USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 582 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 76 THR OG1 : rot -170:sc= -0.671 USER MOD Set 1.2: A 79 ASN : amide:sc= -1.26 K(o=-1.9,f=-5.9!) USER MOD Single : A 13 ASN : amide:sc= -0.0346 X(o=-0.035,f=0) USER MOD Single : A 14 HIS : no HD1:sc= 0.18 K(o=0.18,f=-1.7!) USER MOD Single : A 19 THR OG1 : rot 180:sc= -1.09! USER MOD Single : A 20 ASN : amide:sc= 0.839 K(o=0.84,f=-0.48) USER MOD Single : A 25 THR OG1 : rot 167:sc= -0.0171 USER MOD Single : A 26 ASN : amide:sc= -6.36! C(o=-6.4!,f=-26!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 22:sc= 0.993 USER MOD Single : A 32 MET CE :methyl 164:sc= -0.58 (180deg=-1.52) USER MOD Single : A 35 ASN : amide:sc= -0.0557 K(o=-0.056,f=-1.1) USER MOD Single : A 36 GLN : amide:sc= -0.0222 K(o=-0.022,f=-0.53!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -3.46! C(o=-3.5!,f=-7.3!) USER MOD Single : A 59 ASN : amide:sc= -1.66 K(o=-1.7,f=-17!) USER MOD Single : A 62 GLN : amide:sc= -1.98 K(o=-2,f=-15!) USER MOD Single : A 71 GLN : amide:sc= -3.18! C(o=-3.2!,f=-6.3!) USER MOD Single : A 74 LYS NZ :NH3+ 158:sc=-0.000606 (180deg=-0.753) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 ASN : amide:sc= -0.0391 X(o=-0.039,f=0) USER MOD Single : A 81 MET CE :methyl -129:sc= -4.18! (180deg=-9.15!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 172 N ASN A 13 -9.841 -2.650 -3.469 1.00 0.00 N ATOM 173 CA ASN A 13 -9.160 -1.324 -3.380 1.00 0.00 C ATOM 174 C ASN A 13 -7.810 -1.277 -4.078 1.00 0.00 C ATOM 175 O ASN A 13 -7.034 -2.217 -4.094 1.00 0.00 O ATOM 176 CB ASN A 13 -8.996 -0.896 -1.899 1.00 0.00 C ATOM 177 CG ASN A 13 -10.271 -1.237 -1.126 1.00 0.00 C ATOM 178 OD1 ASN A 13 -11.347 -0.745 -1.363 1.00 0.00 O ATOM 179 ND2 ASN A 13 -10.222 -2.108 -0.145 1.00 0.00 N ATOM 0 HA ASN A 13 -9.808 -0.623 -3.906 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -8.141 -1.406 -1.455 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.796 0.174 -1.838 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -11.069 -2.339 0.375 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.337 -2.554 0.097 1.00 0.00 H new ATOM 186 N HIS A 14 -7.542 -0.137 -4.663 1.00 0.00 N ATOM 187 CA HIS A 14 -6.288 0.150 -5.394 1.00 0.00 C ATOM 188 C HIS A 14 -5.478 1.171 -4.529 1.00 0.00 C ATOM 189 O HIS A 14 -4.716 1.981 -4.972 1.00 0.00 O ATOM 190 CB HIS A 14 -6.590 0.945 -6.689 1.00 0.00 C ATOM 191 CG HIS A 14 -7.555 2.063 -6.429 1.00 0.00 C ATOM 192 ND1 HIS A 14 -8.917 1.912 -6.337 1.00 0.00 N ATOM 193 CD2 HIS A 14 -7.305 3.413 -6.231 1.00 0.00 C ATOM 194 CE1 HIS A 14 -9.459 3.126 -6.093 1.00 0.00 C ATOM 195 NE2 HIS A 14 -8.519 4.065 -6.019 1.00 0.00 N ATOM 0 H HIS A 14 -8.191 0.650 -4.656 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.779 -0.792 -5.599 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -5.663 1.349 -7.095 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -7.002 0.274 -7.443 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -6.332 3.881 -6.240 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -10.517 3.310 -5.974 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -8.658 5.060 -5.843 1.00 0.00 H new ATOM 204 N ILE A 15 -5.677 1.130 -3.222 1.00 0.00 N ATOM 205 CA ILE A 15 -5.043 2.052 -2.240 1.00 0.00 C ATOM 206 C ILE A 15 -4.562 1.131 -1.094 1.00 0.00 C ATOM 207 O ILE A 15 -5.385 0.563 -0.433 1.00 0.00 O ATOM 208 CB ILE A 15 -5.934 3.168 -1.700 1.00 0.00 C ATOM 209 CG1 ILE A 15 -5.688 4.425 -2.568 1.00 0.00 C ATOM 210 CG2 ILE A 15 -5.462 3.523 -0.301 1.00 0.00 C ATOM 211 CD1 ILE A 15 -6.545 5.596 -2.133 1.00 0.00 C ATOM 0 H ILE A 15 -6.295 0.446 -2.785 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.245 2.604 -2.737 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.978 2.856 -1.707 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.636 4.705 -2.510 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.898 4.191 -3.612 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.087 4.320 0.103 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.534 2.645 0.341 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.426 3.859 -0.341 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.338 6.455 -2.771 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.598 5.327 -2.217 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.317 5.849 -1.098 1.00 0.00 H new ATOM 223 N LEU A 16 -3.272 1.058 -0.940 1.00 0.00 N ATOM 224 CA LEU A 16 -2.649 0.212 0.143 1.00 0.00 C ATOM 225 C LEU A 16 -1.871 1.130 1.130 1.00 0.00 C ATOM 226 O LEU A 16 -0.839 1.703 0.853 1.00 0.00 O ATOM 227 CB LEU A 16 -1.724 -0.824 -0.466 1.00 0.00 C ATOM 228 CG LEU A 16 -2.234 -1.212 -1.870 1.00 0.00 C ATOM 229 CD1 LEU A 16 -1.543 -0.407 -2.958 1.00 0.00 C ATOM 230 CD2 LEU A 16 -1.893 -2.686 -2.052 1.00 0.00 C ATOM 0 H LEU A 16 -2.600 1.555 -1.525 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.433 -0.314 0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.711 -0.427 -0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.679 -1.706 0.172 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.303 -1.015 -1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.928 -0.707 -3.933 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.736 0.655 -2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.469 -0.590 -2.920 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.232 -3.019 -3.033 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.814 -2.822 -1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.389 -3.272 -1.278 1.00 0.00 H new ATOM 242 N PHE A 17 -2.503 1.233 2.306 1.00 0.00 N ATOM 243 CA PHE A 17 -2.124 2.084 3.424 1.00 0.00 C ATOM 244 C PHE A 17 -1.865 1.133 4.614 1.00 0.00 C ATOM 245 O PHE A 17 -2.678 0.298 4.827 1.00 0.00 O ATOM 246 CB PHE A 17 -3.162 3.142 3.751 1.00 0.00 C ATOM 247 CG PHE A 17 -2.990 3.459 5.233 1.00 0.00 C ATOM 248 CD1 PHE A 17 -1.734 3.845 5.701 1.00 0.00 C ATOM 249 CD2 PHE A 17 -4.106 3.350 6.083 1.00 0.00 C ATOM 250 CE1 PHE A 17 -1.535 4.145 7.067 1.00 0.00 C ATOM 251 CE2 PHE A 17 -3.902 3.650 7.437 1.00 0.00 C ATOM 252 CZ PHE A 17 -2.632 4.040 7.916 1.00 0.00 C ATOM 0 H PHE A 17 -3.342 0.689 2.507 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.233 2.661 3.175 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.015 4.034 3.142 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.168 2.778 3.545 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.905 3.915 5.012 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.074 3.049 5.710 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.566 4.445 7.439 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.731 3.582 8.126 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.510 4.262 8.966 1.00 0.00 H new ATOM 262 N LEU A 18 -0.726 1.307 5.168 1.00 0.00 N ATOM 263 CA LEU A 18 -0.344 0.505 6.294 1.00 0.00 C ATOM 264 C LEU A 18 1.113 0.820 6.519 1.00 0.00 C ATOM 265 O LEU A 18 1.680 1.701 5.885 1.00 0.00 O ATOM 266 CB LEU A 18 -0.787 -0.926 6.417 1.00 0.00 C ATOM 267 CG LEU A 18 -1.034 -1.267 7.910 1.00 0.00 C ATOM 268 CD1 LEU A 18 -2.521 -1.001 8.243 1.00 0.00 C ATOM 269 CD2 LEU A 18 -0.823 -2.740 8.205 1.00 0.00 C ATOM 0 H LEU A 18 -0.033 1.994 4.870 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.966 0.787 7.144 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.699 -1.086 5.841 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.028 -1.589 6.003 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.339 -0.660 8.490 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.707 -1.237 9.291 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.753 0.048 8.061 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.153 -1.627 7.612 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.008 -2.929 9.262 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.512 -3.334 7.604 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.203 -3.017 7.960 1.00 0.00 H new ATOM 281 N THR A 19 1.623 0.202 7.460 1.00 0.00 N ATOM 282 CA THR A 19 2.966 0.459 7.893 1.00 0.00 C ATOM 283 C THR A 19 3.557 -0.878 8.279 1.00 0.00 C ATOM 284 O THR A 19 3.007 -1.962 8.143 1.00 0.00 O ATOM 285 CB THR A 19 2.862 1.295 9.199 1.00 0.00 C ATOM 286 OG1 THR A 19 3.999 1.156 10.011 1.00 0.00 O ATOM 287 CG2 THR A 19 1.608 0.835 9.978 1.00 0.00 C ATOM 0 H THR A 19 1.141 -0.523 7.992 1.00 0.00 H new ATOM 0 HA THR A 19 3.556 0.965 7.129 1.00 0.00 H new ATOM 0 HB THR A 19 2.788 2.348 8.927 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.892 1.699 10.820 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.520 1.412 10.899 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.721 0.992 9.365 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.699 -0.224 10.221 1.00 0.00 H new ATOM 295 N ASN A 20 4.707 -0.779 8.671 1.00 0.00 N