USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 408 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 14 CYS SG : rot -92:sc= -17! USER MOD Set 1.2: A 39 CYS SG : rot -79:sc= -18.5! USER MOD Set 1.3: A 60 CYS SG : rot -67:sc= -12.9! USER MOD Set 1.4: A 64 CYS SG : rot -54:sc= -19.4! USER MOD Set 2.1: A 38 GLN :FLIP amide:sc= -0.691 F(o=-3,f=-0.78) USER MOD Set 2.2: A 61 LYS NZ :NH3+ -122:sc= -0.0934 (180deg=-0.329) USER MOD Single : A 10 LYS NZ :NH3+ -124:sc= 0.675 (180deg=-1.51!) USER MOD Single : A 23 CYS SG : rot 180:sc= 0.178 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 150:sc= -0.681 USER MOD Single : A 32 TYR OH : rot -69:sc= 0.196 USER MOD Single : A 33 ASN : amide:sc= -0.0345 K(o=-0.034,f=-1.5) USER MOD Single : A 34 ASN :FLIP amide:sc= -0.297 F(o=-0.99,f=-0.3) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 124:sc= 1.19 USER MOD Single : A 37 LYS NZ :NH3+ -154:sc= 0.0905 (180deg=0.00367) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -11.8! C(o=-12!,f=-18!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -3.57! C(o=-3.6!,f=-15!) USER MOD Single : A 53 ASN : amide:sc= -6.65! C(o=-6.7!,f=-10!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.32 USER MOD Single : A 62 ASN : amide:sc= -0.217 X(o=-0.22,f=-0.0054) USER MOD ----------------------------------------------------------------- ATOM 145 N LYS A 10 15.605 14.087 -12.796 1.00 1.00 N ATOM 146 CA LYS A 10 16.058 14.499 -14.113 1.00 1.00 C ATOM 147 C LYS A 10 16.948 13.405 -14.707 1.00 1.00 C ATOM 148 O LYS A 10 17.568 12.664 -13.931 1.00 1.00 O ATOM 149 CB LYS A 10 16.735 15.870 -14.042 1.00 1.00 C ATOM 150 CG LYS A 10 16.121 16.838 -15.055 1.00 1.00 C ATOM 151 CD LYS A 10 17.205 17.494 -15.913 1.00 1.00 C ATOM 152 CE LYS A 10 16.588 18.257 -17.087 1.00 1.00 C ATOM 153 NZ LYS A 10 16.926 19.687 -17.007 1.00 1.00 N ATOM 0 HA LYS A 10 15.210 14.622 -14.786 1.00 1.00 H new ATOM 0 HB2 LYS A 10 16.634 16.278 -13.036 1.00 1.00 H new ATOM 0 HB3 LYS A 10 17.802 15.763 -14.237 1.00 1.00 H new ATOM 0 HG2 LYS A 10 15.419 16.303 -15.695 1.00 1.00 H new ATOM 0 HG3 LYS A 10 15.552 17.606 -14.531 1.00 1.00 H new ATOM 0 HD2 LYS A 10 17.795 18.176 -15.301 1.00 1.00 H new ATOM 0 HD3 LYS A 10 17.888 16.732 -16.289 1.00 1.00 H new ATOM 0 HE2 LYS A 10 16.951 17.844 -18.028 1.00 1.00 H new ATOM 0 HE3 LYS A 10 15.505 18.132 -17.081 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 16.052 20.251 -17.009 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 17.454 19.870 -16.130 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 17.511 19.952 -17.825 1.00 1.00 H new ATOM 167 N PRO A 11 16.991 13.327 -16.049 1.00 1.00 N ATOM 168 CA PRO A 11 17.785 12.346 -16.770 1.00 1.00 C ATOM 169 C PRO A 11 19.274 12.693 -16.707 1.00 1.00 C ATOM 170 O PRO A 11 19.702 13.590 -17.447 1.00 1.00 O ATOM 171 CB PRO A 11 17.232 12.357 -18.186 1.00 1.00 C ATOM 172 CG PRO A 11 16.468 13.664 -18.326 1.00 1.00 C ATOM 173 CD PRO A 11 16.272 14.240 -16.933 1.00 1.00 C ATOM 0 HA PRO A 11 17.716 11.348 -16.337 1.00 1.00 H new ATOM 0 HB2 PRO A 11 18.036 12.294 -18.920 1.00 1.00 H new ATOM 0 HB3 PRO A 11 16.578 11.502 -18.356 1.00 1.00 H new ATOM 0 HG2 PRO A 11 17.020 14.363 -18.954 1.00 1.00 H new ATOM 0 HG3 PRO A 11 15.505 13.494 -18.808 1.00 1.00 H new ATOM 0 HD2 PRO A 11 16.669 15.253 -16.864 1.00 1.00 H new ATOM 0 HD3 PRO A 11 15.215 14.294 -16.672 1.00 1.00 H new ATOM 181 N ASP A 12 20.020 11.986 -15.839 1.00 1.00 N ATOM 182 CA ASP A 12 21.446 12.217 -15.684 1.00 1.00 C ATOM 183 C ASP A 12 22.151 11.941 -17.013 1.00 1.00 C ATOM 184 O ASP A 12 23.184 12.574 -17.275 1.00 1.00 O ATOM 185 CB ASP A 12 22.043 11.284 -14.628 1.00 1.00 C ATOM 186 CG ASP A 12 23.567 11.342 -14.502 1.00 1.00 C ATOM 187 OD1 ASP A 12 24.023 12.374 -13.876 1.00 1.00 O ATOM 188 OD2 ASP A 12 24.281 10.447 -14.977 1.00 1.00 O ATOM 0 H ASP A 12 19.647 11.251 -15.238 1.00 1.00 H new ATOM 0 HA ASP A 12 21.588 13.252 -15.373 1.00 1.00 H new ATOM 0 HB2 ASP A 12 21.604 11.527 -13.660 1.00 1.00 H new ATOM 0 HB3 ASP A 12 21.751 10.260 -14.863 1.00 1.00 H new ATOM 193 N PHE A 13 21.589 11.016 -17.812 1.00 1.00 N ATOM 194 CA PHE A 13 22.160 10.662 -19.100 1.00 1.00 C ATOM 195 C PHE A 13 22.308 11.925 -19.952 1.00 1.00 C ATOM 196 O PHE A 13 23.206 11.958 -20.806 1.00 1.00 O ATOM 197 CB PHE A 13 21.245 9.637 -19.796 1.00 1.00 C ATOM 198 CG PHE A 13 19.938 10.210 -20.327 1.00 1.00 C ATOM 199 CD1 PHE A 13 19.942 11.109 -21.419 1.00 1.00 C ATOM 200 CD2 PHE A 13 18.710 9.849 -19.724 1.00 1.00 C ATOM 201 CE1 PHE A 13 18.729 11.641 -21.905 1.00 1.00 C ATOM 202 CE2 PHE A 13 17.497 10.382 -20.211 1.00 1.00 C ATOM 203 CZ PHE A 13 17.506 11.277 -21.301 1.00 1.00 C ATOM 0 H PHE A 13 20.738 10.506 -17.577 1.00 1.00 H new ATOM 0 HA PHE A 13 23.145 10.216 -18.965 1.00 1.00 H new ATOM 0 HB2 PHE A 13 21.791 9.186 -20.624 1.00 1.00 H new ATOM 0 HB3 PHE A 13 21.016 8.837 -19.092 1.00 1.00 H new ATOM 0 HD1 PHE A 13 20.877 11.389 -21.882 1.00 1.00 H new ATOM 0 HD2 PHE A 13 18.701 9.164 -18.889 1.00 1.00 H new ATOM 0 HE1 PHE A 13 18.736 12.327 -22.739 1.00 1.00 H new ATOM 0 HE2 PHE A 13 16.561 10.104 -19.749 1.00 1.00 H new ATOM 0 HZ PHE A 13 16.577 11.684 -21.674 1.00 1.00 H new ATOM 213 N CYS A 14 21.439 12.922 -19.707 1.00 1.00 N ATOM 214 CA CYS A 14 21.473 14.172 -20.446 1.00 1.00 C ATOM 215 C CYS A 14 22.789 14.896 -20.154 1.00 1.00 C ATOM 216 O CYS A 14 23.349 15.499 -21.081 1.00 1.00 O ATOM 217 CB CYS A 14 20.258 15.041 -20.117 1.00 1.00 C ATOM 218 SG CYS A 14 18.705 14.504 -20.891 1.00 1.00 S ATOM 0 H CYS A 14 20.707 12.874 -18.998 1.00 1.00 H new ATOM 0 HA CYS A 14 21.424 13.961 -21.514 1.00 1.00 H new ATOM 0 HB2 CYS A 14 20.122 15.056 -19.036 1.00 1.00 H new ATOM 0 HB3 CYS A 14 20.467 16.065 -20.427 1.00 1.00 H new ATOM 0 HG CYS A 14 18.550 15.119 -22.026 1.00 1.00 H new ATOM 224 N PHE A 15 23.249 14.824 -18.892 1.00 1.00 N ATOM 225 CA PHE A 15 24.486 15.468 -18.485 1.00 1.00 C ATOM 226 C PHE A 15 25.662 14.533 -18.774 1.00 1.00 C ATOM 227 O PHE A 15 26.769 14.811 -18.291 1.00 1.00 O ATOM 228 CB PHE A 15 24.413 15.807 -16.984 1.00 1.00 C ATOM 229 CG PHE A 15 23.029 16.209 -16.490 1.00 1.00 C ATOM 230 CD1 PHE A 15 22.342 17.289 -17.092 1.00 1.00 C ATOM 231 