USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 592 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 49 SER OG : rot 100:sc= 0.581 USER MOD Set 1.2: A 51 GLN : amide:sc= 0.642 K(o=1.2,f=0.59) USER MOD Set 2.1: A 43 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 42 TYR OH : rot 159:sc= 1.23 USER MOD Set 3.2: A 83 GLN : amide:sc= 1.98 K(o=3.2,f=2.1) USER MOD Set 4.1: A 12 HIS : no HE2:sc= 0.505 K(o=1.8,f=-5.9) USER MOD Set 4.2: A 28 LYS NZ :NH3+ -148:sc= 1.27 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0.76 K(o=0.76,f=-0.6) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0.703 K(o=0.7,f=0) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 26 GLN : amide:sc= -0.0376 X(o=-0.038,f=-0.45) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -145:sc= 0.769 (180deg=0.2) USER MOD Single : A 32 HIS : no HD1:sc= -0.359 X(o=-0.36,f=-0.64) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.502 X(o=-0.5,f=-0.13) USER MOD Single : A 60 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.17) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc= 1.02 K(o=1,f=-6.5!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -132:sc= -0.0102 (180deg=-0.109) USER MOD Single : A 78 THR OG1 : rot 54:sc= 0.00401 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD ----------------------------------------------------------------- ATOM 145 N GLU A 11 14.601 -11.539 -6.645 1.00 0.00 N ATOM 146 CA GLU A 11 14.399 -11.319 -5.213 1.00 0.00 C ATOM 147 C GLU A 11 13.279 -10.366 -4.789 1.00 0.00 C ATOM 148 O GLU A 11 13.493 -9.294 -4.214 1.00 0.00 O ATOM 149 CB GLU A 11 15.771 -11.015 -4.548 1.00 0.00 C ATOM 150 CG GLU A 11 15.845 -11.158 -3.004 1.00 0.00 C ATOM 151 CD GLU A 11 15.581 -12.564 -2.510 1.00 0.00 C ATOM 152 OE1 GLU A 11 16.067 -13.538 -3.148 1.00 0.00 O ATOM 153 OE2 GLU A 11 14.896 -12.699 -1.461 1.00 0.00 O ATOM 0 HA GLU A 11 13.994 -12.255 -4.829 1.00 0.00 H new ATOM 0 HB2 GLU A 11 16.516 -11.678 -4.987 1.00 0.00 H new ATOM 0 HB3 GLU A 11 16.057 -9.996 -4.809 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.832 -10.843 -2.666 1.00 0.00 H new ATOM 0 HG3 GLU A 11 15.121 -10.481 -2.550 1.00 0.00 H new ATOM 160 N HIS A 12 12.023 -10.750 -5.090 1.00 0.00 N ATOM 161 CA HIS A 12 10.858 -9.915 -4.872 1.00 0.00 C ATOM 162 C HIS A 12 9.850 -10.539 -3.923 1.00 0.00 C ATOM 163 O HIS A 12 9.850 -11.745 -3.679 1.00 0.00 O ATOM 164 CB HIS A 12 10.173 -9.548 -6.216 1.00 0.00 C ATOM 165 CG HIS A 12 9.726 -10.692 -7.105 1.00 0.00 C ATOM 166 ND1 HIS A 12 8.998 -11.800 -6.711 1.00 0.00 N ATOM 167 CD2 HIS A 12 9.827 -10.782 -8.459 1.00 0.00 C ATOM 168 CE1 HIS A 12 8.695 -12.495 -7.834 1.00 0.00 C ATOM 169 NE2 HIS A 12 9.154 -11.903 -8.922 1.00 0.00 N ATOM 0 H HIS A 12 11.802 -11.660 -5.495 1.00 0.00 H new ATOM 0 HA HIS A 12 11.224 -9.004 -4.397 1.00 0.00 H new ATOM 0 HB2 HIS A 12 9.301 -8.934 -5.993 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.863 -8.927 -6.787 1.00 0.00 H new ATOM 0 HD1 HIS A 12 8.738 -12.047 -5.756 1.00 0.00 H new ATOM 0 HD2 HIS A 12 10.357 -10.079 -9.085 1.00 0.00 H new ATOM 0 HE1 HIS A 12 8.143 -13.423 -7.839 1.00 0.00 H new ATOM 177 N ILE A 13 8.951 -9.708 -3.366 1.00 0.00 N ATOM 178 CA ILE A 13 7.854 -10.137 -2.508 1.00 0.00 C ATOM 179 C ILE A 13 6.557 -9.500 -2.997 1.00 0.00 C ATOM 180 O ILE A 13 6.563 -8.369 -3.487 1.00 0.00 O ATOM 181 CB ILE A 13 8.097 -9.783 -1.039 1.00 0.00 C ATOM 182 CG1 ILE A 13 8.500 -8.301 -0.833 1.00 0.00 C ATOM 183 CG2 ILE A 13 9.167 -10.755 -0.488 1.00 0.00 C ATOM 184 CD1 ILE A 13 8.577 -7.911 0.647 1.00 0.00 C ATOM 0 H ILE A 13 8.976 -8.698 -3.509 1.00 0.00 H new ATOM 0 HA ILE A 13 7.783 -11.223 -2.566 1.00 0.00 H new ATOM 0 HB ILE A 13 7.165 -9.897 -0.486 1.00 0.00 H new ATOM 0 HG12 ILE A 13 9.467 -8.123 -1.303 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.778 -7.659 -1.337 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.361 -10.526 