ATOM 296 CA ASN A 20 5.591 -1.915 9.129 1.00 0.00 C ATOM 297 C ASN A 20 6.824 -2.023 8.213 1.00 0.00 C ATOM 298 O ASN A 20 7.526 -2.995 8.131 1.00 0.00 O ATOM 299 CB ASN A 20 4.872 -3.222 9.337 1.00 0.00 C ATOM 300 CG ASN A 20 5.659 -4.023 10.404 1.00 0.00 C ATOM 301 OD1 ASN A 20 5.091 -4.437 11.407 1.00 0.00 O ATOM 302 ND2 ASN A 20 6.918 -4.278 10.287 1.00 0.00 N ATOM 0 H ASN A 20 5.180 0.123 8.721 1.00 0.00 H new ATOM 0 HA ASN A 20 5.937 -1.669 10.133 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.848 -3.048 9.667 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.815 -3.781 8.403 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.401 -4.806 11.014 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.430 -3.952 9.467 1.00 0.00 H new ATOM 309 N LEU A 21 7.103 -0.971 7.504 1.00 0.00 N ATOM 310 CA LEU A 21 8.295 -0.952 6.588 1.00 0.00 C ATOM 311 C LEU A 21 9.518 -0.926 7.496 1.00 0.00 C ATOM 312 O LEU A 21 9.352 -0.635 8.673 1.00 0.00 O ATOM 313 CB LEU A 21 8.210 0.290 5.695 1.00 0.00 C ATOM 314 CG LEU A 21 7.211 0.074 4.559 1.00 0.00 C ATOM 315 CD1 LEU A 21 6.052 -0.841 4.967 1.00 0.00 C ATOM 316 CD2 LEU A 21 6.557 1.405 4.132 1.00 0.00 C ATOM 0 H LEU A 21 6.557 -0.110 7.513 1.00 0.00 H new ATOM 0 HA LEU A 21 8.343 -1.817 5.927 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.909 1.152 6.291 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.194 0.515 5.283 1.00 0.00 H new ATOM 0 HG LEU A 21 7.791 -0.374 3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.371 -0.962 4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.443 -1.815 5.261 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.516 -0.397 5.806 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.851 1.220 3.322 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.030 1.840 4.981 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.328 2.096 3.791 1.00 0.00 H new ATOM 328 N PRO A 22 10.663 -1.221 6.970 1.00 0.00 N ATOM 329 CA PRO A 22 11.878 -1.232 7.790 1.00 0.00 C ATOM 330 C PRO A 22 12.084 0.057 8.590 1.00 0.00 C ATOM 331 O PRO A 22 11.753 0.039 9.771 1.00 0.00 O ATOM 332 CB PRO A 22 13.046 -1.539 6.836 1.00 0.00 C ATOM 333 CG PRO A 22 12.333 -1.834 5.494 1.00 0.00 C ATOM 334 CD PRO A 22 10.814 -1.563 5.535 1.00 0.00 C ATOM 0 HA PRO A 22 11.802 -1.997 8.563 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.731 -0.695 6.752 1.00 0.00 H new ATOM 0 HB3 PRO A 22 13.632 -2.392 7.177 1.00 0.00 H new ATOM 0 HG2 PRO A 22 12.782 -1.224 4.710 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.502 -2.876 5.223 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.517 -0.747 4.877 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.225 -2.434 5.248 1.00 0.00 H new ATOM 342 N GLU A 23 12.595 1.085 7.987 1.00 0.00 N ATOM 343 CA GLU A 23 12.862 2.394 8.621 1.00 0.00 C ATOM 344 C GLU A 23 14.030 3.031 7.836 1.00 0.00 C ATOM 345 O GLU A 23 14.224 4.218 7.843 1.00 0.00 O ATOM 346 CB GLU A 23 13.319 2.280 10.068 1.00 0.00 C ATOM 347 CG GLU A 23 14.187 3.450 10.507 1.00 0.00 C ATOM 348 CD GLU A 23 14.560 3.223 11.981 1.00 0.00 C ATOM 349 OE1 GLU A 23 13.908 2.414 12.637 1.00 0.00 O ATOM 350 OE2 GLU A 23 15.480 3.839 12.463 1.00 0.00 O ATOM 0 H GLU A 23 12.857 1.062 7.002 1.00 0.00 H new ATOM 0 HA GLU A 23 11.938 2.972 8.606 1.00 0.00 H new ATOM 0 HB2 GLU A 23 12.445 2.219 10.716 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.876 1.352 10.196 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.084 3.514 9.890 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.650 4.391 10.388 1.00 0.00 H new ATOM 357 N GLU A 24 14.816 2.257 7.147 1.00 0.00 N ATOM 358 CA GLU A 24 15.956 2.821 6.363 1.00 0.00 C ATOM 359 C GLU A 24 15.487 2.873 4.891 1.00 0.00 C ATOM 360 O GLU A 24 16.258 2.628 3.998 1.00 0.00 O ATOM 361 CB GLU A 24 17.205 1.978 6.524 1.00 0.00 C ATOM 362 CG GLU A 24 17.823 2.239 7.910 1.00 0.00 C ATOM 363 CD GLU A 24 19.041 1.335 8.092 1.00 0.00 C ATOM 364 OE1 GLU A 24 19.522 0.830 7.088 1.00 0.00 O ATOM 365 OE2 GLU A 24 19.454 1.175 9.223 1.00 0.00 O ATOM 0 H GLU A 24 14.719 1.243 7.090 1.00 0.00 H new ATOM 0 HA GLU A 24 16.224 3.816 6.718 1.00 0.00 H new ATOM 0 HB2 GLU A 24 16.960 0.921 6.416 1.00 0.00 H new ATOM 0 HB3 GLU A 24 17.924 2.220 5.741 1.00 0.00 H new ATOM 0 HG2 GLU A 24 18.114 3.285 8.001 1.00 0.00 H new ATOM 0 HG3 GLU A 24 17.089 2.043 8.692 1.00 0.00 H new ATOM 372 N THR A 25 14.230 3.189 4.727 1.00 0.00 N ATOM 373 CA THR A 25 13.614 3.286 3.380 1.00 0.00 C ATOM 374 C THR A 25 13.497 4.753 2.967 1.00 0.00 C ATOM 375 O THR A 25 13.859 5.627 3.712 1.00 0.00 O ATOM 376 CB THR A 25 12.165 2.775 3.529 1.00 0.00 C ATOM 377 OG1 THR A 25 11.564 3.353 4.684 1.00 0.00 O ATOM 378 CG2 THR A 25 12.109 1.262 3.636 1.00 0.00 C ATOM 0 H THR A 25 13.590 3.389 5.496 1.00 0.00 H new ATOM 0 HA THR A 25 14.207 2.729 2.655 1.00 0.00 H new ATOM 0 HB THR A 25 11.618 3.072 2.634 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.596 3.199 4.661 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.072 0.943 3.740 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.538 0.818 2.738 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.677 0.938 4.508 1.00 0.00 H new ATOM 386 N ASN A 26 12.990 4.964 1.785 1.00 0.00 N ATOM 387 CA ASN A 26 12.862 6.407 1.384 1.00 0.00 C ATOM 388 C ASN A 26 11.648 6.635 0.454 1.00 0.00 C ATOM 389 O ASN A 26 11.090 5.726 -0.152 1.00 0.00 O ATOM 390 CB ASN A 26 14.166 6.960 0.840 1.00 0.00 C ATOM 391 CG ASN A 26 14.195 7.113 -0.668 1.00 0.00 C ATOM 392 OD1 ASN A 26 13.363 7.688 -1.317 1.00 0.00 O ATOM 393 ND2 ASN A 26 15.211 6.591 -1.321 1.00 0.00 N ATOM 0 H ASN A 26 12.676 4.262 1.115 1.00 0.00 H new ATOM 0 HA ASN A 26 12.655 6.988 2.283 1.00 0.00 H new ATOM 0 HB2 ASN A 26 14.354 7.932 1.296 1.00 0.00 H new ATOM 0 HB3 ASN A 26 14.981 6.303 1.143 1.00 0.00 H new ATOM 0 HD21 ASN A 26 15.267 6.684 -2.335 1.00 0.00 H new ATOM 0 HD22 ASN A 26 15.942 6.093 -0.813 1.00 0.00 H new ATOM 400 N GLU A 27 11.205 7.874 0.327 1.00 0.00 N ATOM 401 CA GLU A 27 10.045 8.235 -0.515 1.00 0.00 C ATOM 402 C GLU A 27 10.234 8.015 -2.041 1.00 0.00 C ATOM 403 O GLU A 27 9.327 7.538 -2.666 1.00 0.00 O ATOM 404 CB GLU A 27 9.617 9.691 -0.361 1.00 0.00 C ATOM 405 CG GLU A 27 10.488 10.481 0.591 1.00 0.00 C ATOM 406 CD GLU A 27 10.092 11.954 0.686 1.00 0.00 C ATOM 407 OE1 GLU A 27 9.138 12.280 1.392 1.00 0.00 O ATOM 408 OE2 GLU A 27 10.753 12.746 0.043 1.00 0.00 O ATOM 0 H GLU A 27 11.631 8.670 0.801 1.00 0.00 H new ATOM 0 HA GLU A 27 9.288 7.547 -0.138 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.634 10.171 -1.339 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.586 9.723 -0.008 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.432 10.032 1.582 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.526 10.411 0.267 1.00 0.00 H new ATOM 415 N LEU A 28 11.353 8.340 -2.627 1.00 0.00 N ATOM 416 CA LEU A 28 11.594 8.154 -4.096 1.00 0.00 C ATOM 417 C LEU A 28 11.852 6.639 -4.329 1.00 0.00 C ATOM 418 O LEU A 28 11.730 6.112 -5.404 1.00 0.00 O ATOM 419 CB LEU A 28 12.727 9.012 -4.625 1.00 0.00 C ATOM 420 CG LEU A 28 14.065 8.730 -3.940 1.00 0.00 C ATOM 421 CD1 LEU A 28 15.184 8.699 -5.005 1.00 0.00 C ATOM 422 CD2 LEU A 28 14.401 9.861 -2.982 1.00 0.00 C ATOM 0 H LEU A 28 12.146 8.744 -2.130 1.00 0.00 H new ATOM 0 HA LEU A 28 10.719 8.485 -4.655 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.832 8.844 -5.697 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.472 10.063 -4.491 1.00 0.00 H new ATOM 0 HG LEU A 28 13.991 7.780 -3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 28 16.140 8.498 -4.522 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.973 7.915 -5.732 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.229 9.662 -5.513 1.00 0.00 H new ATOM 0 HD21 LEU A 28 15.355 9.655 -2.497 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.470 10.798 -3.535 1.00 0.00 H new ATOM 0 HD23 LEU A 28 13.620 9.942 -2.226 1.00 0.00 H new ATOM 434 N MET A 29 12.214 5.985 -3.243 1.00 0.00 N ATOM 435 CA MET A 29 12.505 4.522 -3.255 1.00 0.00 C ATOM 436 C MET A 29 11.151 3.806 -3.380 1.00 0.00 C ATOM 437 O MET A 29 10.916 2.968 -4.259 1.00 0.00 O ATOM 438 CB MET A 29 13.097 4.127 -1.902 1.00 0.00 C ATOM 439 CG MET A 29 13.832 2.800 -2.112 1.00 0.00 C ATOM 440 SD MET A 29 15.601 3.171 -2.163 1.00 0.00 S ATOM 441 CE MET A 29 15.987 2.920 -0.416 1.00 0.00 C ATOM 0 H MET A 29 12.320 6.424 -2.328 1.00 0.00 H new ATOM 0 HA MET A 29 13.191 4.267 -4.063 1.00 0.00 H new ATOM 0 HB2 MET A 29 13.781 4.895 -1.540 1.00 0.00 H new ATOM 0 HB3 MET A 29 12.312 4.020 -1.153 1.00 0.00 H new ATOM 0 HG2 MET A 29 13.608 2.104 -1.304 1.00 0.00 H new ATOM 0 HG3 MET A 29 13.512 2.325 -3.039 1.00 0.00 H new ATOM 0 HE1 MET A 29 17.048 3.105 -0.248 1.00 0.00 H new ATOM 0 HE2 MET A 29 15.398 3.609 0.189 1.00 0.00 H new