CD2 PHE A 15 22.427 15.507 -15.421 1.00 1.00 C ATOM 232 CE1 PHE A 15 21.062 17.662 -16.630 1.00 1.00 C ATOM 233 CE2 PHE A 15 21.146 15.881 -14.959 1.00 1.00 C ATOM 234 CZ PHE A 15 20.464 16.958 -15.564 1.00 1.00 C ATOM 0 H PHE A 15 22.772 14.322 -18.143 1.00 1.00 H new ATOM 0 HA PHE A 15 24.630 16.392 -19.045 1.00 1.00 H new ATOM 0 HB2 PHE A 15 24.751 14.942 -16.413 1.00 1.00 H new ATOM 0 HB3 PHE A 15 25.109 16.619 -16.774 1.00 1.00 H new ATOM 0 HD1 PHE A 15 22.799 17.830 -17.908 1.00 1.00 H new ATOM 0 HD2 PHE A 15 22.948 14.683 -14.957 1.00 1.00 H new ATOM 0 HE1 PHE A 15 20.540 18.487 -17.093 1.00 1.00 H new ATOM 0 HE2 PHE A 15 20.688 15.343 -14.142 1.00 1.00 H new ATOM 0 HZ PHE A 15 19.484 17.243 -15.211 1.00 1.00 H new ATOM 244 N LEU A 16 25.403 13.460 -19.543 1.00 1.00 N ATOM 245 CA LEU A 16 26.432 12.495 -19.891 1.00 1.00 C ATOM 246 C LEU A 16 27.141 12.950 -21.168 1.00 1.00 C ATOM 247 O LEU A 16 26.450 13.223 -22.161 1.00 1.00 O ATOM 248 CB LEU A 16 25.838 11.089 -19.985 1.00 1.00 C ATOM 249 CG LEU A 16 26.621 9.981 -19.276 1.00 1.00 C ATOM 250 CD1 LEU A 16 28.017 9.824 -19.880 1.00 1.00 C ATOM 251 CD2 LEU A 16 26.673 10.227 -17.767 1.00 1.00 C ATOM 0 H LEU A 16 24.483 13.249 -19.931 1.00 1.00 H new ATOM 0 HA LEU A 16 27.188 12.445 -19.107 1.00 1.00 H new ATOM 0 HB2 LEU A 16 24.829 11.114 -19.573 1.00 1.00 H new ATOM 0 HB3 LEU A 16 25.746 10.825 -21.038 1.00 1.00 H new ATOM 0 HG LEU A 16 26.096 9.038 -19.431 1.00 1.00 H new ATOM 0 HD11 LEU A 16 28.552 9.031 -19.358 1.00 1.00 H new ATOM 0 HD12 LEU A 16 27.930 9.569 -20.936 1.00 1.00 H new ATOM 0 HD13 LEU A 16 28.566 10.760 -19.777 1.00 1.00 H new ATOM 0 HD21 LEU A 16 27.235 9.426 -17.287 1.00 1.00 H new ATOM 0 HD22 LEU A 16 27.162 11.181 -17.571 1.00 1.00 H new ATOM 0 HD23 LEU A 16 25.659 10.250 -17.367 1.00 1.00 H new ATOM 263 N GLU A 17 28.483 13.021 -21.119 1.00 1.00 N ATOM 264 CA GLU A 17 29.275 13.439 -22.264 1.00 1.00 C ATOM 265 C GLU A 17 28.712 12.791 -23.531 1.00 1.00 C ATOM 266 O GLU A 17 28.141 11.695 -23.429 1.00 1.00 O ATOM 267 CB GLU A 17 30.754 13.093 -22.081 1.00 1.00 C ATOM 268 CG GLU A 17 31.222 13.420 -20.662 1.00 1.00 C ATOM 269 CD GLU A 17 31.250 12.163 -19.791 1.00 1.00 C ATOM 270 OE1 GLU A 17 31.237 11.041 -20.319 1.00 1.00 O ATOM 271 OE2 GLU A 17 31.287 12.381 -18.520 1.00 1.00 O ATOM 0 H GLU A 17 29.033 12.791 -20.291 1.00 1.00 H new ATOM 0 HA GLU A 17 29.213 14.523 -22.356 1.00 1.00 H new ATOM 0 HB2 GLU A 17 30.911 12.034 -22.285 1.00 1.00 H new ATOM 0 HB3 GLU A 17 31.353 13.649 -22.802 1.00 1.00 H new ATOM 0 HG2 GLU A 17 32.216 13.865 -20.697 1.00 1.00 H new ATOM 0 HG3 GLU A 17 30.557 14.160 -20.217 1.00 1.00 H new ATOM 278 N GLU A 18 28.882 13.469 -24.680 1.00 1.00 N ATOM 279 CA GLU A 18 28.394 12.962 -25.952 1.00 1.00 C ATOM 280 C GLU A 18 29.215 11.736 -26.356 1.00 1.00 C ATOM 281 O GLU A 18 30.405 11.684 -26.012 1.00 1.00 O ATOM 282 CB GLU A 18 28.442 14.037 -27.040 1.00 1.00 C ATOM 283 CG GLU A 18 29.796 14.036 -27.753 1.00 1.00 C ATOM 284 CD GLU A 18 30.247 15.463 -28.073 1.00 1.00 C ATOM 285 OE1 GLU A 18 30.647 16.149 -27.056 1.00 1.00 O ATOM 286 OE2 GLU A 18 30.210 15.878 -29.241 1.00 1.00 O ATOM 0 H GLU A 18 29.356 14.370 -24.742 1.00 1.00 H new ATOM 0 HA GLU A 18 27.349 12.673 -25.836 1.00 1.00 H new ATOM 0 HB2 GLU A 18 27.646 13.863 -27.764 1.00 1.00 H new ATOM 0 HB3 GLU A 18 28.261 15.016 -26.597 1.00 1.00 H new ATOM 0 HG2 GLU A 18 30.541 13.547 -27.126 1.00 1.00 H new ATOM 0 HG3 GLU A 18 29.726 13.458 -28.674 1.00 1.00 H new ATOM 293 N ASP A 19 28.576 10.790 -27.066 1.00 1.00 N ATOM 294 CA ASP A 19 29.242 9.578 -27.511 1.00 1.00 C ATOM 295 C ASP A 19 28.765 9.227 -28.922 1.00 1.00 C ATOM 296 O ASP A 19 27.616 8.783 -29.062 1.00 1.00 O ATOM 297 CB ASP A 19 28.912 8.399 -26.593 1.00 1.00 C ATOM 298 CG ASP A 19 29.812 7.174 -26.766 1.00 1.00 C ATOM 299 OD1 ASP A 19 30.933 7.273 -27.288 1.00 1.00 O ATOM 300 OD2 ASP A 19 29.313 6.066 -26.333 1.00 1.00 O ATOM 0 H ASP A 19 27.595 10.853 -27.339 1.00 1.00 H new ATOM 0 HA ASP A 19 30.317 9.759 -27.494 1.00 1.00 H new ATOM 0 HB2 ASP A 19 28.976 8.735 -25.558 1.00 1.00 H new ATOM 0 HB3 ASP A 19 27.879 8.100 -26.768 1.00 1.00 H new ATOM 305 N PRO A 20 29.642 9.429 -29.922 1.00 1.00 N ATOM 306 CA PRO A 20 29.347 9.147 -31.316 1.00 1.00 C ATOM 307 C PRO A 20 29.546 7.663 -31.629 1.00 1.00 C ATOM 308 O PRO A 20 29.657 7.320 -32.816 1.00 1.00 O ATOM 309 CB PRO A 20 30.279 10.051 -32.106 1.00 1.00 C ATOM 310 CG PRO A 20 31.379 10.462 -31.140 1.00 1.00 C ATOM 311 CD PRO A 20 30.921 10.107 -29.735 1.00 1.00 C ATOM 0 HA PRO A 20 28.307 9.346 -31.575 1.00 1.00 H new ATOM 0 HB2 PRO A 20 30.692 9.528 -32.969 1.00 1.00 H new ATOM 0 HB3 PRO A 20 29.747 10.923 -32.487 1.00 1.00 H new ATOM 0 HG2 PRO A 20 32.310 9.948 -31.380 1.00 1.00 H new ATOM 0 HG3 PRO A 20 31.576 11.531 -31.219 1.00 1.00 H new ATOM 0 HD2 PRO A 20 31.642 9.461 -29.235 1.00 1.00 H new ATOM 0 HD3 PRO A 20 30.810 10.998 -29.118 1.00 1.00 H new ATOM 319 N GLY A 21 29.587 6.825 -30.578 1.00 1.00 N ATOM 320 CA GLY A 21 29.770 5.393 -30.740 1.00 1.00 C ATOM 321 C GLY A 21 31.152 5.126 -31.341 1.00 1.00 C ATOM 322 O GLY A 21 32.021 6.003 -31.235 1.00 1.00 O ATOM 0 H GLY A 21 29.494 7.128 -29.608 1.00 1.00 H new ATOM 0 HA2 GLY A 21 29.676 4.891 -29.777 1.00 1.00 H new ATOM 0 HA3 GLY A 21 28.994 4.986 -31.388 1.00 1.00 H new ATOM 326 N ILE A 22 31.324 3.939 -31.951 1.00 1.00 N ATOM 327 CA ILE A 22 32.587 3.564 -32.562 1.00 1.00 C ATOM 328 C ILE A 22 32.477 3.708 -34.081 1.00 1.00 C ATOM 329 O ILE A 22 33.478 4.079 -34.712 1.00 1.00 O ATOM 330 CB ILE A 22 33.008 2.165 -32.106 1.00 1.00 C ATOM 331 CG1 ILE A 22 32.656 1.939 -30.635 1.00 1.00 C ATOM 332 CG2 ILE A 22 34.492 1.921 -32.384 1.00 1.00 C ATOM 333 CD1 ILE A 22 33.528 0.840 -30.025 1.00 1.00 C ATOM 0 H ILE A 22 30.595 3.230 -32.027 1.00 1.00 H new ATOM 0 HA ILE A 22 33.382 4.234 -32.235 1.00 1.00 H new ATOM 0 HB ILE A 22 32.447 1.433 -32.687 1.00 1.00 H new ATOM 0 HG12 ILE A 22 32.791 2.866 -30.078 1.00 1.00 H new ATOM 0 HG13 ILE A 22 31.605 1.665 -30.547 1.00 1.00 H new ATOM 0 HG21 ILE A 22 34.765 0.920 -32.050 1.00 1.00 H new ATOM 0 HG22 ILE A 22 34.681 2.011 -33.454 1.00 1.00 H new ATOM 0 HG23 ILE A 22 35.089 2.658 -31.846 