240 C LYS A 111 -11.852 -6.330 3.146 1.00 0.00 C ATOM 1241 O LYS A 111 -11.251 -6.057 4.186 1.00 0.00 O ATOM 1242 CB LYS A 111 -11.510 -4.903 1.120 1.00 0.00 C ATOM 1243 CG LYS A 111 -11.699 -5.804 -0.089 1.00 0.00 C ATOM 1244 CD LYS A 111 -10.758 -6.997 -0.047 1.00 0.00 C ATOM 1245 CE LYS A 111 -9.400 -6.656 -0.641 1.00 0.00 C ATOM 1246 NZ LYS A 111 -8.464 -6.119 0.386 1.00 0.00 N ATOM 0 H LYS A 111 -11.895 -3.452 3.243 1.00 0.00 H new ATOM 0 HA LYS A 111 -13.403 -5.583 1.879 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -11.662 -3.867 0.818 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.480 -4.986 1.467 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -12.731 -6.154 -0.126 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -11.524 -5.233 -1.001 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -10.633 -7.327 0.984 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -11.198 -7.829 -0.597 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -8.968 -7.548 -1.095 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -9.526 -5.922 -1.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -7.486 -6.352 0.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -8.570 -5.086 0.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -8.682 -6.544 1.310 1.00 0.00 H new ATOM 1260 N THR A 112 -12.015 -7.575 2.711 1.00 0.00 N ATOM 1261 CA THR A 112 -11.487 -8.717 3.446 1.00 0.00 C ATOM 1262 C THR A 112 -10.779 -9.692 2.513 1.00 0.00 C ATOM 1263 O THR A 112 -11.421 -10.494 1.833 1.00 0.00 O ATOM 1264 CB THR A 112 -12.603 -9.465 4.200 1.00 0.00 C ATOM 1265 OG1 THR A 112 -13.176 -8.612 5.198 1.00 0.00 O ATOM 1266 CG2 THR A 112 -12.063 -10.728 4.854 1.00 0.00 C ATOM 0 H THR A 112 -12.509 -7.818 1.852 1.00 0.00 H new ATOM 0 HA THR A 112 -10.771 -8.324 4.168 1.00 0.00 H new ATOM 0 HB THR A 112 -13.371 -9.748 3.480 1.00 0.00 H new ATOM 0 HG1 THR A 112 -13.886 -9.094 5.672 1.00 0.00 H new ATOM 0 HG21 THR A 112 -12.870 -11.239 5.380 1.00 0.00 H new ATOM 0 HG22 THR A 112 -11.654 -11.388 4.089 1.00 0.00 H new ATOM 0 HG23 THR A 112 -11.278 -10.464 5.562 1.00 0.00 H new ATOM 1274 N LEU A 113 -9.453 -9.620 2.485 1.00 0.00 N ATOM 1275 CA LEU A 113 -8.656 -10.498 1.634 1.00 0.00 C ATOM 1276 C LEU A 113 -8.992 -11.962 1.897 1.00 0.00 C ATOM 1277 O LEU A 113 -9.440 -12.337 2.981 1.00 0.00 O ATOM 1278 CB LEU A 113 -7.165 -10.254 1.871 1.00 0.00 C ATOM 1279 CG LEU A 113 -6.589 -8.974 1.266 1.00 0.00 C ATOM 1280 CD1 LEU A 113 -5.177 -8.730 1.776 1.00 0.00 C ATOM 1281 CD2 LEU A 113 -6.603 -9.049 -0.254 1.00 0.00 C ATOM 0 H LEU A 113 -8.906 -8.963 3.042 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.894 -10.271 0.595 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -6.987 -10.236 2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.610 -11.103 1.470 1.00 0.00 H new ATOM 0 HG LEU A 113 -7.214 -8.136 1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.784 -7.814 1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -5.194 -8.631 2.861 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.540 -9.570 1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -6.189 -8.129 -0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.002 -9.897 -0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -7.628 -9.175 -0.603 1.00 0.00 H new ATOM 1293 N PRO A 114 -8.769 -12.812 0.884 1.00 0.00 N ATOM 1294 CA PRO A 114 -9.039 -14.249 0.982 1.00 0.00 C ATOM 1295 C PRO A 114 -8.067 -14.959 1.920 1.00 0.00 C ATOM 1296 O PRO A 114 -6.874 -15.054 1.636 1.00 0.00 O ATOM 1297 CB PRO A 114 -8.853 -14.744 -0.454 1.00 0.00 C ATOM 1298 CG PRO A 114 -7.926 -13.759 -1.077 1.00 0.00 C ATOM 1299 CD PRO A 114 -8.236 -12.435 -0.436 1.00 0.00 C ATOM 0 HA PRO A 114 -10.029 -14.450 1.392 