ATOM 0 HE3 MET A 29 15.748 1.894 -0.134 1.00 0.00 H new ATOM 451 N LEU A 30 10.248 4.148 -2.491 1.00 0.00 N ATOM 452 CA LEU A 30 8.887 3.560 -2.469 1.00 0.00 C ATOM 453 C LEU A 30 8.180 4.062 -3.717 1.00 0.00 C ATOM 454 O LEU A 30 7.384 3.453 -4.367 1.00 0.00 O ATOM 455 CB LEU A 30 8.216 4.001 -1.166 1.00 0.00 C ATOM 456 CG LEU A 30 8.782 3.294 0.083 1.00 0.00 C ATOM 457 CD1 LEU A 30 7.737 2.386 0.721 1.00 0.00 C ATOM 458 CD2 LEU A 30 10.007 2.414 -0.259 1.00 0.00 C ATOM 0 H LEU A 30 10.414 4.837 -1.757 1.00 0.00 H new ATOM 0 HA LEU A 30 8.872 2.470 -2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.336 5.078 -1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.146 3.805 -1.232 1.00 0.00 H new ATOM 0 HG LEU A 30 9.074 4.088 0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.164 1.901 1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.872 2.979 1.019 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.427 1.628 0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.375 1.934 0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.717 1.651 -0.981 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.794 3.036 -0.685 1.00 0.00 H new ATOM 470 N SER A 31 8.514 5.281 -4.096 1.00 0.00 N ATOM 471 CA SER A 31 7.922 5.911 -5.306 1.00 0.00 C ATOM 472 C SER A 31 8.421 5.153 -6.554 1.00 0.00 C ATOM 473 O SER A 31 7.717 4.940 -7.504 1.00 0.00 O ATOM 474 CB SER A 31 8.357 7.375 -5.448 1.00 0.00 C ATOM 475 OG SER A 31 7.730 7.933 -6.602 1.00 0.00 O ATOM 0 H SER A 31 9.186 5.868 -3.601 1.00 0.00 H new ATOM 0 HA SER A 31 6.837 5.868 -5.211 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.079 7.939 -4.558 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.441 7.439 -5.540 1.00 0.00 H new ATOM 0 HG SER A 31 6.934 7.408 -6.828 1.00 0.00 H new ATOM 481 N MET A 32 9.654 4.720 -6.577 1.00 0.00 N ATOM 482 CA MET A 32 10.193 3.971 -7.753 1.00 0.00 C ATOM 483 C MET A 32 9.712 2.527 -7.741 1.00 0.00 C ATOM 484 O MET A 32 9.465 1.865 -8.746 1.00 0.00 O ATOM 485 CB MET A 32 11.727 3.932 -7.574 1.00 0.00 C ATOM 486 CG MET A 32 12.374 5.125 -8.260 1.00 0.00 C ATOM 487 SD MET A 32 14.175 5.137 -8.043 1.00 0.00 S ATOM 488 CE MET A 32 14.505 3.378 -8.198 1.00 0.00 C ATOM 0 H MET A 32 10.322 4.856 -5.818 1.00 0.00 H new ATOM 0 HA MET A 32 9.872 4.451 -8.677 1.00 0.00 H new ATOM 0 HB2 MET A 32 11.975 3.937 -6.513 1.00 0.00 H new ATOM 0 HB3 MET A 32 12.124 3.006 -7.990 1.00 0.00 H new ATOM 0 HG2 MET A 32 12.137 5.104 -9.324 1.00 0.00 H new ATOM 0 HG3 MET A 32 11.954 6.047 -7.858 1.00 0.00 H new ATOM 0 HE1 MET A 32 15.569 3.222 -8.375 1.00 0.00 H new ATOM 0 HE2 MET A 32 14.211 2.870 -7.279 1.00 0.00 H new ATOM 0 HE3 MET A 32 13.935 2.973 -9.034 1.00 0.00 H new ATOM 498 N LEU A 33 9.555 1.978 -6.570 1.00 0.00 N ATOM 499 CA LEU A 33 9.099 0.559 -6.376 1.00 0.00 C ATOM 500 C LEU A 33 7.601 0.546 -6.735 1.00 0.00 C ATOM 501 O LEU A 33 7.028 -0.359 -7.274 1.00 0.00 O ATOM 502 CB LEU A 33 9.202 0.208 -4.884 1.00 0.00 C ATOM 503 CG LEU A 33 10.474 -0.588 -4.612 1.00 0.00 C ATOM 504 CD1 LEU A 33 10.795 -0.502 -3.115 1.00 0.00 C ATOM 505 CD2 LEU A 33 10.309 -2.074 -4.956 1.00 0.00 C ATOM 0 H LEU A 33 9.731 2.473 -5.696 1.00 0.00 H new ATOM 0 HA LEU A 33 9.690 -0.135 -6.974 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.202 1.121 -4.288 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.331 -0.371 -4.579 1.00 0.00 H new ATOM 0 HG LEU A 33 11.265 -0.166 -5.232 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.703 -1.067 -2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.943 0.541 -2.834 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.967 -0.918 -2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 33 11.240 -2.601 -4.746 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.507 -2.500 -4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.063 -2.178 -6.013 1.00 0.00 H new ATOM 517 N PHE A 34 7.003 1.659 -6.383 1.00 0.00 N ATOM 518 CA PHE A 34 5.529 1.776 -6.707 1.00 0.00 C ATOM 519 C PHE A 34 5.410 2.160 -8.194 1.00 0.00 C ATOM 520 O PHE A 34 4.461 1.840 -8.872 1.00 0.00 O ATOM 521 CB PHE A 34 4.838 2.764 -5.789 1.00 0.00 C ATOM 522 CG PHE A 34 4.645 2.089 -4.438 1.00 0.00 C ATOM 523 CD1 PHE A 34 4.172 0.788 -4.356 1.00 0.00 C ATOM 524 CD2 PHE A 34 4.952 2.802 -3.280 1.00 0.00 C ATOM 525 CE1 PHE A 34 3.994 0.157 -3.108 1.00 0.00 C ATOM 526 CE2 PHE A 34 4.774 2.176 -2.056 1.00 0.00 C ATOM 527 CZ PHE A 34 4.300 0.865 -1.955 1.00 0.00 C ATOM 0 H PHE A 34 7.433 2.455 -5.912 1.00 0.00 H new ATOM 0 HA PHE A 34 5.021 0.826 -6.539 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.437 3.669 -5.682 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.877 3.065 -6.206 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.936 0.250 -5.262 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.319 3.816 -3.335 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.627 -0.857 -3.051 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.009 2.718 -1.152 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.173 0.406 -0.986 1.00 0.00 H new ATOM 537 N ASN A 35 6.432 2.853 -8.632 1.00 0.00 N ATOM 538 CA ASN A 35 6.540 3.331 -10.032 1.00 0.00 C ATOM 539 C ASN A 35 6.582 2.127 -10.993 1.00 0.00 C ATOM 540 O ASN A 35 5.921 2.140 -11.997 1.00 0.00 O ATOM 541 CB ASN A 35 7.777 4.200 -10.261 1.00 0.00 C ATOM 542 CG ASN A 35 7.899 4.465 -11.779 1.00 0.00 C ATOM 543 OD1 ASN A 35 6.905 4.664 -12.429 1.00 0.00 O ATOM 544 ND2 ASN A 35 9.079 4.466 -12.323 1.00 0.00 N ATOM 0 H ASN A 35 7.225 3.114 -8.045 1.00 0.00 H new ATOM 0 HA ASN A 35 5.662 3.946 -10.228 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.689 5.140 -9.716 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.670 3.698 -9.889 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.179 4.638 -13.323 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.905 4.295 -11.750 1.00 0.00 H new ATOM 551 N GLN A 36 7.364 1.146 -10.608 1.00 0.00 N ATOM 552 CA GLN A 36 7.533 -0.108 -11.365 1.00 0.00 C ATOM 553 C GLN A 36 6.233 -0.547 -12.091 1.00 0.00 C ATOM 554 O GLN A 36 6.308 -1.107 -13.150 1.00 0.00 O ATOM 555 CB GLN A 36 7.824 -1.251 -10.367 1.00 0.00 C ATOM 556 CG GLN A 36 9.304 -1.534 -10.241 1.00 0.00 C ATOM 557 CD GLN A 36 9.536 -2.842 -9.452 1.00 0.00 C ATOM 558 OE1 GLN A 36 8.607 -3.368 -8.853 1.00 0.00 O ATOM 559 NE2 GLN A 36 10.728 -3.402 -9.415 1.00 0.00 N ATOM 0 H GLN A 36 7.916 1.180 -9.751 1.00 0.00 H new ATOM 0 HA GLN A 36 8.330 0.072 -12.087 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.421 -0.989 -9.389 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.309 -2.155 -10.692 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.751 -1.615 -11.232 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.798 -0.704 -9.735 1.00 0.00 H new ATOM 0 HE21 GLN A 36 11.509 -2.972 -9.911 1.00 0.00 H new ATOM 0 HE22 GLN A 36 10.870 -4.265 -8.891 1.00 0.00 H new ATOM 568 N PHE A 37 5.155 -0.254 -11.429 1.00 0.00 N ATOM 569 CA PHE A 37 3.730 -0.576 -11.823 1.00 0.00 C ATOM 570 C PHE A 37 3.023 0.458 -12.689 1.00 0.00 C ATOM 571 O PHE A 37 2.643 1.509 -12.193 1.00 0.00 O ATOM 572 CB PHE A 37 2.983 -0.895 -10.487 1.00 0.00 C ATOM 573 CG PHE A 37 3.680 -2.150 -9.973 1.00 0.00 C ATOM 574 CD1 PHE A 37 3.298 -3.440 -10.303 1.00 0.00 C ATOM 575 CD2 PHE A 37 4.796 -1.980 -9.126 1.00 0.00 C ATOM 576 CE1 PHE A 37 4.032 -4.533 -9.787 1.00 0.00 C ATOM 577 CE2 PHE A 37 5.528 -3.054 -8.611 1.00 0.00 C ATOM 578 CZ PHE A 37 5.138 -4.365 -8.952 1.00 0.00 C ATOM 0 H PHE A 37 5.200 0.246 -10.541 1.00 0.00 H new ATOM 0 HA PHE A 37 3.730 -1.430 -12.501 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.065 -0.072 -9.777 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.920 -1.068 -10.654 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.448 -3.609 -10.948 1.00 0.00 H new ATOM 0 HD2 PHE A 37 5.098 -0.977 -8.864 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.726 -5.535 -10.049 1.00 0.00 H new ATOM 0 HE2 PHE A 37 6.376 -2.883 -7.964 1.00 0.00 H new ATOM 0 HZ PHE A 37 5.682 -5.219 -8.576 1.00 0.00 H new ATOM 588 N PRO A 38 2.850 0.135 -13.971 1.00 0.00 N ATOM 589 CA PRO A 38 2.172 0.983 -14.991 1.00 0.00 C ATOM 590 C PRO A 38 0.851 1.511 -14.364 1.00 0.00 C ATOM 591 O PRO A 38 -0.182 0.884 -14.321 1.00 0.00 O ATOM 592 CB PRO A 38 1.745 0.089 -16.145 1.00 0.00 C ATOM 593 CG PRO A 38 2.215 -1.320 -15.771 1.00 0.00 C ATOM 594 CD PRO A 38 3.268 -1.090 -14.654 1.00 0.00 C ATOM 0 HA PRO A 38 2.835 1.786 -15.314 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.664 0.118 -16.284 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.195 0.417 -17.082 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.387 -1.934 -15.417 1.00 0.00 H new ATOM 0 HG3 PRO A 38 2.650 -1.835 -16.628 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.299 -1.933 -13.964 