1.00 1.00 H new ATOM 0 HD11 ILE A 22 33.257 0.699 -28.979 1.00 1.00 H new ATOM 0 HD12 ILE A 22 33.372 -0.092 -30.569 1.00 1.00 H new ATOM 0 HD13 ILE A 22 34.577 1.128 -30.093 1.00 1.00 H new ATOM 345 N CYS A 23 31.284 3.418 -34.629 1.00 1.00 N ATOM 346 CA CYS A 23 31.049 3.515 -36.060 1.00 1.00 C ATOM 347 C CYS A 23 31.319 4.949 -36.520 1.00 1.00 C ATOM 348 O CYS A 23 32.117 5.638 -35.867 1.00 1.00 O ATOM 349 CB CYS A 23 29.634 3.057 -36.419 1.00 1.00 C ATOM 350 SG CYS A 23 28.926 1.818 -35.296 1.00 1.00 S ATOM 0 H CYS A 23 30.472 3.115 -34.091 1.00 1.00 H new ATOM 0 HA CYS A 23 31.734 2.848 -36.584 1.00 1.00 H new ATOM 0 HB2 CYS A 23 28.979 3.928 -36.436 1.00 1.00 H new ATOM 0 HB3 CYS A 23 29.645 2.647 -37.429 1.00 1.00 H new ATOM 0 HG CYS A 23 27.728 1.506 -35.694 1.00 1.00 H new ATOM 356 N ARG A 24 30.661 5.364 -37.617 1.00 1.00 N ATOM 357 CA ARG A 24 30.830 6.702 -38.157 1.00 1.00 C ATOM 358 C ARG A 24 29.684 7.005 -39.125 1.00 1.00 C ATOM 359 O ARG A 24 28.785 6.162 -39.257 1.00 1.00 O ATOM 360 CB ARG A 24 32.163 6.850 -38.893 1.00 1.00 C ATOM 361 CG ARG A 24 32.438 5.633 -39.778 1.00 1.00 C ATOM 362 CD ARG A 24 33.773 4.980 -39.415 1.00 1.00 C ATOM 363 NE ARG A 24 33.859 3.632 -40.019 1.00 1.00 N ATOM 364 CZ ARG A 24 35.007 2.937 -40.159 1.00 1.00 C ATOM 365 NH1 ARG A 24 36.153 3.483 -39.730 1.00 1.00 N ATOM 366 NH2 ARG A 24 35.002 1.719 -40.717 1.00 1.00 N ATOM 0 H ARG A 24 30.008 4.781 -38.140 1.00 1.00 H new ATOM 0 HA ARG A 24 30.823 7.405 -37.324 1.00 1.00 H new ATOM 0 HB2 ARG A 24 32.147 7.752 -39.504 1.00 1.00 H new ATOM 0 HB3 ARG A 24 32.970 6.969 -38.170 1.00 1.00 H new ATOM 0 HG2 ARG A 24 31.632 4.908 -39.665 1.00 1.00 H new ATOM 0 HG3 ARG A 24 32.450 5.936 -40.825 1.00 1.00 H new ATOM 0 HD2 ARG A 24 34.598 5.599 -39.768 1.00 1.00 H new ATOM 0 HD3 ARG A 24 33.869 4.909 -38.332 1.00 1.00 H new ATOM 0 HE ARG A 24 32.996 3.201 -40.350 1.00 1.00 H new ATOM 0 HH11 ARG A 24 36.148 4.410 -39.305 1.00 1.00 H new ATOM 0 HH12 ARG A 24 37.030 2.971 -39.828 1.00 1.00 H new ATOM 0 HH21 ARG A 24 34.125 1.310 -41.040 1.00 1.00 H new ATOM 0 HH22 ARG A 24 35.875 1.201 -40.819 1.00 1.00 H new ATOM 380 N GLY A 25 29.738 8.184 -39.771 1.00 1.00 N ATOM 381 CA GLY A 25 28.712 8.590 -40.716 1.00 1.00 C ATOM 382 C GLY A 25 28.185 9.973 -40.327 1.00 1.00 C ATOM 383 O GLY A 25 27.776 10.723 -41.225 1.00 1.00 O ATOM 0 H GLY A 25 30.487 8.865 -39.647 1.00 1.00 H new ATOM 0 HA2 GLY A 25 29.121 8.615 -41.726 1.00 1.00 H new ATOM 0 HA3 GLY A 25 27.898 7.866 -40.720 1.00 1.00 H new ATOM 387 N TYR A 26 28.206 10.278 -39.017 1.00 1.00 N ATOM 388 CA TYR A 26 27.715 11.574 -38.581 1.00 1.00 C ATOM 389 C TYR A 26 26.246 11.721 -38.986 1.00 1.00 C ATOM 390 O TYR A 26 25.979 11.792 -40.194 1.00 1.00 O ATOM 391 CB TYR A 26 28.589 12.692 -39.180 1.00 1.00 C ATOM 392 CG TYR A 26 30.026 12.705 -38.680 1.00 1.00 C ATOM 393 CD1 TYR A 26 30.439 11.785 -37.689 1.00 1.00 C ATOM 394 CD2 TYR A 26 30.958 13.631 -39.205 1.00 1.00 C ATOM 395 CE1 TYR A 26 31.771 11.792 -37.224 1.00 1.00 C ATOM 396 CE2 TYR A 26 32.290 13.637 -38.740 1.00 1.00 C ATOM 397 CZ TYR A 26 32.698 12.718 -37.748 1.00 1.00 C ATOM 398 OH TYR A 26 33.987 12.722 -37.295 1.00 1.00 O ATOM 0 H TYR A 26 28.546 9.664 -38.276 1.00 1.00 H new ATOM 0 HA TYR A 26 27.777 11.654 -37.496 1.00 1.00 H new ATOM 0 HB2 TYR A 26 28.596 12.589 -40.265 1.00 1.00 H new ATOM 0 HB3 TYR A 26 28.130 13.655 -38.955 1.00 1.00 H new ATOM 0 HD1 TYR A 26 29.732 11.074 -37.287 1.00 1.00 H new ATOM 0 HD2 TYR A 26 30.649 14.335 -39.964 1.00 1.00 H new ATOM 0 HE1 TYR A 26 32.082 11.088 -36.466 1.00 1.00 H new ATOM 0 HE2 TYR A 26 32.999 14.345 -39.143 1.00 1.00 H new ATOM 0 HH TYR A 26 34.495 13.420 -37.759 1.00 1.00 H new ATOM 408 N ILE A 27 25.340 11.753 -37.992 1.00 1.00 N ATOM 409 CA ILE A 27 23.916 11.878 -38.253 1.00 1.00 C ATOM 410 C ILE A 27 23.416 13.213 -37.697 1.00 1.00 C ATOM 411 O ILE A 27 22.196 13.364 -37.535 1.00 1.00 O ATOM 412 CB ILE A 27 23.163 10.664 -37.706 1.00 1.00 C ATOM 413 CG1 ILE A 27 23.942 9.373 -37.966 1.00 1.00 C ATOM 414 CG2 ILE A 27 21.743 10.600 -38.270 1.00 1.00 C ATOM 415 CD1 ILE A 27 24.618 8.873 -36.688 1.00 1.00 C ATOM 0 H ILE A 27 25.581 11.693 -37.003 1.00 1.00 H new ATOM 0 HA ILE A 27 23.724 11.887 -39.326 1.00 1.00 H new ATOM 0 HB ILE A 27 23.075 10.775 -36.625 1.00 1.00 H new ATOM 0 HG12 ILE A 27 23.267 8.607 -38.348 1.00 1.00 H new ATOM 0 HG13 ILE A 27 24.694 9.547 -38.735 1.00 1.00 H new ATOM 0 HG21 ILE A 27 21.230 9.728 -37.865 1.00 1.00 H new ATOM 0 HG22 ILE A 27 21.200 11.503 -37.991 1.00 1.00 H new ATOM 0 HG23 ILE A 27 21.786 10.524 -39.356 1.00 1.00 H new ATOM 0 HD11 ILE A 27 25.165 7.954 -36.901 1.00 1.00 H new ATOM 0 HD12 ILE A 27 25.311 9.631 -36.322 1.00 1.00 H new ATOM 0 HD13 ILE A 27 23.861 8.677 -35.929 1.00 1.00 H new ATOM 427 N THR A 28 24.351 14.140 -37.423 1.00 1.00 N ATOM 428 CA THR A 28 24.007 15.448 -36.892 1.00 1.00 C ATOM 429 C THR A 28 22.960 15.286 -35.788 1.00 1.00 C ATOM 430 O THR A 28 21.843 15.798 -35.954 1.00 1.00 O ATOM 431 CB THR A 28 23.540 16.337 -38.046 1.00 1.00 C ATOM 432 OG1 THR A 28 24.732 16.612 -38.777 1.00 1.00 O ATOM 433 CG2 THR A 28 23.067 17.712 -37.572 1.00 1.00 C ATOM 0 H THR A 28 25.351 13.996 -37.565 1.00 1.00 H new ATOM 0 HA THR A 28 24.869 15.935 -36.436 1.00 1.00 H new ATOM 0 HB THR A 28 22.731 15.841 -38.582 1.00 1.00 H new ATOM 0 HG1 THR A 28 24.520 17.182 -39.545 1.00 1.00 H new ATOM 0 HG21 THR A 28 22.747 18.302 -38.430 1.00 1.00 H new ATOM 0 HG22 THR A 28 22.232 17.592 -36.882 1.00 1.00 H new ATOM 0 HG23 THR A 28 23.885 18.223 -37.065 1.00 1.00 H new ATOM 441 N ARG A 29 23.334 14.587 -34.701 1.00 1.00 N ATOM 442 CA ARG A 29 22.434 14.362 -33.583 1.00 1.00 C ATOM 443 C ARG A 29 22.600 15.491 -32.564 1.00 1.00 C ATOM 444 O ARG A 29 23.420 16.388 -32.807 1.00 1.00 O ATOM 445 CB ARG A 29 22.710 13.022 -32.898 1.00 1.00 C ATOM 446 CG ARG A 29 22.368 11.852 -33.824 1.00 1.00 C ATOM 447 CD ARG A 29 20.858 11.753 -34.047 1.00 1.00 C ATOM 448 NE ARG A 29 20.369 10.425 -33.614 1.00 1.00 N ATOM 449 CZ ARG A 29 20.435 9.309 -34.371 1.00 1.00 C ATOM 450 NH1 ARG A 29 20.974 9.387 -35.596 1.00 1.00 N ATOM 451 NH2 ARG A 29 19.969 8.142 -33.906 1.00 1.00 N ATOM 0 H ARG A 