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -8.434 -15.750 -0.475 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -9.804 -14.784 -0.985 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -6.887 -14.040 -0.908 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -8.073 -13.714 -2.156 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -7.345 -11.813 -0.347 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -8.964 -11.868 -1.016 1.00 0.00 H new ATOM 1307 N GLY A 115 -8.587 -15.455 3.038 1.00 0.00 N ATOM 1308 CA GLY A 115 -7.751 -16.150 4.000 1.00 0.00 C ATOM 1309 C GLY A 115 -7.370 -15.273 5.176 1.00 0.00 C ATOM 1310 O GLY A 115 -6.471 -15.612 5.946 1.00 0.00 O ATOM 0 H GLY A 115 -9.572 -15.388 3.295 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -8.278 -17.032 4.364 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.846 -16.501 3.504 1.00 0.00 H new ATOM 1314 N MET A 116 -8.054 -14.142 5.316 1.00 0.00 N ATOM 1315 CA MET A 116 -7.781 -13.214 6.407 1.00 0.00 C ATOM 1316 C MET A 116 -9.039 -12.960 7.232 1.00 0.00 C ATOM 1317 O MET A 116 -9.871 -12.129 6.870 1.00 0.00 O ATOM 1318 CB MET A 116 -7.241 -11.892 5.858 1.00 0.00 C ATOM 1319 CG MET A 116 -5.748 -11.916 5.573 1.00 0.00 C ATOM 1320 SD MET A 116 -4.756 -12.002 7.076 1.00 0.00 S ATOM 1321 CE MET A 116 -4.056 -10.354 7.114 1.00 0.00 C ATOM 0 H MET A 116 -8.801 -13.846 4.688 1.00 0.00 H new ATOM 0 HA MET A 116 -7.028 -13.664 7.054 1.00 0.00 H new ATOM 0 HB2 MET A 116 -7.774 -11.645 4.940 1.00 0.00 H new ATOM 0 HB3 MET A 116 -7.453 -11.097 6.573 1.00 0.00 H new ATOM 0 HG2 MET A 116 -5.517 -12.773 4.940 1.00 0.00 H new ATOM 0 HG3 MET A 116 -5.475 -11.022 5.012 1.00 0.00 H new ATOM 0 HE1 MET A 116 -3.473 -10.227 8.026 1.00 0.00 H new ATOM 0 HE2 MET A 116 -3.410 -10.213 6.247 1.00 0.00 H new ATOM 0 HE3 MET A 116 -4.859 -9.617 7.092 1.00 0.00 H new ATOM 1331 N ASN A 117 -9.169 -13.680 8.341 1.00 0.00 N ATOM 1332 CA ASN A 117 -10.326 -13.533 9.216 1.00 0.00 C ATOM 1333 C ASN A 117 -10.670 -12.060 9.420 1.00 0.00 C ATOM 1334 O ASN A 117 -11.840 -11.694 9.528 1.00 0.00 O ATOM 1335 CB ASN A 117 -10.058 -14.198 10.568 1.00 0.00 C ATOM 1336 CG ASN A 117 -10.175 -15.708 10.502 1.00 0.00 C ATOM 1337 OD1 ASN A 117 -11.250 -16.268 10.720 1.00 0.00 O ATOM 1338 ND2 ASN A 117 -9.067 -16.375 10.202 1.00 0.00 N ATOM 0 H ASN A 117 -8.488 -14.371 8.655 1.00 0.00 H new ATOM 0 HA ASN A 117 -11.175 -14.024 8.740 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -9.059 -13.928 10.911 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -10.763 -13.813 11.305 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -9.084 -17.393 10.144 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -8.198 -15.869 10.029 1.00 0.00 H new ATOM 1345 N ARG A 118 -9.641 -11.220 9.472 1.00 0.00 N ATOM 1346 CA ARG A 118 -9.834 -9.788 9.664 1.00 0.00 C ATOM 1347 C ARG A 118 -9.718 -9.041 8.338 1.00 0.00 C ATOM 1348 O ARG A 118 -9.048 -9.483 7.405 1.00 0.00 O ATOM 1349 CB ARG A 118 -8.807 -9.243 10.659 1.00 0.00 C ATOM 1350 CG ARG A 118 -7.377 -9.646 10.342 1.00 0.00 C ATOM 1351 CD ARG A 118 -6.955 -10.873 11.135 1.00 0.00 C ATOM 1352 NE ARG A 118 -7.014 -10.640 12.576 1.00 0.00 N ATOM 1353 CZ ARG A 118 -6.315 -11.340 13.463 1.00 0.00 C ATOM 1354 NH1 ARG A 118 -5.509 -12.312 13.059 1.00 0.00 N ATOM 1355 NH2 ARG A 118 -6.422 -11.068 14.757 1.00 0.00 N ATOM 0 H ARG A 118 -8.666 -11.506 9.384 1.00 0.00 H new ATOM 0 HA ARG A 118 -10.836 -9.632 10.063 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -8.873 -8.155 10.677 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.061 -9.594 11.659 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -7.284 -9.851 9.276 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -6.706 -8.817 10.567 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -7.601 -11.712 10.877 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -5.940 -11.155 10.854 1.00 0.00 H new ATOM 0 HE ARG A 118 -7.625 -9.899 12.920 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -5.424 -12.524 12.065 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -4.974 -12.848 13.742 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -7.041 -10.321 15.072 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -5.885 -11.606 15.437 1.00 0.00 H new ATOM 1369 N PRO A 119 -10.388 -7.883 8.251 1.00 0.00 N ATOM 1370 CA PRO A 119 -10.377 -7.050 7.044 1.00 0.00 C ATOM 1371 C PRO A 119 -9.020 -6.397 6.804 1.00 0.00 C ATOM 1372 O PRO A 119 -8.066 -6.635 7.545 1.00 0.00 O ATOM 1373 CB PRO A 119 -11.438 -5.987 7.337 1.00 0.00 C ATOM 1374 CG PRO A 119 -11.495 -5.907 8.823 1.00 0.00 C ATOM 1375 CD PRO A 119 -11.208 -7.295 9.324 1.00 0.00 C ATOM 0 HA PRO A 119 -10.575 -7.632 6.144 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -11.167 -5.026 6.899 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -12.405 -6.267 6.918 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -10.762 -5.195 9.204 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -12.475 -5.566 9.158 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -10.674 -7.277 10.274 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -12.125 -7.862 9.485 1.00 0.00 H new ATOM 1383 N ILE A 120 -8.942 -5.573 5.764 1.00 0.00 N ATOM 1384 CA ILE A 120 -7.702 -4.885 5.428 1.00 0.00 C ATOM 1385 C ILE A 120 -7.589 -3.560 6.174 1.00 0.00 C ATOM 1386 O ILE A 120 -8.590 -2.883 6.412 1.00 0.00 O ATOM 1387 CB ILE A 120 -7.598 -4.619 3.914 1.00 0.00 C ATOM 1388 CG1 ILE A 120 -6.414 -3.697 3.616 1.00 0.00 C ATOM 1389 CG2 ILE A 120 -8.893 -4.013 3.393 1.00 0.00 C ATOM 1390 CD1 ILE A 120 -6.201 -3.446 2.140 1.00 0.00 C ATOM 0 H ILE A 120 -9.722 -5.366 5.140 1.00 0.00 H new ATOM 0 HA ILE A 120 -6.886 -5.541 5.731 1.00 0.00 H new ATOM 0 HB ILE A 120 -7.432 -5.568 3.404 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -6.571 -2.743 4.120 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -5.508 -4.134 4.036 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -8.804 -3.831 2.322 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -9.717 -4.702 3.577 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -9.086 -3.071 3.907 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -5.346 -2.785 2.003 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -6.012 -4.393 1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -7.091 -2.980 1.718 1.00 0.00 H new ATOM 1402 N GLN A 121 -6.364 -3.195 6.539 1.00 0.00 N ATOM 1403 CA GLN A 121 -6.121 -1.949 7.257 1.00 0.00 C ATOM 1404 C GLN A 121 -5.199 -1.032 6.460 1.00 0.00 C ATOM 1405 O GLN A 121 -4.058 -1.388 6.163 1.00 0.00 O ATOM 1406 CB GLN A 121 -5.510 -2.238 8.629 1.00 0.00 C ATOM 1407 CG GLN A 121 -6.510 -2.780 9.638 1.00 0.00 C ATOM 1408 CD GLN A 121 -5.911 -2.948 11.020 1.00 0.00 C ATOM 1409 OE1 GLN A 121 -5.333 -3.988 11.337 1.00 0.00 O ATOM 1410 NE2 GLN A 121 -6.046 -1.922 11.853 1.00 0.00 N ATOM 0 H GLN A 121 -5.525 -3.744 6.350 1.00 0.00 H new ATOM 0 HA GLN A 121 -7.078 -1.444 7.392 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -4.699 -2.956 8.512 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -5.070 -1.321 9.022 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -7.364 -2.105 9.696 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -6.887 -3.742 9.290 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -6.533 -1.079 11.549 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -5.663 -1.978 12.797 1.00 0.00 H new ATOM 1419 N VAL A 122 -5.701 0.149 