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.269 -0.984 -15.073 1.00 0.00 H new ATOM 602 N GLY A 39 0.955 2.710 -13.873 1.00 0.00 N ATOM 603 CA GLY A 39 -0.230 3.354 -13.231 1.00 0.00 C ATOM 604 C GLY A 39 0.306 4.309 -12.147 1.00 0.00 C ATOM 605 O GLY A 39 -0.099 5.438 -12.173 1.00 0.00 O ATOM 0 H GLY A 39 1.804 3.275 -13.886 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.819 3.900 -13.968 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.886 2.603 -12.792 1.00 0.00 H new ATOM 609 N PHE A 40 1.144 3.787 -11.327 1.00 0.00 N ATOM 610 CA PHE A 40 1.813 4.489 -10.200 1.00 0.00 C ATOM 611 C PHE A 40 1.187 5.828 -9.935 1.00 0.00 C ATOM 612 O PHE A 40 1.576 6.791 -10.554 1.00 0.00 O ATOM 613 CB PHE A 40 3.296 4.624 -10.610 1.00 0.00 C ATOM 614 CG PHE A 40 4.002 5.677 -9.804 1.00 0.00 C ATOM 615 CD1 PHE A 40 4.239 5.522 -8.428 1.00 0.00 C ATOM 616 CD2 PHE A 40 4.415 6.833 -10.509 1.00 0.00 C ATOM 617 CE1 PHE A 40 4.909 6.560 -7.747 1.00 0.00 C ATOM 618 CE2 PHE A 40 5.081 7.865 -9.816 1.00 0.00 C ATOM 619 CZ PHE A 40 5.319 7.715 -8.447 1.00 0.00 C ATOM 0 H PHE A 40 1.422 2.808 -11.395 1.00 0.00 H new ATOM 0 HA PHE A 40 1.710 3.932 -9.269 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.799 3.666 -10.477 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.359 4.873 -11.669 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.917 4.633 -7.906 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.222 6.924 -11.568 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.108 6.471 -6.689 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.402 8.756 -10.335 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.829 8.502 -7.912 1.00 0.00 H new ATOM 629 N LYS A 41 0.221 5.888 -9.048 1.00 0.00 N ATOM 630 CA LYS A 41 -0.405 7.205 -8.842 1.00 0.00 C ATOM 631 C LYS A 41 0.177 8.042 -7.712 1.00 0.00 C ATOM 632 O LYS A 41 0.573 9.176 -7.961 1.00 0.00 O ATOM 633 CB LYS A 41 -1.909 7.066 -8.513 1.00 0.00 C ATOM 634 CG LYS A 41 -2.667 8.099 -9.337 1.00 0.00 C ATOM 635 CD LYS A 41 -2.826 9.414 -8.586 1.00 0.00 C ATOM 636 CE LYS A 41 -3.273 10.558 -9.503 1.00 0.00 C ATOM 637 NZ LYS A 41 -2.302 11.674 -9.415 1.00 0.00 N ATOM 0 H LYS A 41 -0.139 5.115 -8.488 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.213 7.709 -9.789 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.259 6.061 -8.746 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.083 7.225 -7.449 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.138 8.277 -10.273 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.651 7.707 -9.596 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.555 9.287 -7.786 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.879 9.678 -8.115 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.345 10.206 -10.532 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.266 10.903 -9.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.607 12.449 -10.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.254 12.016 -8.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.362 11.341 -9.711 1.00 0.00 H new ATOM 651 N GLU A 42 0.229 7.551 -6.520 1.00 0.00 N ATOM 652 CA GLU A 42 0.755 8.352 -5.410 1.00 0.00 C ATOM 653 C GLU A 42 1.349 7.392 -4.364 1.00 0.00 C ATOM 654 O GLU A 42 0.929 6.273 -4.177 1.00 0.00 O ATOM 655 CB GLU A 42 -0.275 9.311 -4.804 1.00 0.00 C ATOM 656 CG GLU A 42 0.472 10.594 -4.413 1.00 0.00 C ATOM 657 CD GLU A 42 -0.258 11.846 -4.914 1.00 0.00 C ATOM 658 OE1 GLU A 42 -0.029 12.199 -6.055 1.00 0.00 O ATOM 659 OE2 GLU A 42 -1.019 12.433 -4.181 1.00 0.00 O ATOM 0 H GLU A 42 -0.077 6.612 -6.267 1.00 0.00 H new ATOM 0 HA GLU A 42 1.535 9.010 -5.795 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.065 9.530 -5.522 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.751 8.863 -3.932 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.574 10.641 -3.329 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.480 10.570 -4.827 1.00 0.00 H new ATOM 666 N VAL A 43 2.350 7.926 -3.705 1.00 0.00 N ATOM 667 CA VAL A 43 3.139 7.253 -2.680 1.00 0.00 C ATOM 668 C VAL A 43 3.338 8.247 -1.537 1.00 0.00 C ATOM 669 O VAL A 43 3.797 9.337 -1.748 1.00 0.00 O ATOM 670 CB VAL A 43 4.489 6.742 -3.209 1.00 0.00 C ATOM 671 CG1 VAL A 43 4.147 5.811 -4.393 1.00 0.00 C ATOM 672 CG2 VAL A 43 5.367 7.853 -3.739 1.00 0.00 C ATOM 0 H VAL A 43 2.657 8.885 -3.870 1.00 0.00 H new ATOM 0 HA VAL A 43 2.607 6.365 -2.340 1.00 0.00 H new ATOM 0 HB VAL A 43 5.033 6.255 -2.399 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.067 5.410 -4.818 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.522 4.990 -4.042 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.610 6.375 -5.156 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.307 7.434 -4.099 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.858 8.359 -4.559 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.570 8.568 -2.942 1.00 0.00 H new ATOM 682 N ARG A 44 2.909 7.780 -0.422 1.00 0.00 N ATOM 683 CA ARG A 44 2.868 8.559 0.857 1.00 0.00 C ATOM 684 C ARG A 44 3.853 7.887 1.834 1.00 0.00 C ATOM 685 O ARG A 44 3.443 7.023 2.551 1.00 0.00 O ATOM 686 CB ARG A 44 1.483 8.623 1.462 1.00 0.00 C ATOM 687 CG ARG A 44 1.044 10.065 1.794 1.00 0.00 C ATOM 688 CD ARG A 44 0.338 10.727 0.619 1.00 0.00 C ATOM 689 NE ARG A 44 0.511 9.892 -0.590 1.00 0.00 N ATOM 690 CZ ARG A 44 -0.529 9.641 -1.342 1.00 0.00 C ATOM 691 NH1 ARG A 44 -1.262 10.613 -1.836 1.00 0.00 N ATOM 692 NH2 ARG A 44 -0.823 8.409 -1.593 1.00 0.00 N ATOM 0 H ARG A 44 2.558 6.827 -0.323 1.00 0.00 H new ATOM 0 HA ARG A 44 3.150 9.592 0.653 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.768 8.180 0.769 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.460 8.022 2.371 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.379 10.052 2.657 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.917 10.655 2.073 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.722 10.851 0.840 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.747 11.723 0.449 1.00 0.00 H new ATOM 0 HE ARG A 44 1.428 9.518 -0.833 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.024 11.584 -1.635 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.069 10.396 -2.421 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.249 7.659 -1.207 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.629 8.186 -2.177 1.00 0.00 H new ATOM 706 N LEU A 45 5.042 8.371 1.748 1.00 0.00 N ATOM 707 CA LEU A 45 6.184 7.969 2.603 1.00 0.00 C ATOM 708 C LEU A 45 6.966 9.260 2.926 1.00 0.00 C ATOM 709 O LEU A 45 7.844 9.685 2.182 1.00 0.00 O ATOM 710 CB LEU A 45 7.116 7.103 1.740 1.00 0.00 C ATOM 711 CG LEU A 45 7.760 5.946 2.543 1.00 0.00 C ATOM 712 CD1 LEU A 45 8.729 6.579 3.553 1.00 0.00 C ATOM 713 CD2 LEU A 45 6.713 5.078 3.210 1.00 0.00 C ATOM 0 H LEU A 45 5.291 9.087 1.065 1.00 0.00 H new ATOM 0 HA LEU A 45 5.854 7.444 3.499 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.552 6.691 0.903 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.902 7.730 1.318 1.00 0.00 H new ATOM 0 HG LEU A 45 8.305 5.275 1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.205 5.795 4.141 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.492 7.146 3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.179 7.246 4.216 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.203 4.277 3.764 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.121 5.684 3.896 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.060 4.647 2.451 1.00 0.00 H new ATOM 725 N VAL A 46 6.625 9.919 3.986 1.00 0.00 N ATOM 726 CA VAL A 46 7.300 11.212 4.276 1.00 0.00 C ATOM 727 C VAL A 46 7.959 11.079 5.651 1.00 0.00 C ATOM 728 O VAL A 46 7.232 10.790 6.575 1.00 0.00 O ATOM 729 CB VAL A 46 6.159 12.271 4.390 1.00 0.00 C ATOM 730 CG1 VAL A 46 6.724 13.548 5.015 1.00 0.00 C ATOM 731 CG2 VAL A 46 5.560 12.570 3.014 1.00 0.00 C ATOM 0 H VAL A 46 5.917 9.628 4.660 1.00 0.00 H new ATOM 0 HA VAL A 46 8.036 11.483 3.519 1.00 0.00 H new ATOM 0 HB VAL A 46 5.364 11.876 5.022 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.933 14.293 5.098 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.118 13.324 6.007 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.525 13.937 4.386 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.767 13.310 3.116 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.337 12.959 2.356 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.149 11.654 2.589 1.00 0.00 H new ATOM 741 N PRO A 47 9.232 11.290 5.634 1.00 0.00 N ATOM 742 CA PRO A 47 10.129 11.244 6.811 1.00 0.00 C ATOM 743 C PRO A 47 9.421 11.657 8.084 1.00 0.00 C ATOM 744 O PRO A 47 8.387 12.286 8.117 1.00 0.00 O ATOM 745 CB PRO A 47 11.397 12.037 6.488 1.00 0.00 C ATOM 746 CG PRO A 47 11.581 11.597 4.995 1.00 0.00 C ATOM 747 CD PRO A 47 10.110 11.612 4.508 1.00 0.00 C ATOM 0 HA PRO