29 24.258 14.172 -34.584 1.00 1.00 H new ATOM 0 HA ARG A 29 21.415 14.343 -33.969 1.00 1.00 H new ATOM 0 HB2 ARG A 29 23.759 12.967 -32.609 1.00 1.00 H new ATOM 0 HB3 ARG A 29 22.123 12.950 -31.983 1.00 1.00 H new ATOM 0 HG2 ARG A 29 22.873 11.982 -34.781 1.00 1.00 H new ATOM 0 HG3 ARG A 29 22.737 10.922 -33.392 1.00 1.00 H new ATOM 0 HD2 ARG A 29 20.347 12.538 -33.489 1.00 1.00 H new ATOM 0 HD3 ARG A 29 20.627 11.909 -35.101 1.00 1.00 H new ATOM 0 HE ARG A 29 19.956 10.348 -32.685 1.00 1.00 H new ATOM 0 HH11 ARG A 29 21.326 10.279 -35.942 1.00 1.00 H new ATOM 0 HH12 ARG A 29 21.032 8.554 -36.182 1.00 1.00 H new ATOM 0 HH21 ARG A 29 19.560 8.092 -32.973 1.00 1.00 H new ATOM 0 HH22 ARG A 29 20.023 7.304 -34.485 1.00 1.00 H new ATOM 465 N TYR A 30 21.831 15.426 -31.462 1.00 1.00 N ATOM 466 CA TYR A 30 21.938 16.471 -30.458 1.00 1.00 C ATOM 467 C TYR A 30 22.143 15.832 -29.083 1.00 1.00 C ATOM 468 O TYR A 30 21.664 14.705 -28.887 1.00 1.00 O ATOM 469 CB TYR A 30 20.682 17.361 -30.495 1.00 1.00 C ATOM 470 CG TYR A 30 20.445 18.063 -31.825 1.00 1.00 C ATOM 471 CD1 TYR A 30 20.103 17.318 -32.977 1.00 1.00 C ATOM 472 CD2 TYR A 30 20.573 19.468 -31.915 1.00 1.00 C ATOM 473 CE1 TYR A 30 19.888 17.973 -34.208 1.00 1.00 C ATOM 474 CE2 TYR A 30 20.357 20.123 -33.146 1.00 1.00 C ATOM 475 CZ TYR A 30 20.014 19.377 -34.294 1.00 1.00 C ATOM 476 OH TYR A 30 19.805 20.015 -35.483 1.00 1.00 O ATOM 0 H TYR A 30 21.157 14.688 -31.258 1.00 1.00 H new ATOM 0 HA TYR A 30 22.798 17.107 -30.667 1.00 1.00 H new ATOM 0 HB2 TYR A 30 19.811 16.749 -30.262 1.00 1.00 H new ATOM 0 HB3 TYR A 30 20.762 18.114 -29.711 1.00 1.00 H new ATOM 0 HD1 TYR A 30 20.006 16.244 -32.914 1.00 1.00 H new ATOM 0 HD2 TYR A 30 20.837 20.042 -31.039 1.00 1.00 H new ATOM 0 HE1 TYR A 30 19.627 17.400 -35.085 1.00 1.00 H new ATOM 0 HE2 TYR A 30 20.454 21.197 -33.210 1.00 1.00 H new ATOM 0 HH TYR A 30 19.460 20.917 -35.314 1.00 1.00 H new ATOM 486 N PHE A 31 22.842 16.540 -28.179 1.00 1.00 N ATOM 487 CA PHE A 31 23.111 16.033 -26.844 1.00 1.00 C ATOM 488 C PHE A 31 23.245 17.209 -25.874 1.00 1.00 C ATOM 489 O PHE A 31 23.866 18.214 -26.249 1.00 1.00 O ATOM 490 CB PHE A 31 24.404 15.195 -26.870 1.00 1.00 C ATOM 491 CG PHE A 31 25.689 16.007 -26.777 1.00 1.00 C ATOM 492 CD1 PHE A 31 26.184 16.684 -27.915 1.00 1.00 C ATOM 493 CD2 PHE A 31 26.391 16.096 -25.552 1.00 1.00 C ATOM 494 CE1 PHE A 31 27.372 17.441 -27.831 1.00 1.00 C ATOM 495 CE2 PHE A 31 27.579 16.853 -25.468 1.00 1.00 C ATOM 496 CZ PHE A 31 28.070 17.525 -26.608 1.00 1.00 C ATOM 0 H PHE A 31 23.227 17.467 -28.360 1.00 1.00 H new ATOM 0 HA PHE A 31 22.290 15.398 -26.510 1.00 1.00 H new ATOM 0 HB2 PHE A 31 24.378 14.485 -26.043 1.00 1.00 H new ATOM 0 HB3 PHE A 31 24.424 14.611 -27.790 1.00 1.00 H new ATOM 0 HD1 PHE A 31 25.651 16.622 -28.852 1.00 1.00 H new ATOM 0 HD2 PHE A 31 26.017 15.583 -24.678 1.00 1.00 H new ATOM 0 HE1 PHE A 31 27.747 17.956 -28.703 1.00 1.00 H new ATOM 0 HE2 PHE A 31 28.113 16.918 -24.531 1.00 1.00 H new ATOM 0 HZ PHE A 31 28.980 18.103 -26.544 1.00 1.00 H new ATOM 506 N TYR A 32 22.670 17.062 -24.667 1.00 1.00 N ATOM 507 CA TYR A 32 22.758 18.144 -23.702 1.00 1.00 C ATOM 508 C TYR A 32 24.171 18.187 -23.117 1.00 1.00 C ATOM 509 O TYR A 32 24.532 17.245 -22.397 1.00 1.00 O ATOM 510 CB TYR A 32 21.691 17.956 -22.608 1.00 1.00 C ATOM 511 CG TYR A 32 21.411 19.200 -21.777 1.00 1.00 C ATOM 512 CD1 TYR A 32 20.513 20.187 -22.246 1.00 1.00 C ATOM 513 CD2 TYR A 32 22.055 19.378 -20.531 1.00 1.00 C ATOM 514 CE1 TYR A 32 20.260 21.341 -21.474 1.00 1.00 C ATOM 515 CE2 TYR A 32 21.801 20.531 -19.759 1.00 1.00 C ATOM 516 CZ TYR A 32 20.903 21.514 -20.229 1.00 1.00 C ATOM 517 OH TYR A 32 20.660 22.628 -19.478 1.00 1.00 O ATOM 0 H TYR A 32 22.161 16.235 -24.355 1.00 1.00 H new ATOM 0 HA TYR A 32 22.564 19.099 -24.190 1.00 1.00 H new ATOM 0 HB2 TYR A 32 20.762 17.631 -23.077 1.00 1.00 H new ATOM 0 HB3 TYR A 32 22.009 17.154 -21.942 1.00 1.00 H new ATOM 0 HD1 TYR A 32 20.019 20.057 -23.198 1.00 1.00 H new ATOM 0 HD2 TYR A 32 22.744 18.629 -20.169 1.00 1.00 H new ATOM 0 HE1 TYR A 32 19.574 22.092 -21.836 1.00 1.00 H new ATOM 0 HE2 TYR A 32 22.294 20.662 -18.807 1.00 1.00 H new ATOM 0 HH TYR A 32 21.050 23.411 -19.919 1.00 1.00 H new ATOM 527 N ASN A 33 24.931 19.250 -23.437 1.00 1.00 N ATOM 528 CA ASN A 33 26.293 19.396 -22.952 1.00 1.00 C ATOM 529 C ASN A 33 26.294 20.287 -21.708 1.00 1.00 C ATOM 530 O ASN A 33 25.908 21.459 -21.822 1.00 1.00 O ATOM 531 CB ASN A 33 27.186 20.055 -24.006 1.00 1.00 C ATOM 532 CG ASN A 33 28.654 19.681 -23.792 1.00 1.00 C ATOM 533 OD1 ASN A 33 29.021 19.025 -22.831 1.00 1.00 O ATOM 534 ND2 ASN A 33 29.471 20.135 -24.738 1.00 1.00 N ATOM 0 H ASN A 33 24.614 20.016 -24.031 1.00 1.00 H new ATOM 0 HA ASN A 33 26.678 18.402 -22.724 1.00 1.00 H new ATOM 0 HB2 ASN A 33 26.869 19.745 -25.002 1.00 1.00 H new ATOM 0 HB3 ASN A 33 27.072 21.138 -23.959 1.00 1.00 H new ATOM 0 HD21 ASN A 33 30.471 19.940 -24.685 1.00 1.00 H new ATOM 0 HD22 ASN A 33 29.098 20.679 -25.516 1.00 1.00 H new ATOM 541 N ASN A 34 26.720 19.723 -20.563 1.00 1.00 N ATOM 542 CA ASN A 34 26.769 20.461 -19.313 1.00 1.00 C ATOM 543 C ASN A 34 27.796 21.589 -19.432 1.00 1.00 C ATOM 544 O ASN A 34 27.597 22.637 -18.799 1.00 1.00 O ATOM 545 CB ASN A 34 27.194 19.555 -18.155 1.00 1.00 C ATOM 546 CG ASN A 34 27.561 20.380 -16.920 1.00 1.00 C ATOM 547 OD1 ASN A 34 28.829 20.781 -16.895 1.00 1.00 O flip ATOM 548 ND2 ASN A 34 26.748 20.635 -16.048 1.00 1.00 N flip ATOM 0 H ASN A 34 27.034 18.755 -20.490 1.00 1.00 H new ATOM 0 HA ASN A 34 25.773 20.856 -19.115 1.00 1.00 H new ATOM 0 HB2 ASN A 34 26.384 18.868 -17.910 1.00 1.00 H new ATOM 0 HB3 ASN A 34 28.047 18.948 -18.458 1.00 1.00 H new ATOM 0 HD21 ASN A 34 25.789 20.296 -16.129 1.00 1.00 H new ATOM 0 HD22 ASN A 34 27.026 21.188 -15.237 1.00 1.00 H new ATOM 555 N GLN A 35 28.856 21.358 -20.227 1.00 1.00 N ATOM 556 CA GLN A 35 29.901 22.348 -20.424 1.00 1.00 C ATOM 557 C GLN A 35 29.264 23.691 -20.785 1.00 1.00 C ATOM 558 O GLN A 35 29.792 24.728 -20.357 1.00 1.00 O ATOM 559 CB GLN A 35 30.897 21.907 -21.499 1.00 1.00 C ATOM 560 CG GLN A 35 32.333 22.233 -21.083 1.00 1.00 C ATOM 561 CD GLN A 35 33.332 21.325 -21.803 