6.115 1.00 0.00 N ATOM 1420 CA VAL A 122 -4.922 1.118 5.353 1.00 0.00 C ATOM 1421 C VAL A 122 -4.929 2.484 6.030 1.00 0.00 C ATOM 1422 O VAL A 122 -5.975 2.971 6.461 1.00 0.00 O ATOM 1423 CB VAL A 122 -5.461 1.266 3.918 1.00 0.00 C ATOM 1424 CG1 VAL A 122 -4.532 2.137 3.086 1.00 0.00 C ATOM 1425 CG2 VAL A 122 -5.642 -0.100 3.274 1.00 0.00 C ATOM 0 H VAL A 122 -6.644 0.458 6.351 1.00 0.00 H new ATOM 0 HA VAL A 122 -3.900 0.741 5.313 1.00 0.00 H new ATOM 0 HB VAL A 122 -6.435 1.754 3.963 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -4.929 2.230 2.075 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -4.457 3.126 3.539 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -3.543 1.680 3.047 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -6.024 0.023 2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.683 -0.616 3.240 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -6.350 -0.687 3.859 1.00 0.00 H new ATOM 1435 N LYS A 123 -3.755 3.099 6.121 1.00 0.00 N ATOM 1436 CA LYS A 123 -3.624 4.411 6.744 1.00 0.00 C ATOM 1437 C LYS A 123 -2.566 5.248 6.033 1.00 0.00 C ATOM 1438 O LYS A 123 -1.609 4.727 5.461 1.00 0.00 O ATOM 1439 CB LYS A 123 -3.262 4.262 8.224 1.00 0.00 C ATOM 1440 CG LYS A 123 -2.044 3.389 8.467 1.00 0.00 C ATOM 1441 CD LYS A 123 -2.030 2.830 9.880 1.00 0.00 C ATOM 1442 CE LYS A 123 -1.043 1.681 10.015 1.00 0.00 C ATOM 1443 NZ LYS A 123 0.339 2.165 10.284 1.00 0.00 N ATOM 0 H LYS A 123 -2.880 2.710 5.771 1.00 0.00 H new ATOM 0 HA LYS A 123 -4.583 4.922 6.660 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -3.080 5.250 8.646 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -4.114 3.839 8.757 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -2.035 2.568 7.750 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -1.138 3.971 8.296 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -1.768 3.621 10.583 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -3.029 2.486 10.146 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -1.361 1.023 10.823 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -1.048 1.088 9.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 0.981 1.351 10.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 0.653 2.773 9.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 0.350 2.709 11.170 1.00 0.00 H new ATOM 1457 N PRO A 124 -2.740 6.578 6.069 1.00 0.00 N ATOM 1458 CA PRO A 124 -1.808 7.515 5.434 1.00 0.00 C ATOM 1459 C PRO A 124 -0.465 7.573 6.152 1.00 0.00 C ATOM 1460 O PRO A 124 -0.243 8.430 7.007 1.00 0.00 O ATOM 1461 CB PRO A 124 -2.531 8.860 5.542 1.00 0.00 C ATOM 1462 CG PRO A 124 -3.436 8.711 6.716 1.00 0.00 C ATOM 1463 CD PRO A 124 -3.858 7.268 6.732 1.00 0.00 C ATOM 0 HA PRO A 124 -1.570 7.224 4.411 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -1.825 9.678 5.687 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -3.093 9.081 4.635 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -2.924 8.978 7.640 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -4.300 9.370 6.629 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -4.008 6.905 7.749 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -4.796 7.118 6.198 1.00 0.00 H new ATOM 1471 N ALA A 125 0.430 6.655 5.799 1.00 0.00 N ATOM 1472 CA ALA A 125 1.753 6.604 6.408 1.00 0.00 C ATOM 1473 C ALA A 125 2.342 8.002 6.560 1.00 0.00 C ATOM 1474 O ALA A 125 2.130 8.871 5.714 1.00 0.00 O ATOM 1475 CB ALA A 125 2.681 5.725 5.582 1.00 0.00 C ATOM 0 H ALA A 125 0.262 5.937 5.094 1.00 0.00 H new ATOM 0 HA ALA A 125 1.651 6.171 7.403 1.00 0.00 H new ATOM 0 HB1 ALA A 125 3.666 5.696 6.049 1.00 0.00 H new ATOM 0 HB2 ALA A 125 2.274 4.715 5.530 1.00 0.00 H new ATOM 0 HB3 ALA A 125 2.769 6.133 4.575 1.00 0.00 H new