A 47 10.434 10.218 7.017 1.00 0.00 H new ATOM 0 HB2 PRO A 47 11.261 13.113 6.597 1.00 0.00 H new ATOM 0 HB3 PRO A 47 12.242 11.757 7.118 1.00 0.00 H new ATOM 0 HG2 PRO A 47 12.210 12.289 4.434 1.00 0.00 H new ATOM 0 HG3 PRO A 47 12.036 10.610 4.907 1.00 0.00 H new ATOM 0 HD2 PRO A 47 9.858 12.592 4.102 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.972 10.889 3.704 1.00 0.00 H new ATOM 755 N GLY A 48 10.038 11.290 9.172 1.00 0.00 N ATOM 756 CA GLY A 48 9.292 11.582 10.449 1.00 0.00 C ATOM 757 C GLY A 48 8.080 10.643 10.168 1.00 0.00 C ATOM 758 O GLY A 48 6.992 11.127 10.164 1.00 0.00 O ATOM 0 H GLY A 48 10.949 10.838 9.247 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.849 11.310 11.346 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.010 12.630 10.554 1.00 0.00 H new ATOM 762 N ARG A 49 8.438 9.439 9.876 1.00 0.00 N ATOM 763 CA ARG A 49 7.530 8.347 9.457 1.00 0.00 C ATOM 764 C ARG A 49 7.884 7.913 8.005 1.00 0.00 C ATOM 765 O ARG A 49 7.211 8.248 7.073 1.00 0.00 O ATOM 766 CB ARG A 49 6.059 8.685 9.489 1.00 0.00 C ATOM 767 CG ARG A 49 5.684 8.825 10.965 1.00 0.00 C ATOM 768 CD ARG A 49 6.197 7.526 11.630 1.00 0.00 C ATOM 769 NE ARG A 49 7.511 7.753 12.309 1.00 0.00 N ATOM 770 CZ ARG A 49 7.737 8.819 13.020 1.00 0.00 C ATOM 771 NH1 ARG A 49 6.970 9.146 14.034 1.00 0.00 N ATOM 772 NH2 ARG A 49 8.732 9.632 12.766 1.00 0.00 N ATOM 0 H ARG A 49 9.413 9.142 9.915 1.00 0.00 H new ATOM 0 HA ARG A 49 7.685 7.554 10.188 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.861 9.610 8.948 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.470 7.903 9.010 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.148 9.706 11.409 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.607 8.934 11.090 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.465 7.171 12.356 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.303 6.745 10.877 1.00 0.00 H new ATOM 0 HE ARG A 49 8.248 7.055 12.212 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.174 8.559 14.281 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.170 9.988 14.574 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.362 9.439 11.988 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.877 10.458 13.347 1.00 0.00 H new ATOM 786 N HIS A 50 8.938 7.135 7.935 1.00 0.00 N ATOM 787 CA HIS A 50 9.454 6.503 6.636 1.00 0.00 C ATOM 788 C HIS A 50 9.079 5.001 6.843 1.00 0.00 C ATOM 789 O HIS A 50 9.752 4.094 6.431 1.00 0.00 O ATOM 790 CB HIS A 50 10.940 6.660 6.393 1.00 0.00 C ATOM 791 CG HIS A 50 11.665 7.321 7.557 1.00 0.00 C ATOM 792 ND1 HIS A 50 11.144 8.316 8.354 1.00 0.00 N ATOM 793 CD2 HIS A 50 12.922 7.117 8.075 1.00 0.00 C ATOM 794 CE1 HIS A 50 12.093 8.627 9.268 1.00 0.00 C ATOM 795 NE2 HIS A 50 13.216 7.931 9.162 1.00 0.00 N ATOM 0 H HIS A 50 9.498 6.891 8.752 1.00 0.00 H new ATOM 0 HA HIS A 50 9.020 6.981 5.758 1.00 0.00 H new ATOM 0 HB2 HIS A 50 11.378 5.679 6.209 1.00 0.00 H new ATOM 0 HB3 HIS A 50 11.095 7.253 5.492 1.00 0.00 H new ATOM 0 HD2 HIS A 50 13.616 6.392 7.675 1.00 0.00 H new ATOM 0 HE1 HIS A 50 11.946 9.383 10.025 1.00 0.00 H new ATOM 0 HE2 HIS A 50 14.065 7.980 9.725 1.00 0.00 H new ATOM 804 N ASP A 51 7.973 4.820 7.542 1.00 0.00 N ATOM 805 CA ASP A 51 7.449 3.465 7.913 1.00 0.00 C ATOM 806 C ASP A 51 5.929 3.325 7.764 1.00 0.00 C ATOM 807 O ASP A 51 5.455 2.214 7.713 1.00 0.00 O ATOM 808 CB ASP A 51 7.931 3.011 9.290 1.00 0.00 C ATOM 809 CG ASP A 51 6.723 2.622 10.142 1.00 0.00 C ATOM 810 OD1 ASP A 51 6.017 3.484 10.646 1.00 0.00 O ATOM 811 OD2 ASP A 51 6.550 1.408 10.244 1.00 0.00 O ATOM 0 H ASP A 51 7.395 5.589 7.880 1.00 0.00 H new ATOM 0 HA ASP A 51 7.880 2.785 7.178 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.609 2.163 9.190 1.00 0.00 H new ATOM 0 HB3 ASP A 51 8.491 3.811 9.775 1.00 0.00 H new ATOM 816 N ILE A 52 5.181 4.406 7.636 1.00 0.00 N ATOM 817 CA ILE A 52 3.729 4.434 7.381 1.00 0.00 C ATOM 818 C ILE A 52 3.575 4.823 5.888 1.00 0.00 C ATOM 819 O ILE A 52 3.850 5.923 5.481 1.00 0.00 O ATOM 820 CB ILE A 52 2.943 5.367 8.274 1.00 0.00 C ATOM 821 CG1 ILE A 52 3.484 6.789 8.187 1.00 0.00 C ATOM 822 CG2 ILE A 52 3.008 4.891 9.742 1.00 0.00 C ATOM 823 CD1 ILE A 52 2.446 7.744 7.570 1.00 0.00 C ATOM 0 H ILE A 52 5.578 5.343 7.709 1.00 0.00 H new ATOM 0 HA ILE A 52 3.308 3.455 7.611 1.00 0.00 H new ATOM 0 HB ILE A 52 1.908 5.358 7.932 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.757 7.139 9.183 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.393 6.799 7.586 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.437 5.574 10.371 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.587 3.889 9.818 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.046 4.874 10.073 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.861 8.751 7.521 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.194 7.407 6.565 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.547 7.752 8.186 1.00 0.00 H new ATOM 835 N ALA A 53 3.166 3.841 5.094 1.00 0.00 N ATOM 836 CA ALA A 53 3.073 3.998 3.647 1.00 0.00 C ATOM 837 C ALA A 53 1.635 3.931 3.164 1.00 0.00 C ATOM 838 O ALA A 53 0.955 2.954 3.434 1.00 0.00 O ATOM 839 CB ALA A 53 3.864 2.837 3.003 1.00 0.00 C ATOM 0 H ALA A 53 2.891 2.919 5.432 1.00 0.00 H new ATOM 0 HA ALA A 53 3.474 4.973 3.369 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.816 2.922 1.917 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.904 2.883 3.325 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.430 1.886 3.312 1.00 0.00 H new ATOM 845 N PHE A 54 1.299 4.987 2.499 1.00 0.00 N ATOM 846 CA PHE A 54 -0.025 5.178 1.797 1.00 0.00 C ATOM 847 C PHE A 54 0.220 5.236 0.267 1.00 0.00 C ATOM 848 O PHE A 54 0.737 6.160 -0.308 1.00 0.00 O ATOM 849 CB PHE A 54 -0.818 6.374 2.290 1.00 0.00 C ATOM 850 CG PHE A 54 -2.247 6.417 1.751 1.00 0.00 C ATOM 851 CD1 PHE A 54 -2.484 6.562 0.390 1.00 0.00 C ATOM 852 CD2 PHE A 54 -3.357 6.316 2.622 1.00 0.00 C ATOM 853 CE1 PHE A 54 -3.805 6.601 -0.089 1.00 0.00 C ATOM 854 CE2 PHE A 54 -4.677 6.352 2.173 1.00 0.00 C ATOM 855 CZ PHE A 54 -4.883 6.497 0.784 1.00 0.00 C ATOM 0 H PHE A 54 1.921 5.789 2.398 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.653 4.320 2.039 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.849 6.356 3.379 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.300 7.288 2.000 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.656 6.645 -0.298 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.174 6.206 3.681 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.985 6.713 -1.148 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.507 6.272 2.859 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.890 6.528 0.394 1.00 0.00 H new ATOM 865 N VAL A 55 -0.155 4.116 -0.359 1.00 0.00 N ATOM 866 CA VAL A 55 0.057 3.852 -1.783 1.00 0.00 C ATOM 867 C VAL A 55 -1.224 3.743 -2.620 1.00 0.00 C ATOM 868 O VAL A 55 -2.004 2.816 -2.651 1.00 0.00 O ATOM 869 CB VAL A 55 0.765 2.472 -1.899 1.00 0.00 C ATOM 870 CG1 VAL A 55 1.179 2.243 -3.329 1.00 0.00 C ATOM 871 CG2 VAL A 55 1.940 2.400 -0.915 1.00 0.00 C ATOM 0 H VAL A 55 -0.626 3.350 0.123 1.00 0.00 H new ATOM 0 HA VAL A 55 0.627 4.698 -2.167 1.00 0.00 H new ATOM 0 HB VAL A 55 0.081 1.668 -1.626 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.676 1.276 -3.414 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.297 2.255 -3.970 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.864 3.031 -3.640 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.430 1.430 -1.003 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.655 3.190 -1.144 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.571 2.529 0.102 1.00 0.00 H new ATOM 881 N GLU A 56 -1.374 4.791 -3.369 1.00 0.00 N ATOM 882 CA GLU A 56 -2.479 5.055 -4.340 1.00 0.00 C ATOM 883 C GLU A 56 -2.022 4.665 -5.765 1.00 0.00 C ATOM 884 O GLU A 56 -1.274 5.305 -6.437 1.00 0.00 O ATOM 885 CB GLU A 56 -2.830 6.539 -4.384 1.00 0.00 C ATOM 886 CG GLU A 56 -4.140 6.713 -5.161 1.00 0.00 C ATOM 887 CD GLU A 56 -4.314 8.135 -5.672 1.00 0.00 C ATOM 888 OE1 GLU A 56 -3.529 8.961 -5.245 1.00 0.00 O ATOM 889 OE2 GLU A 56 -5.220 8.324 -6.471 1.00 0.00 O ATOM 0 H GLU A 56 -0.702 5.557 -3.343 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.342 4.472 -4.018 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.936 6.932 -3.373 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.029 7.102 -4.863 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.157 6.021 -6.003 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.981 6.453 -4.517 1.00 0.00 H new ATOM 896 N PHE A 57 -2.497 3.515 -6.169 1.00 0.00 N ATOM 897 CA PHE A 57 -2.149 2.842 -7.435 1.00 0.00 C ATOM 898 C PHE A 57 -3.279 2.950 -8.482 1.00 0.00 C ATOM 899 O PHE A 57 -4.271 2.311 -8.294 1.00 0.00 O ATOM 900 CB PHE A 57 -1.984 1.331 -7.119 1.00 0.00 C ATOM 