1.00 1.00 C ATOM 562 OE1 GLN A 35 33.831 20.353 -21.259 1.00 1.00 O ATOM 563 NE2 GLN A 35 33.595 21.694 -23.053 1.00 1.00 N ATOM 0 H GLN A 35 29.001 20.488 -20.740 1.00 1.00 H new ATOM 0 HA GLN A 35 30.462 22.454 -19.495 1.00 1.00 H new ATOM 0 HB2 GLN A 35 30.799 20.835 -21.673 1.00 1.00 H new ATOM 0 HB3 GLN A 35 30.665 22.405 -22.441 1.00 1.00 H new ATOM 0 HG2 GLN A 35 32.554 23.276 -21.311 1.00 1.00 H new ATOM 0 HG3 GLN A 35 32.439 22.114 -20.005 1.00 1.00 H new ATOM 0 HE21 GLN A 35 33.142 22.519 -23.447 1.00 1.00 H new ATOM 0 HE22 GLN A 35 34.249 21.152 -23.618 1.00 1.00 H new ATOM 572 N THR A 36 28.160 23.647 -21.552 1.00 1.00 N ATOM 573 CA THR A 36 27.461 24.852 -21.965 1.00 1.00 C ATOM 574 C THR A 36 26.041 24.833 -21.393 1.00 1.00 C ATOM 575 O THR A 36 25.296 25.795 -21.634 1.00 1.00 O ATOM 576 CB THR A 36 27.500 24.941 -23.492 1.00 1.00 C ATOM 577 OG1 THR A 36 26.706 23.839 -23.924 1.00 1.00 O ATOM 578 CG2 THR A 36 28.889 24.646 -24.060 1.00 1.00 C ATOM 0 H THR A 36 27.741 22.782 -21.893 1.00 1.00 H new ATOM 0 HA THR A 36 27.943 25.749 -21.576 1.00 1.00 H new ATOM 0 HB THR A 36 27.184 25.936 -23.806 1.00 1.00 H new ATOM 0 HG1 THR A 36 25.983 24.163 -24.501 1.00 1.00 H new ATOM 0 HG21 THR A 36 28.861 24.723 -25.147 1.00 1.00 H new ATOM 0 HG22 THR A 36 29.605 25.366 -23.664 1.00 1.00 H new ATOM 0 HG23 THR A 36 29.192 23.639 -23.775 1.00 1.00 H new ATOM 586 N LYS A 37 25.701 23.758 -20.661 1.00 1.00 N ATOM 587 CA LYS A 37 24.384 23.619 -20.063 1.00 1.00 C ATOM 588 C LYS A 37 23.316 23.896 -21.123 1.00 1.00 C ATOM 589 O LYS A 37 22.438 24.734 -20.869 1.00 1.00 O ATOM 590 CB LYS A 37 24.264 24.505 -18.821 1.00 1.00 C ATOM 591 CG LYS A 37 24.900 23.832 -17.604 1.00 1.00 C ATOM 592 CD LYS A 37 25.942 24.746 -16.954 1.00 1.00 C ATOM 593 CE LYS A 37 26.924 25.285 -17.996 1.00 1.00 C ATOM 594 NZ LYS A 37 28.306 25.196 -17.496 1.00 1.00 N ATOM 0 H LYS A 37 26.330 22.977 -20.475 1.00 1.00 H new ATOM 0 HA LYS A 37 24.229 22.598 -19.714 1.00 1.00 H new ATOM 0 HB2 LYS A 37 24.749 25.464 -19.006 1.00 1.00 H new ATOM 0 HB3 LYS A 37 23.213 24.713 -18.618 1.00 1.00 H new ATOM 0 HG2 LYS A 37 24.127 23.581 -16.877 1.00 1.00 H new ATOM 0 HG3 LYS A 37 25.370 22.896 -17.906 1.00 1.00 H new ATOM 0 HD2 LYS A 37 25.442 25.577 -16.456 1.00 1.00 H new ATOM 0 HD3 LYS A 37 26.486 24.195 -16.187 1.00 1.00 H new ATOM 0 HE2 LYS A 37 26.829 24.718 -18.922 1.00 1.00 H new ATOM 0 HE3 LYS A 37 26.682 26.322 -18.231 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 28.891 25.920 -17.961 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 28.314 25.353 -16.468 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 28.691 24.253 -17.706 1.00 1.00 H new ATOM 608 N GLN A 38 23.410 23.200 -22.270 1.00 1.00 N ATOM 609 CA GLN A 38 22.459 23.371 -23.354 1.00 1.00 C ATOM 610 C GLN A 38 22.711 22.304 -24.421 1.00 1.00 C ATOM 611 O GLN A 38 23.854 21.837 -24.529 1.00 1.00 O ATOM 612 CB GLN A 38 22.538 24.776 -23.955 1.00 1.00 C ATOM 613 CG GLN A 38 21.237 25.140 -24.673 1.00 1.00 C ATOM 614 CD GLN A 38 21.500 25.502 -26.136 1.00 1.00 C ATOM 615 OE1 GLN A 38 21.310 24.496 -26.985 1.00 1.00 O flip ATOM 616 NE2 GLN A 38 21.852 26.621 -26.472 1.00 1.00 N flip ATOM 0 H GLN A 38 24.141 22.515 -22.459 1.00 1.00 H new ATOM 0 HA GLN A 38 21.451 23.252 -22.956 1.00 1.00 H new ATOM 0 HB2 GLN A 38 22.738 25.502 -23.167 1.00 1.00 H new ATOM 0 HB3 GLN A 38 23.371 24.829 -24.656 1.00 1.00 H new ATOM 0 HG2 GLN A 38 20.542 24.302 -24.621 1.00 1.00 H new ATOM 0 HG3 GLN A 38 20.761 25.980 -24.167 1.00 1.00 H new ATOM 0 HE21 GLN A 38 21.979 27.348 -25.768 1.00 1.00 H new ATOM 0 HE22 GLN A 38 22.019 26.829 -27.457 1.00 1.00 H new ATOM 625 N CYS A 39 21.656 21.944 -25.175 1.00 1.00 N ATOM 626 CA CYS A 39 21.763 20.942 -26.221 1.00 1.00 C ATOM 627 C CYS A 39 22.820 21.382 -27.236 1.00 1.00 C ATOM 628 O CYS A 39 22.738 22.521 -27.717 1.00 1.00 O ATOM 629 CB CYS A 39 20.407 20.688 -26.883 1.00 1.00 C ATOM 630 SG CYS A 39 19.154 19.951 -25.794 1.00 1.00 S ATOM 0 H CYS A 39 20.722 22.341 -25.069 1.00 1.00 H new ATOM 0 HA CYS A 39 22.077 19.995 -25.782 1.00 1.00 H new ATOM 0 HB2 CYS A 39 20.023 21.633 -27.267 1.00 1.00 H new ATOM 0 HB3 CYS A 39 20.554 20.031 -27.740 1.00 1.00 H new ATOM 0 HG CYS A 39 19.367 18.673 -25.690 1.00 1.00 H new ATOM 636 N GLU A 40 23.777 20.485 -27.536 1.00 1.00 N ATOM 637 CA GLU A 40 24.838 20.778 -28.484 1.00 1.00 C ATOM 638 C GLU A 40 24.754 19.799 -29.656 1.00 1.00 C ATOM 639 O GLU A 40 24.687 18.586 -29.408 1.00 1.00 O ATOM 640 CB GLU A 40 26.215 20.723 -27.821 1.00 1.00 C ATOM 641 CG GLU A 40 26.218 21.490 -26.497 1.00 1.00 C ATOM 642 CD GLU A 40 25.837 22.956 -26.713 1.00 1.00 C ATOM 643 OE1 GLU A 40 26.256 23.566 -27.708 1.00 1.00 O ATOM 644 OE2 GLU A 40 25.077 23.462 -25.802 1.00 1.00 O ATOM 0 H GLU A 40 23.827 19.552 -27.128 1.00 1.00 H new ATOM 0 HA GLU A 40 24.705 21.794 -28.854 1.00 1.00 H new ATOM 0 HB2 GLU A 40 26.496 19.685 -27.644 1.00 1.00 H new ATOM 0 HB3 GLU A 40 26.963 21.146 -28.492 1.00 1.00 H new ATOM 0 HG2 GLU A 40 25.517 21.027 -25.802 1.00 1.00 H new ATOM 0 HG3 GLU A 40 27.206 21.431 -26.040 1.00 1.00 H new ATOM 651 N ARG A 41 24.759 20.334 -30.890 1.00 1.00 N ATOM 652 CA ARG A 41 24.684 19.513 -32.087 1.00 1.00 C ATOM 653 C ARG A 41 25.980 18.713 -32.233 1.00 1.00 C ATOM 654 O ARG A 41 27.039 19.333 -32.405 1.00 1.00 O ATOM 655 CB ARG A 41 24.473 20.362 -33.341 1.00 1.00 C ATOM 656 CG ARG A 41 23.206 19.937 -34.085 1.00 1.00 C ATOM 657 CD ARG A 41 22.671 21.077 -34.954 1.00 1.00 C ATOM 658 NE ARG A 41 23.023 20.841 -36.372 1.00 1.00 N ATOM 659 CZ ARG A 41 24.227 21.129 -36.911 1.00 1.00 C ATOM 660 NH1 ARG A 41 25.177 21.661 -36.131 1.00 1.00 N ATOM 661 NH2 ARG A 41 24.468 20.885 -38.206 1.00 1.00 N ATOM 0 H ARG A 41 24.815 21.336 -31.073 1.00 1.00 H new ATOM 0 HA ARG A 41 23.831 18.843 -31.984 1.00 1.00 H new ATOM 0 HB2 ARG A 41 24.401 21.414 -33.064 1.00 1.00 H new ATOM 0 HB3 ARG A 41 25.336 20.264 -34.000 1.00 1.00 H new ATOM 0 HG2 ARG A 41 23.420 19.069 -34.709 1.00 1.00 H new ATOM 0 HG3 ARG A 41 22.444 19.633 -33.368 1.00 1.00 H new ATOM 0 HD2 ARG A 41 21.589 21.150 -34.847 1.00 1.00 H new ATOM 0 HD3 ARG A 41 23.089 22.027 -34.620 1.00 1.00 H new ATOM 0 HE ARG A 41 22.312 20.435 -36.980 1.00 1.00 H new ATOM 0 HH11 ARG A 41 24.985 21.843 -35.146 1.00 1.00 H new ATOM 0 HH12 ARG A 41 26.092 21.885 -36.522 1.00 1.00 H new ATOM 0 HH21 ARG A 41 23.739 20.479 -38.793 1.00 1.00 H new ATOM 0 HH22 ARG A 41 25.380 21.106 -38.605 1.00 1.00 H new ATOM 675 N PHE A 42 25.872 17.374 -32.162 1.00 1.00 N ATOM 676 CA PHE A 42 27.027 16.501 -32.286 1.00 1.00 C ATOM 677 C PHE A 42 26.693 15.352 -33.239 1.00 1.00 C ATOM 678 O PHE A 42 25.550 14.872 -33.206 1.00 1.00 O ATOM 679 CB PHE A 42 27.408 15.963 -30.893 1.00 1.00 C ATOM 680 CG PHE A 42 26.685 14.686 -30.486 1.00 1.00 C ATOM 681 CD1 PHE A 42 25.291 14.705 -30.253 1.00 1.00 C ATOM 682 CD2 PHE A 42 27.401 13.474 -30.345 1.00 1.00 C ATOM 683 CE1 PHE A 42 24.618 13.522 -29.880 1.00 1.00 C ATOM 684 CE2 PHE A 42 26.726 12.291 -29.972 1.00 1.00 C ATOM 685 CZ PHE A 42 25.335 12.315 -29.739 1.00 1.00 C ATOM 0 H PHE A 42 24.989 16.883 -32.019 1.00 1.00 H new ATOM 0 HA PHE A 42 27.875 17.054 -32.691 1.00 1.00 H new ATOM 0 HB2 PHE A 42 28.482 15.779 -30.870 1.00 1.00 H new ATOM 0 HB3 PHE A 42 27.201 16.734 -30.151 1.00 1.00 H new ATOM 0 HD1 PHE A 42 24.739 15.627 -30.361 1.00 1.00 H new ATOM 0 HD2 PHE A 42 28.466 13.453 -30.523 1.00 1.00 H new ATOM 0 HE1 PHE A 42 23.553 13.541 -29.702 1.00 1.00 H new ATOM 0 HE2 PHE A 42 27.275 11.367 -29.865 1.00 1.00 H new ATOM 0 HZ PHE A 42 24.819 11.410 -29.453 1.00 1.00 H new ATOM 695 N LYS A 43 27.679 14.941 -34.056 1.00 1.00 N ATOM 696 CA LYS A 43 27.490 13.859 -35.008 1.00 1.00 C ATOM 697 C LYS A 43 27.512 12.522 -34.264 1.00 1.00 C ATOM 698 O LYS A 43 28.483 12.268 -33.537 1.00 1.00 O ATOM 699 CB LYS A 43 28.519 13.953 -36.136 1.00 1.00 C ATOM 700 CG LYS A 43 29.833 14.553 -35.631 1.00 1.00 C ATOM 701 CD LYS A 43 29.852 16.071 -35.826 1.00 1.00 C ATOM 702 CE LYS A 43 31.052 16.500 -36.672 1.00 1.00 C ATOM 703 NZ LYS A 43 31.434 17.887 -36.359 1.00 1.00 N ATOM 0 H LYS A 43 28.613 15.350 -34.067 1.00 1.00 H new ATOM 0 HA LYS A 43 26.516 13.940 -35.490 1.00 1.00 H new ATOM 0 HB2 LYS A 43 28.703 12.961 -36.549 1.00 1.00 H new ATOM 0 HB3 LYS A 43 28.122 14.566 -36.945 1.00 1.00 H new ATOM 0 HG2 LYS A 43 29.963 14.317 -34.575 1.00 1.00 H new ATOM 0 HG3 LYS A 43 30.671 14.104 -36.164 1.00 1.00 H new ATOM 0 HD2 LYS A 43 28.929 16.391 -36.309 1.00 1.00 H new ATOM 0 HD3 LYS A 43 29.891 16.565 -34.855 1.00 1.00 H new ATOM 0 HE2 LYS A 43 31.894 15.834 -36.484 1.00 1.00 H new ATOM 0 HE3 LYS A 43 30.807 16.414 -37.731 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 32.250 18.162 -36.942 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 30.635 18.521 -36.561 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 31.687 17.959 -35.353 1.00 1.00 H new ATOM 717 N TYR A 44 26.460 11.707 -34.459 1.00 1.00 N ATOM 718 CA TYR A 44 26.418 10.424 -33.778 1.00 1.00 C ATOM 719 C TYR A 44 27.026 9.351 -34.683 1.00 1.00 C ATOM 720 O TYR A 44 26.361 8.329 -34.903 1.00 1.00 O ATOM 721 CB TYR A 44 24.968 10.089 -33.385 1.00 1.00 C ATOM 722 CG TYR A 44 24.760 8.662 -32.896 1.00 1.00 C ATOM 723 CD1 TYR A 44 25.852 7.924 -32.386 1.00 1.00 C ATOM 724 CD2 TYR A 44 23.477 8.069 -32.942 1.00 1.00 C ATOM 725 CE1 TYR A 44 25.664 6.602 -31.928 1.00 1.00 C ATOM 726 CE2 TYR A 44 23.289 6.748 -32.485 1.00 1.00 C ATOM 727 CZ TYR A 44 24.383 6.012 -31.978 1.00 1.00 C ATOM 728 OH TYR A 44 24.205 4.733 -31.535 1.00 1.00 O ATOM 0 H TYR A 44 25.662 11.912 -35.060 1.00 1.00 H new ATOM 0 HA TYR A 44 27.006 10.465 -32.861 1.00 1.00 H new ATOM 0 HB2 TYR A 44 24.649 10.778 -32.603 1.00 1.00 H new ATOM 0 HB3 TYR A 44 24.322 10.262 -34.246 1.00 1.00 H new ATOM 0 HD1 TYR A 44 26.834 8.373 -32.347 1.00 1.00 H new ATOM 0 HD2 TYR A 44 22.638 8.629 -33.328 1.00 1.00 H new ATOM 0 HE1 TYR A 44 26.501 6.042 -31.539 1.00 1.00 H new ATOM 0 HE2 TYR A 44 22.308 6.299 -32.523 1.00 1.00 H new ATOM 0 HH TYR A 44 23.264 4.479 -31.638 1.00 1.00 H new ATOM 789 N ASN A 50 26.844 5.584 -25.949 1.00 1.00 N ATOM 790 CA ASN A 50 26.224 5.931 -24.681 1.00 1.00 C ATOM 791 C ASN A 50 24.821 6.484 -24.939 1.00 1.00 C ATOM 792 O ASN A 50 24.187 6.053 -25.913 1.00 1.00 O ATOM 793 CB ASN A 50 27.030 7.007 -23.950 1.00 1.00 C ATOM 794 CG ASN A 50 26.808 8.383 -24.583 1.00 1.00 C ATOM 795 OD1 ASN A 50 26.098 8.536 -25.563 1.00 1.00 O ATOM 796 ND2 ASN A 50 27.451 9.371 -23.968 1.00 1.00 N ATOM 0 HA ASN A 50 26.185 5.031 -24.067 1.00 1.00 H new ATOM 0 HB2 ASN A 50 26.739 7.034 -22.900 1.00 1.00 H new ATOM 0 HB3 ASN A 50 28.090 6.756 -23.980 1.00 1.00 H new ATOM 0 HD21 ASN A 50 27.366 10.327 -24.313 1.00 1.00 H new ATOM 0 HD22 ASN A 50 28.029 9.173 -23.152 1.00 1.00 H new ATOM 803 N MET A 51 24.372 7.412 -24.075 1.00 1.00 N ATOM 804 CA MET A 51 23.057 8.016 -24.209 1.00 1.00 C ATOM 805 C MET A 51 23.204 9.427 -24.781 1.00 1.00 C ATOM 806 O MET A 51 23.979 9.599 -25.734 1.00 1.00 O ATOM 807 CB MET A 51 22.364 8.087 -22.847 1.00 1.00 C ATOM 808 CG MET A 51 22.499 6.763 -22.093 1.00 1.00 C ATOM 809 SD MET A 51 21.454 5.496 -22.871 1.00 1.00 S ATOM 810 CE MET A 51 20.209 5.269 -21.567 1.00 1.00 C ATOM 0 H MET A 51 24.910 7.753 -23.279 1.00 1.00 H new ATOM 0 HA MET A 51 22.453 7.406 -24.880 1.00 1.00 H new ATOM 0 HB2 MET A 51 22.799 8.892 -22.255 1.00 1.00 H new ATOM 0 HB3 MET A 51 21.309 8.326 -22.984 1.00 1.00 H new ATOM 0 HG2 MET A 51 23.540 6.439 -22.094 1.00 1.00 H new ATOM 0 HG3 MET A 51 22.208 6.897 -21.051 1.00 1.00 H new ATOM 0 HE1 MET A 51 19.484 4.519 -21.883 1.00 1.00 H new ATOM 0 HE2 MET A 51 20.698 4.938 -20.651 1.00 1.00 H new ATOM 0 HE3 MET A 51 19.697 6.214 -21.384 1.00 1.00 H new ATOM 820 N ASN A 52 22.470 10.393 -24.200 1.00 1.00 N ATOM 821 CA ASN A 52 22.519 11.773 -24.649 1.00 1.00 C ATOM 822 C ASN A 52 22.819 11.807 -26.149 1.00 1.00 C ATOM 823 O ASN A 52 23.845 12.389 -26.532 1.00 1.00 O ATOM 824 CB ASN A 52 23.624 12.549 -23.928 1.00 1.00 C ATOM 825 CG ASN A 52 23.340 14.052 -23.948 1.00 1.00 C ATOM 826 OD1 ASN A 52 22.322 14.512 -24.438 1.00 1.00 O ATOM 827 ND2 ASN A 52 24.295 14.790 -23.388 1.00 1.00 N ATOM 0 H ASN A 52 21.837 10.230 -23.417 1.00 1.00 H new ATOM 0 HA ASN A 52 21.555 12.232 -24.431 1.00 1.00 H new ATOM 0 HB2 ASN A 52 23.703 12.204 -22.897 1.00 1.00 H new ATOM 0 HB3 ASN A 52 24.584 12.350 -24.405 