901 CG PHE A 57 -0.479 1.081 -7.001 1.00 0.00 C ATOM 902 CD1 PHE A 57 0.271 1.325 -8.171 1.00 0.00 C ATOM 903 CD2 PHE A 57 0.113 0.650 -5.827 1.00 0.00 C ATOM 904 CE1 PHE A 57 1.647 1.126 -8.151 1.00 0.00 C ATOM 905 CE2 PHE A 57 1.506 0.449 -5.828 1.00 0.00 C ATOM 906 CZ PHE A 57 2.262 0.682 -6.974 1.00 0.00 C ATOM 0 H PHE A 57 -3.168 2.983 -5.614 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.249 3.309 -7.836 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.496 1.069 -6.193 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.420 0.718 -7.908 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.219 1.663 -9.073 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.475 0.473 -4.938 1.00 0.00 H new ATOM 0 HE1 PHE A 57 2.237 1.312 -9.036 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.996 0.109 -4.927 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.329 0.519 -6.955 1.00 0.00 H new ATOM 916 N ASP A 58 -3.007 3.767 -9.424 1.00 0.00 N ATOM 917 CA ASP A 58 -3.944 4.097 -10.557 1.00 0.00 C ATOM 918 C ASP A 58 -5.110 3.129 -10.622 1.00 0.00 C ATOM 919 O ASP A 58 -6.262 3.480 -10.662 1.00 0.00 O ATOM 920 CB ASP A 58 -3.188 4.216 -11.888 1.00 0.00 C ATOM 921 CG ASP A 58 -3.600 5.492 -12.625 1.00 0.00 C ATOM 922 OD1 ASP A 58 -4.790 5.633 -12.890 1.00 0.00 O ATOM 923 OD2 ASP A 58 -2.718 6.288 -12.904 1.00 0.00 O ATOM 0 H ASP A 58 -2.119 4.266 -9.480 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.378 5.077 -10.359 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.114 4.226 -11.703 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.396 3.346 -12.511 1.00 0.00 H new ATOM 928 N ASN A 59 -4.793 1.851 -10.618 1.00 0.00 N ATOM 929 CA ASN A 59 -5.828 0.769 -10.650 1.00 0.00 C ATOM 930 C ASN A 59 -5.347 -0.437 -9.811 1.00 0.00 C ATOM 931 O ASN A 59 -4.188 -0.745 -9.734 1.00 0.00 O ATOM 932 CB ASN A 59 -6.140 0.393 -12.082 1.00 0.00 C ATOM 933 CG ASN A 59 -5.982 -1.117 -12.338 1.00 0.00 C ATOM 934 OD1 ASN A 59 -4.902 -1.687 -12.260 1.00 0.00 O ATOM 935 ND2 ASN A 59 -7.030 -1.825 -12.646 1.00 0.00 N ATOM 0 H ASN A 59 -3.833 1.508 -10.593 1.00 0.00 H new ATOM 0 HA ASN A 59 -6.756 1.126 -10.204 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.160 0.695 -12.320 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.480 0.944 -12.752 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -6.937 -2.827 -12.815 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -7.944 -1.378 -12.719 1.00 0.00 H new ATOM 942 N GLU A 60 -6.284 -1.078 -9.201 1.00 0.00 N ATOM 943 CA GLU A 60 -6.076 -2.282 -8.318 1.00 0.00 C ATOM 944 C GLU A 60 -5.321 -3.441 -8.974 1.00 0.00 C ATOM 945 O GLU A 60 -4.785 -4.273 -8.302 1.00 0.00 O ATOM 946 CB GLU A 60 -7.407 -2.733 -7.692 1.00 0.00 C ATOM 947 CG GLU A 60 -8.450 -2.997 -8.759 1.00 0.00 C ATOM 948 CD GLU A 60 -9.696 -2.164 -8.421 1.00 0.00 C ATOM 949 OE1 GLU A 60 -9.572 -1.016 -8.024 1.00 0.00 O ATOM 950 OE2 GLU A 60 -10.754 -2.736 -8.582 1.00 0.00 O ATOM 0 H GLU A 60 -7.265 -0.807 -9.275 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.408 -1.952 -7.522 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.248 -3.636 -7.103 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.769 -1.966 -7.007 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.066 -2.726 -9.743 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.699 -4.058 -8.795 1.00 0.00 H new ATOM 957 N VAL A 61 -5.219 -3.571 -10.277 1.00 0.00 N ATOM 958 CA VAL A 61 -4.430 -4.715 -10.873 1.00 0.00 C ATOM 959 C VAL A 61 -2.944 -4.306 -10.653 1.00 0.00 C ATOM 960 O VAL A 61 -2.053 -5.062 -10.342 1.00 0.00 O ATOM 961 CB VAL A 61 -4.720 -4.861 -12.358 1.00 0.00 C ATOM 962 CG1 VAL A 61 -3.628 -5.772 -12.941 1.00 0.00 C ATOM 963 CG2 VAL A 61 -6.115 -5.499 -12.512 1.00 0.00 C ATOM 0 H VAL A 61 -5.644 -2.940 -10.957 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.681 -5.672 -10.415 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.716 -3.905 -12.881 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.797 -5.905 -14.010 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.651 -5.316 -12.782 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.660 -6.742 -12.445 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.347 -5.615 -13.571 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.123 -6.476 -12.030 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.862 -4.857 -12.045 1.00 0.00 H new ATOM 973 N GLN A 62 -2.750 -3.013 -10.831 1.00 0.00 N ATOM 974 CA GLN A 62 -1.370 -2.427 -10.641 1.00 0.00 C ATOM 975 C GLN A 62 -1.149 -2.253 -9.155 1.00 0.00 C ATOM 976 O GLN A 62 -0.024 -2.380 -8.689 1.00 0.00 O ATOM 977 CB GLN A 62 -1.159 -1.078 -11.340 1.00 0.00 C ATOM 978 CG GLN A 62 -1.917 -0.938 -12.665 1.00 0.00 C ATOM 979 CD GLN A 62 -2.569 0.435 -12.840 1.00 0.00 C ATOM 980 OE1 GLN A 62 -2.497 1.243 -11.955 1.00 0.00 O ATOM 981 NE2 GLN A 62 -3.200 0.746 -13.927 1.00 0.00 N ATOM 0 H GLN A 62 -3.474 -2.345 -11.096 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.657 -3.115 -11.096 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.472 -0.279 -10.668 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.094 -0.939 -11.526 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.228 -1.115 -13.491 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -2.686 -1.709 -12.720 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.269 0.070 -14.688 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -3.628 1.667 -14.023 1.00 0.00 H new ATOM 990 N ALA A 63 -2.126 -1.975 -8.363 1.00 0.00 N ATOM 991 CA ALA A 63 -1.954 -1.791 -6.888 1.00 0.00 C ATOM 992 C ALA A 63 -1.666 -3.221 -6.389 1.00 0.00 C ATOM 993 O ALA A 63 -0.790 -3.461 -5.591 1.00 0.00 O ATOM 994 CB ALA A 63 -3.229 -1.280 -6.234 1.00 0.00 C ATOM 0 H ALA A 63 -3.088 -1.860 -8.682 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.176 -1.065 -6.652 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.065 -1.159 -5.163 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.502 -0.319 -6.670 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.035 -1.995 -6.399 1.00 0.00 H new ATOM 1000 N GLY A 64 -2.461 -4.106 -6.927 1.00 0.00 N ATOM 1001 CA GLY A 64 -2.407 -5.565 -6.629 1.00 0.00 C ATOM 1002 C GLY A 64 -1.064 -6.099 -7.100 1.00 0.00 C ATOM 1003 O GLY A 64 -0.502 -6.982 -6.473 1.00 0.00 O ATOM 0 H GLY A 64 -3.187 -3.859 -7.600 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.531 -5.739 -5.560 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.221 -6.086 -7.133 1.00 0.00 H new ATOM 1007 N ALA A 65 -0.531 -5.608 -8.168 1.00 0.00 N ATOM 1008 CA ALA A 65 0.772 -6.046 -8.725 1.00 0.00 C ATOM 1009 C ALA A 65 1.842 -5.534 -7.786 1.00 0.00 C ATOM 1010 O ALA A 65 2.613 -6.312 -7.241 1.00 0.00 O ATOM 1011 CB ALA A 65 0.951 -5.470 -10.139 1.00 0.00 C ATOM 0 H ALA A 65 -0.975 -4.871 -8.716 1.00 0.00 H new ATOM 0 HA ALA A 65 0.831 -7.131 -8.807 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.909 -5.794 -10.545 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.146 -5.826 -10.782 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.925 -4.381 -10.094 1.00 0.00 H new ATOM 1017 N ALA A 66 1.968 -4.257 -7.532 1.00 0.00 N ATOM 1018 CA ALA A 66 2.973 -3.657 -6.618 1.00 0.00 C ATOM 1019 C ALA A 66 2.884 -4.297 -5.249 1.00 0.00 C ATOM 1020 O ALA A 66 3.826 -4.634 -4.565 1.00 0.00 O ATOM 1021 CB ALA A 66 2.662 -2.156 -6.416 1.00 0.00 C ATOM 0 H ALA A 66 1.361 -3.558 -7.961 1.00 0.00 H new ATOM 0 HA ALA A 66 3.958 -3.808 -7.059 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.401 -1.718 -5.745 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.697 -1.644 -7.378 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.668 -2.045 -5.983 1.00 0.00 H new ATOM 1027 N ARG A 67 1.652 -4.483 -4.840 1.00 0.00 N ATOM 1028 CA ARG A 67 1.334 -5.114 -3.538 1.00 0.00 C ATOM 1029 C ARG A 67 1.832 -6.566 -3.604 1.00 0.00 C ATOM 1030 O ARG A 67 2.579 -6.940 -2.750 1.00 0.00 O ATOM 1031 CB ARG A 67 -0.171 -5.150 -3.241 1.00 0.00 C ATOM 1032 CG ARG A 67 -0.469 -5.587 -1.781 1.00 0.00 C ATOM 1033 CD ARG A 67 -0.356 -7.119 -1.681 1.00 0.00 C ATOM 1034 NE ARG A 67 -1.579 -7.721 -1.057 1.00 0.00 N ATOM 1035 CZ ARG A 67 -1.659 -7.861 0.228 1.00 0.00 C ATOM 1036 NH1 ARG A 67 -2.078 -6.857 0.951 1.00 0.00 N ATOM 1037 NH2 ARG A 67 -1.320 -9.001 0.756 1.00 0.00 N ATOM 0 H ARG A 67 0.831 -4.211 -5.381 1.00 0.00 H new ATOM 0 HA ARG A 67 1.811 -4.529 -2.752 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.598 -4.163 -3.418 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.660 -5.837 -3.931 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.233 -5.113 -1.096 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -1.468 -5.264 -1.488 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.209 -7.540 -2.676 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.522 -7.382 -1.091 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.353 -8.022 -1.649 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.337 -5.978 0.502 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.147 -6.952 1.964 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.999 -9.764 0.160 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -1.376 -9.132 1.766 1.00 0.00 H new ATOM 1051 N ASP A 68 1.434 -7.333 -4.582 1.00 0.00 N ATOM 1052 CA ASP A 68 1.866 -8.754 -4.741 1.00 0.00 C ATOM 1053 C ASP A 68 3.403 -8.878 -4.903 1.00 0.00 C ATOM 1054 O ASP A 68 4.019 -9.873 -4.598 1.00 0.00 O ATOM 1055 CB ASP A 68 1.183 -9.480 -5.909 1.00 0.00 C ATOM 1056 CG ASP A 68 -0.051 -10.212 -5.393 1.00 0.00 C ATOM 1057 OD1 ASP A 68 0.142 -11.095 -4.576 1.00 0.00 O ATOM 1058 OD2 ASP A 68 -1.140 -9.891 -5.805 1.00 0.00 O ATOM 0 H ASP A 68 0.796 -7.017 -5.312 1.00 0.00 H new ATOM 0 HA ASP A 68 1.553 -9.239 -3.817 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.900 -8.765 -6.681 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.874 -10.187 -6.367 1.00 0.00 H new ATOM 1063 N ALA A 69 3.979 -7.816 -5.395 1.00 0.00 N ATOM 1064 CA ALA A 69 5.463 -7.730 -5.626 1.00 0.00 C ATOM 1065 C ALA A 69 6.109 -7.578 -4.233 1.00 0.00 C ATOM 1066 O ALA A 69 7.030 -8.325 -3.944 1.00 0.00 O ATOM 1067 CB ALA A 69 5.838 -6.547 -6.509 1.00 0.00 C ATOM 0 H ALA A 69 3.470 -6.972 -5.658 1.00 0.00 H new ATOM 0 HA ALA A 69 5.814 -8.622 -6.146 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.919 -6.525 -6.648 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.349 -6.647 -7.478 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.515 -5.621 -6.033 1.00 0.00 H new ATOM 1073 N LEU A 70 5.640 -6.665 -3.423 1.00 0.00 N ATOM 1074 CA LEU A 70 6.257 -6.510 -2.049 1.00 0.00 C ATOM 1075 C LEU A 70 5.115 -6.843 -1.056 1.00 0.00 C ATOM 1076 O LEU A 70 4.870 -6.155 -0.088 1.00 0.00 O ATOM 1077 CB LEU A 70 6.820 -5.113 -1.820 1.00 0.00 C ATOM 1078 CG LEU A 70 5.725 -4.045 -1.724 1.00 0.00 C ATOM 1079 CD1 LEU A 70 5.840 -3.272 -0.411 1.00 0.00 C ATOM 1080 CD2 LEU A 70 5.912 -3.026 -2.856 1.00 0.00 C ATOM 0 H LEU A 70 4.873 -6.027 -3.636 1.00 0.00 H new ATOM 0 HA LEU A 70 7.113 -7.172 -1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.408 -5.108 -0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.498 -4.860 -2.635 1.00 0.00 H new ATOM 0 HG LEU A 70 4.759 -4.546 -1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.054 -2.519 -0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.735 -3.961 0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.813 -2.784 -0.360 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.135 -2.264 -2.792 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.891 -2.555 -2.764 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.843 -3.534 -3.818 1.00 0.00 H new ATOM 1092 N GLN A 71 4.428 -7.907 -1.326 1.00 0.00 N ATOM 1093 CA GLN A 71 3.273 -8.395 -0.484 1.00 0.00 C ATOM 1094 C GLN A 71 3.712 -9.081 0.797 1.00 0.00 C ATOM 1095 O GLN A 71 2.951 -9.492 1.646 1.00 0.00 O ATOM 1096 CB GLN A 71 2.443 -9.328 -1.368 1.00 0.00 C ATOM 1097 CG GLN A 71 2.503 -10.770 -0.929 1.00 0.00 C ATOM 1098 CD GLN A 71 3.929 -11.340 -0.962 1.00 0.00 C ATOM 1099 OE1 GLN A 71 4.501 -11.662 0.059 1.00 0.00 O ATOM 1100 NE2 GLN A 71 4.529 -11.475 -2.108 1.00 0.00 N ATOM 0 H GLN A 71 4.619 -8.499 -2.135 1.00 0.00 H new ATOM 0 HA GLN A 71 2.683 -7.543 -0.148 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.405 -8.996 -1.362 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.796 -9.253 -2.397 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.105 -10.855 0.082 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.861 -11.369 -1.575 1.00 0.00 H new ATOM 0 HE21 GLN A 71 4.052 -11.206 -2.968 1.00 0.00 H new ATOM 0 HE22 GLN A 71 5.477 -11.850 -2.146 1.00 0.00 H new ATOM 1109 N GLY A 72 4.985 -9.221 0.962 1.00 0.00 N ATOM 1110 CA GLY A 72 5.469 -9.900 2.192 1.00 0.00 C ATOM 1111 C GLY A 72 6.943 -9.478 2.371 1.00 0.00 C ATOM 1112 O GLY A 72 7.787 -10.315 2.554 1.00 0.00 O ATOM 0 H GLY A 72 5.706 -8.903 0.315 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.874 -9.608 3.057 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.384 -10.983 2.097 1.00 0.00 H new ATOM 1116 N PHE A 73 7.129 -8.200 2.298 1.00 0.00 N ATOM 1117 CA PHE A 73 8.497 -7.658 2.455 1.00 0.00 C ATOM 1118 C PHE A 73 8.959 -8.009 3.883 1.00 0.00 C ATOM 1119 O PHE A 73 8.814 -7.245 4.800 1.00 0.00 O ATOM 1120 CB PHE A 73 8.459 -6.156 2.221 1.00 0.00 C ATOM 1121 CG PHE A 73 9.838 -5.642 1.825 1.00 0.00 C ATOM 1122 CD1 PHE A 73 10.893 -5.635 2.726 1.00 0.00 C ATOM 1123 CD2 PHE A 73 10.048 -5.169 0.531 1.00 0.00 C ATOM 1124 CE1 PHE A 73 12.160 -5.153 2.317 1.00 0.00 C ATOM 1125 CE2 PHE A 73 11.297 -4.681 0.092 1.00 0.00 C ATOM 1126 CZ PHE A 73 12.348 -4.680 1.004 1.00 0.00 C ATOM 0 H PHE A 73 6.397 -7.508 2.137 1.00 0.00 H new ATOM 0 HA PHE A 73 9.198 -8.083 1.736 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.739 -5.922 1.437 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.122 -5.650 3.125 1.00 0.00 H new ATOM 0 HD1 PHE A 73 10.749 -5.995 3.734 1.00 0.00 H new ATOM 0 HD2 PHE A 73 9.221 -5.176 -0.164 1.00 0.00 H new ATOM 0 HE1 PHE A 73 12.985 -5.148 3.014 1.00 0.00 H new ATOM 0 HE2 PHE A 73 11.433 -4.321 -0.917 1.00 0.00 H new ATOM 0 HZ PHE A 73 13.318 -4.313 0.702 1.00 0.00 H new ATOM 1136 N LYS A 74 9.508 -9.196 3.978 1.00 0.00 N ATOM 1137 CA LYS A 74 10.019 -9.686 5.304 1.00 0.00 C ATOM 1138 C LYS A 74 11.248 -8.799 5.607 1.00 0.00 C ATOM 1139 O LYS A 74 12.346 -9.204 5.335 1.00 0.00 O ATOM 1140 CB LYS A 74 10.415 -11.154 5.245 1.00 0.00 C ATOM 1141 CG LYS A 74 11.259 -11.424 3.981 1.00 0.00 C ATOM 1142 CD LYS A 74 12.624 -11.977 4.397 1.00 0.00 C ATOM 1143 CE LYS A 74 13.227 -12.643 3.148 1.00 0.00 C ATOM 1144 NZ LYS A 74 13.141 -11.712 2.002 1.00 0.00 N ATOM 0 H LYS A 74 9.626 -9.846 3.201 1.00 0.00 H new ATOM 0 HA LYS A 74 9.255 -9.617 6.078 1.00 0.00 H new ATOM 0 HB2 LYS A 74 10.984 -11.422 6.136 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.522 -11.780 5.237 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.747 -12.135 3.332 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.384 -10.504 3.409 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.271 -11.179 4.761 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.519 -12.698 5.208 1.00 0.00 H new ATOM 0 HE2 LYS A 74 14.267 -12.913 3.333 1.00 0.00 H new ATOM 0 HE3 LYS A 74 12.693 -13.566 2.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.847 -11.977 1.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.190 -11.762 1.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 13.326 -10.742 2.328 1.00 0.00 H new ATOM 1158 N ILE A 75 10.964 -7.652 6.144 1.00 0.00 N ATOM 1159 CA ILE A 75 12.037 -6.690 6.491 1.00 0.00 C ATOM 1160 C ILE A 75 13.203 -7.375 7.234 1.00 0.00 C ATOM 1161 O ILE A 75 14.339 -6.997 7.115 1.00 0.00 O ATOM 1162 CB ILE A 75 11.410 -5.576 7.326 1.00 0.00 C ATOM 1163 CG1 ILE A 75 10.944 -4.473 6.371 1.00 0.00 C ATOM 1164 CG2 ILE A 75 12.442 -4.958 8.273 1.00 0.00 C ATOM 1165 CD1 ILE A 75 9.417 -4.489 6.184 1.00 0.00 C ATOM 0 H ILE A 75 10.019 -7.336 6.361 1.00 0.00 H new ATOM 0 HA ILE A 75 12.471 -6.274 5.582 1.00 0.00 H new ATOM 0 HB ILE A 75 10.587 -5.992 7.908 1.00 0.00 H new ATOM 0 HG12 ILE A 75 11.253 -3.502 6.758 1.00 0.00 H new ATOM 0 HG13 ILE A 75 11.430 -4.600 5.404 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.972 -4.167 8.857 1.00 0.00 H new ATOM 0 HG22 ILE A 75 12.825 -5.726 8.945 1.00 0.00 H new ATOM 0 HG23 ILE A 75 13.264 -4.540 7.692 1.00 0.00 H new ATOM 0 HD11 ILE A 75 9.126 -3.692 5.500 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.111 -5.451 5.772 1.00 0.00 H new ATOM 0 HD13 ILE A 75 8.931 -4.336 7.147 1.00 0.00 H new ATOM 1177 N THR A 76 12.823 -8.391 7.988 1.00 0.00 N ATOM 1178 CA THR A 76 13.901 -9.102 8.736 1.00 0.00 C ATOM 1179 C THR A 76 13.764 -10.639 8.615 1.00 0.00 C ATOM 1180 O THR A 76 14.762 -11.294 8.466 1.00 0.00 O ATOM 1181 CB THR A 76 13.771 -8.681 10.211 1.00 0.00 C ATOM 1182 OG1 THR A 76 13.846 -7.275 10.293 1.00 0.00 O ATOM 1183 CG2 THR A 76 14.914 -9.330 10.996 1.00 0.00 C ATOM 0 H THR A 76 11.871 -8.737 8.110 1.00 0.00 H new ATOM 0 HA THR A 76 14.875 -8.838 8.324 1.00 0.00 H new ATOM 0 HB THR A 76 12.817 -9.004 10.629 1.00 0.00 H new ATOM 0 HG1 THR A 76 13.923 -7.006 11.232 1.00 0.00 H new ATOM 0 HG21 THR A 76 14.842 -9.045 12.046 1.00 0.00 H new ATOM 0 HG22 THR A 76 14.846 -10.414 10.909 1.00 0.00 H new ATOM 0 HG23 THR A 76 15.869 -8.993 10.593 1.00 0.00 H new ATOM 1191 N GLN A 77 12.553 -11.068 8.691 1.00 0.00 N ATOM 1192 CA GLN A 77 12.166 -12.518 8.620 1.00 0.00 C ATOM 1193 C GLN A 77 10.964 -12.656 9.588 1.00 0.00 C ATOM 1194 O GLN A 77 9.977 -13.297 9.310 1.00 0.00 O