1.00 1.00 H new ATOM 0 HD21 ASN A 52 24.199 15.805 -23.351 1.00 1.00 H new ATOM 0 HD22 ASN A 52 25.123 14.341 -22.996 1.00 1.00 H new ATOM 834 N ASN A 53 21.934 11.192 -26.954 1.00 1.00 N ATOM 835 CA ASN A 53 22.104 11.153 -28.397 1.00 1.00 C ATOM 836 C ASN A 53 20.757 11.417 -29.072 1.00 1.00 C ATOM 837 O ASN A 53 20.270 10.526 -29.784 1.00 1.00 O ATOM 838 CB ASN A 53 22.602 9.780 -28.855 1.00 1.00 C ATOM 839 CG ASN A 53 22.462 9.625 -30.371 1.00 1.00 C ATOM 840 OD1 ASN A 53 23.080 10.329 -31.153 1.00 1.00 O ATOM 841 ND2 ASN A 53 21.619 8.665 -30.741 1.00 1.00 N ATOM 0 H ASN A 53 21.096 10.718 -26.618 1.00 1.00 H new ATOM 0 HA ASN A 53 22.836 11.913 -28.672 1.00 1.00 H new ATOM 0 HB2 ASN A 53 23.646 9.653 -28.567 1.00 1.00 H new ATOM 0 HB3 ASN A 53 22.035 8.997 -28.352 1.00 1.00 H new ATOM 0 HD21 ASN A 53 21.458 8.482 -31.731 1.00 1.00 H new ATOM 0 HD22 ASN A 53 21.134 8.112 -30.034 1.00 1.00 H new ATOM 848 N PHE A 54 20.192 12.615 -28.840 1.00 1.00 N ATOM 849 CA PHE A 54 18.914 12.989 -29.422 1.00 1.00 C ATOM 850 C PHE A 54 19.082 13.181 -30.930 1.00 1.00 C ATOM 851 O PHE A 54 20.186 12.932 -31.437 1.00 1.00 O ATOM 852 CB PHE A 54 18.414 14.286 -28.757 1.00 1.00 C ATOM 853 CG PHE A 54 18.266 14.209 -27.243 1.00 1.00 C ATOM 854 CD1 PHE A 54 17.059 13.743 -26.673 1.00 1.00 C ATOM 855 CD2 PHE A 54 19.334 14.594 -26.400 1.00 1.00 C ATOM 856 CE1 PHE A 54 16.920 13.666 -25.271 1.00 1.00 C ATOM 857 CE2 PHE A 54 19.195 14.516 -24.998 1.00 1.00 C ATOM 858 CZ PHE A 54 17.988 14.052 -24.433 1.00 1.00 C ATOM 0 H PHE A 54 20.610 13.335 -28.250 1.00 1.00 H new ATOM 0 HA PHE A 54 18.178 12.203 -29.252 1.00 1.00 H new ATOM 0 HB2 PHE A 54 19.105 15.093 -29.000 1.00 1.00 H new ATOM 0 HB3 PHE A 54 17.449 14.552 -29.190 1.00 1.00 H new ATOM 0 HD1 PHE A 54 16.241 13.445 -27.312 1.00 1.00 H new ATOM 0 HD2 PHE A 54 20.259 14.949 -26.830 1.00 1.00 H new ATOM 0 HE1 PHE A 54 15.996 13.311 -24.839 1.00 1.00 H new ATOM 0 HE2 PHE A 54 20.013 14.811 -24.357 1.00 1.00 H new ATOM 0 HZ PHE A 54 17.882 13.992 -23.360 1.00 1.00 H new ATOM 868 N GLU A 55 18.003 13.614 -31.606 1.00 1.00 N ATOM 869 CA GLU A 55 18.032 13.837 -33.042 1.00 1.00 C ATOM 870 C GLU A 55 17.792 15.320 -33.328 1.00 1.00 C ATOM 871 O GLU A 55 18.352 15.829 -34.310 1.00 1.00 O ATOM 872 CB GLU A 55 17.004 12.965 -33.766 1.00 1.00 C ATOM 873 CG GLU A 55 17.296 11.479 -33.550 1.00 1.00 C ATOM 874 CD GLU A 55 16.931 10.662 -34.792 1.00 1.00 C ATOM 875 OE1 GLU A 55 17.467 10.916 -35.880 1.00 1.00 O ATOM 876 OE2 GLU A 55 16.057 9.734 -34.596 1.00 1.00 O ATOM 0 H GLU A 55 17.103 13.814 -31.169 1.00 1.00 H new ATOM 0 HA GLU A 55 19.013 13.552 -33.421 1.00 1.00 H new ATOM 0 HB2 GLU A 55 16.003 13.199 -33.403 1.00 1.00 H new ATOM 0 HB3 GLU A 55 17.017 13.191 -34.832 1.00 1.00 H new ATOM 0 HG2 GLU A 55 18.352 11.342 -33.318 1.00 1.00 H new ATOM 0 HG3 GLU A 55 16.731 11.115 -32.692 1.00 1.00 H new ATOM 883 N THR A 56 16.978 15.974 -32.480 1.00 1.00 N ATOM 884 CA THR A 56 16.669 17.384 -32.642 1.00 1.00 C ATOM 885 C THR A 56 16.964 18.120 -31.333 1.00 1.00 C ATOM 886 O THR A 56 16.833 17.501 -30.267 1.00 1.00 O ATOM 887 CB THR A 56 15.215 17.517 -33.100 1.00 1.00 C ATOM 888 OG1 THR A 56 14.580 16.352 -32.580 1.00 1.00 O ATOM 889 CG2 THR A 56 15.064 17.379 -34.616 1.00 1.00 C ATOM 0 H THR A 56 16.527 15.536 -31.677 1.00 1.00 H new ATOM 0 HA THR A 56 17.293 17.846 -33.407 1.00 1.00 H new ATOM 0 HB THR A 56 14.821 18.483 -32.783 1.00 1.00 H new ATOM 0 HG1 THR A 56 13.632 16.358 -32.829 1.00 1.00 H new ATOM 0 HG21 THR A 56 14.013 17.481 -34.888 1.00 1.00 H new ATOM 0 HG22 THR A 56 15.644 18.157 -35.112 1.00 1.00 H new ATOM 0 HG23 THR A 56 15.426 16.400 -34.930 1.00 1.00 H new ATOM 897 N LEU A 57 17.349 19.404 -31.437 1.00 1.00 N ATOM 898 CA LEU A 57 17.658 20.213 -30.270 1.00 1.00 C ATOM 899 C LEU A 57 16.419 20.305 -29.376 1.00 1.00 C ATOM 900 O LEU A 57 16.564 20.171 -28.153 1.00 1.00 O ATOM 901 CB LEU A 57 18.213 21.574 -30.694 1.00 1.00 C ATOM 902 CG LEU A 57 18.901 22.388 -29.596 1.00 1.00 C ATOM 903 CD1 LEU A 57 20.405 22.110 -29.569 1.00 1.00 C ATOM 904 CD2 LEU A 57 18.597 23.880 -29.748 1.00 1.00 C ATOM 0 H LEU A 57 17.450 19.895 -32.325 1.00 1.00 H new ATOM 0 HA LEU A 57 18.444 19.744 -29.678 1.00 1.00 H new ATOM 0 HB2 LEU A 57 18.926 21.418 -31.504 1.00 1.00 H new ATOM 0 HB3 LEU A 57 17.394 22.168 -31.100 1.00 1.00 H new ATOM 0 HG LEU A 57 18.498 22.073 -28.634 1.00 1.00 H new ATOM 0 HD11 LEU A 57 20.870 22.701 -28.780 1.00 1.00 H new ATOM 0 HD12 LEU A 57 20.576 21.051 -29.378 1.00 1.00 H new ATOM 0 HD13 LEU A 57 20.842 22.380 -30.530 1.00 1.00 H new ATOM 0 HD21 LEU A 57 19.098 24.436 -28.955 1.00 1.00 H new ATOM 0 HD22 LEU A 57 18.955 24.227 -30.717 1.00 1.00 H new ATOM 0 HD23 LEU A 57 17.521 24.041 -29.680 1.00 1.00 H new ATOM 916 N GLU A 58 15.246 20.527 -29.995 1.00 1.00 N ATOM 917 CA GLU A 58 13.997 20.635 -29.260 1.00 1.00 C ATOM 918 C GLU A 58 13.757 19.342 -28.478 1.00 1.00 C ATOM 919 O GLU A 58 13.278 19.423 -27.337 1.00 1.00 O ATOM 920 CB GLU A 58 12.821 20.938 -30.191 1.00 1.00 C ATOM 921 CG GLU A 58 11.852 21.931 -29.546 1.00 1.00 C ATOM 922 CD GLU A 58 10.671 22.225 -30.472 1.00 1.00 C ATOM 923 OE1 GLU A 58 10.870 22.702 -31.599 1.00 1.00 O ATOM 924 OE2 GLU A 58 9.511 21.939 -29.984 1.00 1.00 O ATOM 0 H GLU A 58 15.149 20.634 -31.005 1.00 1.00 H new ATOM 0 HA GLU A 58 14.073 21.469 -28.563 1.00 1.00 H new ATOM 0 HB2 GLU A 58 13.193 21.346 -31.131 1.00 1.00 H new ATOM 0 HB3 GLU A 58 12.295 20.014 -30.430 1.00 1.00 H new ATOM 0 HG2 GLU A 58 11.487 21.527 -28.602 1.00 1.00 H new ATOM 0 HG3 GLU A 58 12.376 22.858 -29.314 1.00 1.00 H new ATOM 931 N GLU A 59 14.087 18.194 -29.096 1.00 1.00 N ATOM 932 CA GLU A 59 13.909 16.899 -28.462 1.00 1.00 C ATOM 933 C GLU A 59 14.901 16.761 -27.305 1.00 1.00 C ATOM 934 O GLU A 59 14.487 16.320 -26.223 1.00 1.00 O ATOM 935 CB GLU A 59 14.073 15.755 -29.464 1.00 1.00 C ATOM 936 CG GLU A 59 12.972 14.707 -29.287 1.00 1.00 C ATOM 937 CD GLU A 59 12.318 14.367 -30.627 1.00 1.00 C ATOM 938 OE1 GLU A 59 12.844 13.533 -31.380 1.00 1.00 O ATOM 939 OE2 GLU A 59 11.223 15.002 -30.877 1.00 1.00 O ATOM 0 H GLU A 59 14.479 18.149 -30.037 1.00 1.00 H new ATOM 0 HA GLU A 59 12.892 16.837 -28.074 1.00 1.00 H new ATOM 0 HB2 GLU A 59 14.044 16.150 -30.480 1.00 1.00 H new ATOM 0 HB3 GLU A 59 15.049 15.288 -29.331 1.00 1.00 H new ATOM 0 HG2 GLU A 59 13.392 13.804 -28.844 1.00 1.00 H new ATOM 0 HG3 GLU A 59 12.218 15.080 -28.594 1.00 1.00 H new ATOM 946 N CYS A 60 16.169 17.134 -27.552 1.00 1.00 N ATOM 947 CA CYS A 60 17.207 17.052 -26.538 1.00 1.00 C ATOM 948 C CYS A 60 16.885 18.030 -25.406 1.00 1.00 C ATOM 949 O CYS A 60 17.286 17.762 -24.264 1.00 1.00 O ATOM 950 CB CYS A 60 18.589 17.312 -27.140 1.00 1.00 C ATOM 951 SG CYS A 60 19.895 17.667 -25.928 1.00 1.00 S ATOM 0 H CYS A 60 16.489 17.495 -28.451 1.00 1.00 H new ATOM 0 HA CYS A 60 17.232 16.042 -26.128 1.00 1.00 H new ATOM 0 HB2 CYS A 60 18.884 16.442 -27.726 1.00 1.00 H new ATOM 0 HB3 CYS A 60 18.516 18.152 -27.831 1.00 1.00 H new ATOM 0 HG CYS A 60 19.655 18.808 -25.354 1.00 1.00 H new ATOM 957 N LYS A 61 16.180 19.126 -25.738 1.00 1.00 N ATOM 958 CA LYS A 61 15.810 20.131 -24.756 1.00 1.00 C ATOM 959 C LYS A 61 14.564 19.666 -24.000 1.00 1.00 C ATOM 960 O LYS A 61 14.571 19.721 -22.762 1.00 1.00 O ATOM 961 CB LYS A 61 15.649 21.498 -25.424 1.00 1.00 C ATOM 962 CG LYS A 61 17.010 22.092 -25.793 1.00 1.00 C ATOM 963 CD LYS A 61 16.904 23.601 -26.028 1.00 1.00 C ATOM 964 CE LYS A 61 18.260 24.282 -25.833 1.00 1.00 C ATOM 965 NZ LYS A 61 18.294 25.573 -26.539 1.00 1.00 N ATOM 0 H LYS A 61 15.860 19.328 -26.685 1.00 1.00 H new ATOM 0 HA LYS A 61 16.603 20.253 -24.019 1.00 1.00 H new ATOM 0 HB2 LYS A 61 15.037 21.399 -26.320 1.00 1.00 H new ATOM 0 HB3 LYS A 61 15.123 22.176 -24.752 1.00 1.00 H new ATOM 0 HG2 LYS A 61 17.726 21.894 -24.995 1.00 1.00 H new ATOM 0 HG3 LYS A 61 17.391 21.606 -26.691 1.00 1.00 H new ATOM 0 HD2 LYS A 61 16.539 23.791 -27.038 1.00 1.00 H new ATOM 0 HD3 LYS A 61 16.175 24.030 -25.340 1.00 1.00 H new ATOM 0 HE2 LYS A 61 18.446 24.437 -24.770 1.00 1.00 H new ATOM 0 HE3 LYS A 61 19.055 23.636 -26.205 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 19.078 25.574 -27.223 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 17.395 25.717 -27.042 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 18.433 26.341 -25.852 1.00 1.00 H new ATOM 979 N ASN A 62 13.537 19.223 -24.747 1.00 1.00 N ATOM 980 CA ASN A 62 12.298 18.753 -24.151 1.00 1.00 C ATOM 981 C ASN A 62 12.614 17.684 -23.104 1.00 1.00 C ATOM 982 O ASN A 62 11.971 17.688 -22.043 1.00 1.00 O ATOM 983 CB ASN A 62 11.382 18.127 -25.205 1.00 1.00 C ATOM 984 CG ASN A 62 10.089 18.931 -25.354 1.00 1.00 C ATOM 985 OD1 ASN A 62 8.990 18.403 -25.299 1.00 1.00 O ATOM 986 ND2 ASN A 62 10.280 20.233 -25.545 1.00 1.00 N ATOM 0 H ASN A 62 13.552 19.185 -25.766 1.00 1.00 H new ATOM 0 HA ASN A 62 11.796 19.608 -23.699 1.00 1.00 H new ATOM 0 HB2 ASN A 62 11.900 18.084 -26.163 1.00 1.00 H new ATOM 0 HB3 ASN A 62 11.146 17.101 -24.924 1.00 1.00 H new ATOM 0 HD21 ASN A 62 9.479 20.855 -25.656 1.00 1.00 H new ATOM 0 HD22 ASN A 62 11.227 20.610 -25.581 1.00 1.00 H new ATOM 993 N ILE A 63 13.582 16.803 -23.415 1.00 1.00 N ATOM 994 CA ILE A 63 13.977 15.739 -22.508 1.00 1.00 C ATOM 995 C ILE A 63 14.852 16.322 -21.396 1.00 1.00 C ATOM 996 O ILE A 63 14.529 16.109 -20.219 1.00 1.00 O ATOM 997 CB ILE A 63 14.641 14.597 -23.278 1.00 1.00 C ATOM 998 CG1 ILE A 63 13.592 13.660 -23.882 1.00 1.00 C ATOM 999 CG2 ILE A 63 15.639 13.846 -22.394 1.00 1.00 C ATOM 1000 CD1 ILE A 63 12.860 12.879 -22.788 1.00 1.00 C ATOM 0 H ILE A 63 14.100 16.817 -24.294 1.00 1.00 H new ATOM 0 HA ILE A 63 13.101 15.302 -22.029 1.00 1.00 H new ATOM 0 HB ILE A 63 15.205 15.026 -24.106 1.00 1.00 H new ATOM 0 HG12 ILE A 63 12.874 14.239 -24.463 1.00 1.00 H new ATOM 0 HG13 ILE A 63 14.073 12.965 -24.570 1.00 1.00 H new ATOM 0 HG21 ILE A 63 16.097 13.039 -22.966 1.00 1.00 H new ATOM 0 HG22 ILE A 63 16.413 14.534 -22.054 1.00 1.00 H new ATOM 0 HG23 ILE A 63 15.119 13.429 -21.531 1.00 1.00 H new ATOM 0 HD11 ILE A 63 12.120 12.221 -23.244 1.00 1.00 H new ATOM 0 HD12 ILE A 63 13.578 12.283 -22.224 1.00 1.00 H new ATOM 0 HD13 ILE A 63 12.360 13.576 -22.116 1.00 1.00 H new ATOM 1012 N CYS A 64 15.925 17.034 -21.786 1.00 1.00 N ATOM 1013 CA CYS A 64 16.836 17.639 -20.829 1.00 1.00 C ATOM 1014 C CYS A 64 16.273 18.990 -20.380 1.00 1.00 C ATOM 1015 O CYS A 64 15.649 19.042 -19.310 1.00 1.00 O ATOM 1016 CB CYS A 64 18.243 17.774 -21.415 1.00 1.00 C ATOM 1017 SG CYS A 64 18.803 16.345 -22.387 1.00 1.00 S ATOM 0 H CYS A 64 16.173 17.198 -22.762 1.00 1.00 H new ATOM 0 HA CYS A 64 16.924 16.992 -19.956 1.00 1.00 H new ATOM 0 HB2 CYS A 64 18.274 18.661 -22.048 1.00 1.00 H new ATOM 0 HB3 CYS A 64 18.947 17.939 -20.599 1.00 1.00 H new ATOM 0 HG CYS A 64 18.684 15.263 -21.676 1.00 1.00 H new ATOM 1023 N GLU A 65 16.500 20.037 -21.193 1.00 1.00 N ATOM 1024 CA GLU A 65 16.019 21.372 -20.881 1.00 1.00 C ATOM 1025 C GLU A 65 14.651 21.271 -20.203 1.00 1.00 C ATOM 1026 O GLU A 65 14.339 22.139 -19.374 1.00 1.00 O ATOM 1027 CB GLU A 65 15.948 22.250 -22.132 1.00 1.00 C ATOM 1028 CG GLU A 65 17.270 22.985 -22.363 1.00 1.00 C ATOM 1029 CD GLU A 65 17.024 24.419 -22.836 1.00 1.00 C ATOM 1030 OE1 GLU A 65 15.911 24.745 -23.276 1.00 1.00 O ATOM 1031 OE2 GLU A 65 18.039 25.209 -22.733 1.00 1.00 O ATOM 0 H GLU A 65 17.016 19.972 -22.070 1.00 1.00 H new ATOM 0 HA GLU A 65 16.724 21.848 -20.199 1.00 1.00 H new ATOM 0 HB2 GLU A 65 15.714 21.634 -23.000 1.00 1.00 H new ATOM 0 HB3 GLU A 65 15.139 22.973 -22.027 1.00 1.00 H new ATOM 0 HG2 GLU A 65 17.850 22.997 -21.440 1.00 1.00 H new ATOM 0 HG3 GLU A 65 17.863 22.450 -23.105 1.00 1.00 H new ATOM 1038 N ASP A 66 13.876 20.233 -20.562 1.00 1.00 N ATOM 1039 CA ASP A 66 12.556 20.024 -19.992 1.00 1.00 C ATOM 1040 C ASP A 66 11.779 21.341 -20.019 1.00 1.00 C ATOM 1041 O ASP A 66 11.109 21.651 -19.023 1.00 1.00 O ATOM 1042 CB ASP A 66 12.651 19.560 -18.537 1.00 1.00 C ATOM 1043 CG ASP A 66 13.431 20.495 -17.611 1.00 1.00 C ATOM 1044 OD1 ASP A 66 12.914 21.667 -17.456 1.00 1.00 O ATOM 1045 OD2 ASP A 66 14.480 20.123 -17.064 1.00 1.00 O ATOM 0 H ASP A 66 14.152 19.530 -21.247 1.00 1.00 H new ATOM 0 HA ASP A 66 12.052 19.259 -20.582 1.00 1.00 H new ATOM 0 HB2 ASP A 66 11.642 19.441 -18.143 1.00 1.00 H new ATOM 0 HB3 ASP A 66 13.120 18.576 -18.515 1.00 1.00 H new