ATOM 1195 CB GLN A 77 13.319 -13.418 9.031 1.00 0.00 C ATOM 1196 CG GLN A 77 12.825 -14.796 9.497 1.00 0.00 C ATOM 1197 CD GLN A 77 13.613 -15.843 8.712 1.00 0.00 C ATOM 1198 OE1 GLN A 77 13.169 -16.167 7.617 1.00 0.00 O ATOM 1199 NE2 GLN A 77 14.704 -16.357 9.205 1.00 0.00 N ATOM 0 H GLN A 77 11.754 -10.444 8.807 1.00 0.00 H new ATOM 0 HA GLN A 77 11.907 -12.823 7.606 1.00 0.00 H new ATOM 0 HB2 GLN A 77 14.002 -13.541 8.191 1.00 0.00 H new ATOM 0 HB3 GLN A 77 13.883 -12.943 9.834 1.00 0.00 H new ATOM 0 HG2 GLN A 77 12.981 -14.919 10.569 1.00 0.00 H new ATOM 0 HG3 GLN A 77 11.755 -14.903 9.317 1.00 0.00 H new ATOM 0 HE21 GLN A 77 15.039 -16.059 10.121 1.00 0.00 H new ATOM 0 HE22 GLN A 77 15.223 -17.057 8.675 1.00 0.00 H new ATOM 1208 N ASN A 78 11.135 -12.006 10.714 1.00 0.00 N ATOM 1209 CA ASN A 78 10.100 -11.984 11.793 1.00 0.00 C ATOM 1210 C ASN A 78 9.330 -10.653 11.618 1.00 0.00 C ATOM 1211 O ASN A 78 8.186 -10.511 11.960 1.00 0.00 O ATOM 1212 CB ASN A 78 10.811 -11.977 13.138 1.00 0.00 C ATOM 1213 CG ASN A 78 9.955 -12.752 14.164 1.00 0.00 C ATOM 1214 OD1 ASN A 78 9.462 -12.164 15.106 1.00 0.00 O ATOM 1215 ND2 ASN A 78 9.776 -14.022 14.004 1.00 0.00 N ATOM 0 H ASN A 78 11.976 -11.474 10.935 1.00 0.00 H new ATOM 0 HA ASN A 78 9.431 -12.843 11.743 1.00 0.00 H new ATOM 0 HB2 ASN A 78 11.795 -12.436 13.046 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.967 -10.953 13.476 1.00 0.00 H new ATOM 0 HD21 ASN A 78 9.214 -14.546 14.674 1.00 0.00 H new ATOM 0 HD22 ASN A 78 10.197 -14.500 13.207 1.00 0.00 H new ATOM 1222 N ASN A 79 10.049 -9.709 11.060 1.00 0.00 N ATOM 1223 CA ASN A 79 9.511 -8.340 10.789 1.00 0.00 C ATOM 1224 C ASN A 79 9.082 -8.319 9.306 1.00 0.00 C ATOM 1225 O ASN A 79 9.962 -8.386 8.453 1.00 0.00 O ATOM 1226 CB ASN A 79 10.599 -7.283 10.944 1.00 0.00 C ATOM 1227 CG ASN A 79 11.353 -7.434 12.261 1.00 0.00 C ATOM 1228 OD1 ASN A 79 11.626 -8.504 12.743 1.00 0.00 O ATOM 1229 ND2 ASN A 79 11.722 -6.349 12.894 1.00 0.00 N ATOM 0 H ASN A 79 11.019 -9.837 10.772 1.00 0.00 H new ATOM 0 HA ASN A 79 8.697 -8.127 11.482 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.300 -7.359 10.113 1.00 0.00 H new ATOM 0 HB3 ASN A 79 10.151 -6.291 10.893 1.00 0.00 H new ATOM 0 HD21 ASN A 79 12.229 -6.421 13.776 1.00 0.00 H new ATOM 0 HD22 ASN A 79 11.502 -5.432 12.505 1.00 0.00 H new ATOM 1236 N ALA A 80 7.818 -8.230 9.044 1.00 0.00 N ATOM 1237 CA ALA A 80 7.259 -8.196 7.663 1.00 0.00 C ATOM 1238 C ALA A 80 6.367 -6.954 7.534 1.00 0.00 C ATOM 1239 O ALA A 80 5.538 -6.655 8.363 1.00 0.00 O ATOM 1240 CB ALA A 80 6.469 -9.479 7.364 1.00 0.00 C ATOM 0 H ALA A 80 7.105 -8.176 9.771 1.00 0.00 H new ATOM 0 HA ALA A 80 8.068 -8.141 6.935 1.00 0.00 H new ATOM 0 HB1 ALA A 80 6.070 -9.433 6.351 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.129 -10.342 7.455 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.647 -9.574 8.074 1.00 0.00 H new ATOM 1246 N MET A 81 6.569 -6.241 6.463 1.00 0.00 N ATOM 1247 CA MET A 81 5.760 -5.000 6.227 1.00 0.00 C ATOM 1248 C MET A 81 4.270 -5.244 6.338 1.00 0.00 C ATOM 1249 O MET A 81 3.839 -6.344 6.046 1.00 0.00 O ATOM 1250 CB MET A 81 6.160 -4.437 4.848 1.00 0.00 C ATOM 1251 CG MET A 81 4.964 -4.177 3.958 1.00 0.00 C ATOM 1252 SD MET A 81 4.596 -5.692 3.003 1.00 0.00 S ATOM 1253 CE MET A 81 2.792 -5.673 3.171 1.00 0.00 C ATOM 0 H MET A 81 7.255 -6.457 5.740 1.00 0.00 H new ATOM 0 HA MET A 81 5.978 -4.269 7.005 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.715 -3.509 4.985 1.00 0.00 H new ATOM 0 HB3 MET A 81 6.831 -5.139 4.353 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.101 -3.892 4.560 1.00 0.00 H new ATOM 0 HG3 MET A 81 5.170 -3.346 3.283 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.449 -6.646 3.522 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.501 -4.905 3.888 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.339 -5.456 2.204 1.00 0.00 H new ATOM 1263 N LYS A 82 3.447 -4.274 6.713 1.00 0.00 N ATOM 1264 CA LYS A 82 1.987 -4.450 6.794 1.00 0.00 C ATOM 1265 C LYS A 82 1.348 -3.264 6.006 1.00 0.00 C ATOM 1266 O LYS A 82 1.569 -2.150 6.416 1.00 0.00 O ATOM 1267 CB LYS A 82 1.544 -4.537 8.253 1.00 0.00 C ATOM 1268 CG LYS A 82 2.485 -5.474 9.054 1.00 0.00 C ATOM 1269 CD LYS A 82 2.218 -6.929 8.731 1.00 0.00 C ATOM 1270 CE LYS A 82 0.713 -7.234 8.611 1.00 0.00 C ATOM 1271 NZ LYS A 82 0.464 -8.666 8.928 1.00 0.00 N ATOM 0 H LYS A 82 3.764 -3.340 6.971 1.00 0.00 H new ATOM 0 HA LYS A 82 1.655 -5.386 6.344 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.546 -3.543 8.699 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.521 -4.908 8.306 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.523 -5.233 8.825 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.347 -5.305 10.122 1.00 0.00 H new ATOM 0 HD2 LYS A 82 2.715 -7.189 7.796 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.653 -7.557 9.508 1.00 0.00 H new ATOM 0 HE2 LYS A 82 0.148 -6.597 9.292 1.00 0.00 H new ATOM 0 HE3 LYS A 82 0.366 -7.009 7.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -0.553 -8.868 8.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.991 -9.266 8.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.780 -8.867 9.898 1.00 0.00 H new ATOM 1285 N ILE A 83 0.692 -3.677 4.956 1.00 0.00 N ATOM 1286 CA ILE A 83 0.041 -2.846 3.916 1.00 0.00 C ATOM 1287 C ILE A 83 -1.421 -3.356 3.850 1.00 0.00 C ATOM 1288 O ILE A 83 -1.660 -4.516 3.642 1.00 0.00 O ATOM 1289 CB ILE A 83 0.781 -3.115 2.577 1.00 0.00 C ATOM 1290 CG1 ILE A 83 2.166 -2.443 2.637 1.00 0.00 C ATOM 1291 CG2 ILE A 83 -0.035 -2.595 1.411 1.00 0.00 C ATOM 1292 CD1 ILE A 83 2.991 -2.711 1.388 1.00 0.00 C ATOM 0 H ILE A 83 0.576 -4.673 4.769 1.00 0.00 H new ATOM 0 HA ILE A 83 0.069 -1.776 4.120 1.00 0.00 H new ATOM 0 HB ILE A 83 0.911 -4.187 2.429 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.041 -1.368 2.763 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.706 -2.806 3.511 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.496 -2.790 0.479 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.002 -3.098 1.390 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.187 -1.522 1.523 1.00 0.00 H new ATOM 0 HD11 ILE A 83 3.958 -2.217 1.478 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.141 -3.785 1.275 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.466 -2.324 0.515 1.00 0.00 H new ATOM 1304 N SER A 84 -2.261 -2.420 4.097 1.00 0.00 N ATOM 1305 CA SER A 84 -3.750 -2.622 4.216 1.00 0.00 C ATOM 1306 C SER A 84 -4.456 -1.843 3.097 1.00 0.00 C ATOM 1307 O SER A 84 -4.558 -0.671 3.214 1.00 0.00 O ATOM 1308 CB SER A 84 -4.267 -2.225 5.596 1.00 0.00 C ATOM 1309 OG SER A 84 -5.618 -2.646 5.722 1.00 0.00 O ATOM 0 H SER A 84 -1.977 -1.450 4.234 1.00 0.00 H new ATOM 0 HA SER A 84 -3.973 -3.683 4.102 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.656 -2.683 6.373 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.195 -1.146 5.729 1.00 0.00 H new ATOM 0 HG SER A 84 -5.957 -2.396 6.607 1.00 0.00 H new ATOM 1315 N PHE A 85 -4.860 -2.548 2.108 1.00 0.00 N ATOM 1316 CA PHE A 85 -5.596 -1.950 0.943 1.00 0.00 C ATOM 1317 C PHE A 85 -6.711 -1.003 1.376 1.00 0.00 C ATOM 1318 O PHE A 85 -7.887 -1.284 1.191 1.00 0.00 O ATOM 1319 CB PHE A 85 -6.306 -3.093 0.188 1.00 0.00 C ATOM 1320 CG PHE A 85 -5.411 -3.849 -0.731 1.00 0.00 C ATOM 1321 CD1 PHE A 85 -5.141 -3.351 -2.012 1.00 0.00 C ATOM 1322 CD2 PHE A 85 -4.856 -5.063 -0.295 1.00 0.00 C ATOM 1323 CE1 PHE A 85 -4.309 -4.043 -2.894 1.00 0.00 C ATOM 1324 CE2 PHE A 85 -4.023 -5.737 -1.206 1.00 0.00 C ATOM 1325 CZ PHE A 85 -3.741 -5.261 -2.481 1.00 0.00 C ATOM 0 H PHE A 85 -4.715 -3.555 2.036 1.00 0.00 H new ATOM 0 HA PHE A 85 -4.862 -1.408 0.346 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -6.735 -3.784 0.913 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -7.135 -2.678 -0.386 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -5.584 -2.416 -2.323 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.058 -5.459 0.689 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -4.105 -3.649 -3.879 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.580 -6.673 -0.899 1.00 0.00 H new ATOM 0 HZ PHE A 85 -3.096 -5.818 -3.144 1.00 0.00 H new ATOM 1335 N ALA A 86 -6.443 0.121 1.953 1.00 0.00 N ATOM 1336 CA ALA A 86 -7.447 1.089 2.412 1.00 0.00 C ATOM 1337 C ALA A 86 -8.629 0.455 3.134 1.00 0.00 C ATOM 1338 O ALA A 86 -9.631 1.142 3.269 1.00 0.00 O ATOM 1339 CB ALA A 86 -7.965 1.867 1.183 1.00 0.00 C ATOM 0 H ALA A 86 -5.487 0.425 2.136 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.959 1.741 3.136 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.713 2.593 1.501 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.135 2.387 0.705 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.413 1.171 0.474 1.00 0.00 H new