0.560 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.807 -11.780 -0.575 1.00 0.00 H new ATOM 0 HG23 ILE A 13 10.088 -10.645 -1.060 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.863 -6.863 0.733 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.603 -8.061 1.114 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.319 -8.532 1.149 1.00 0.00 H new ATOM 196 N ASN A 14 5.409 -10.213 -2.919 1.00 0.00 N ATOM 197 CA ASN A 14 4.109 -9.683 -3.325 1.00 0.00 C ATOM 198 C ASN A 14 3.266 -9.197 -2.147 1.00 0.00 C ATOM 199 O ASN A 14 3.306 -9.745 -1.046 1.00 0.00 O ATOM 200 CB ASN A 14 3.225 -10.719 -4.075 1.00 0.00 C ATOM 201 CG ASN A 14 3.803 -11.158 -5.415 1.00 0.00 C ATOM 202 OD1 ASN A 14 3.298 -10.789 -6.480 1.00 0.00 O ATOM 203 ND2 ASN A 14 4.846 -12.014 -5.387 1.00 0.00 N ATOM 0 H ASN A 14 5.370 -11.171 -2.571 1.00 0.00 H new ATOM 0 HA ASN A 14 4.377 -8.857 -3.983 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.091 -11.596 -3.442 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.236 -10.290 -4.238 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.236 -12.372 -6.259 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.245 -12.303 -4.494 1.00 0.00 H new ATOM 210 N LEU A 15 2.432 -8.168 -2.389 1.00 0.00 N ATOM 211 CA LEU A 15 1.442 -7.673 -1.444 1.00 0.00 C ATOM 212 C LEU A 15 0.052 -7.814 -2.053 1.00 0.00 C ATOM 213 O LEU A 15 -0.108 -7.797 -3.274 1.00 0.00 O ATOM 214 CB LEU A 15 1.672 -6.190 -1.050 1.00 0.00 C ATOM 215 CG LEU A 15 2.975 -5.916 -0.265 1.00 0.00 C ATOM 216 CD1 LEU A 15 4.202 -5.689 -1.166 1.00 0.00 C ATOM 217 CD2 LEU A 15 2.790 -4.704 0.660 1.00 0.00 C ATOM 0 H LEU A 15 2.437 -7.654 -3.270 1.00 0.00 H new ATOM 0 HA LEU A 15 1.537 -8.270 -0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.679 -5.586 -1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.827 -5.854 -0.449 1.00 0.00 H new ATOM 0 HG LEU A 15 3.172 -6.816 0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.079 -5.503 -0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.372 -6.574 -1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.025 -4.829 -1.812 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.714 -4.520 1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.541 -3.826 0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.984 -4.904 1.365 1.00 0.00 H new ATOM 229 N LYS A 16 -0.991 -7.978 -1.214 1.00 0.00 N ATOM 230 CA LYS A 16 -2.367 -8.177 -1.632 1.00 0.00 C ATOM 231 C LYS A 16 -3.250 -7.049 -1.102 1.00 0.00 C ATOM 232 O LYS A 16 -3.395 -6.866 0.105 1.00 0.00 O ATOM 233 CB LYS A 16 -2.924 -9.521 -1.081 1.00 0.00 C ATOM 234 CG LYS A 16 -2.079 -10.776 -1.381 1.00 0.00 C ATOM 235 CD LYS A 16 -1.942 -11.108 -2.878 1.00 0.00 C ATOM 236 CE LYS A 16 -1.219 -12.434 -3.167 1.00 0.00 C ATOM 237 NZ LYS A 16 -2.080 -13.588 -2.853 1.00 0.00 N ATOM 0 H LYS A 16 -0.881 -7.973 -0.200 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.380 -8.190 -2.722 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.033 -9.430 -0.000 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.923 -9.673 -1.491 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.083 -10.638 -0.959 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.525 -11.630 -0.871 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.936 -11.145 -3.323 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.403 -10.299 -3.370 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.925 -12.470 -4.216 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.304 -12.488 -2.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.567 -14.469 -3.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.339 -13.564 -1.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.942 -13.546 -3.434 1.00 0.00 H new ATOM 251 N VAL A 17 -3.876 -6.258 -1.995 1.00 0.00 N ATOM 252 CA VAL A 17 -4.705 -5.126 -1.606 1.00 0.00 C ATOM 253 C VAL A 17 -6.168 -5.441 -1.862 1.00 0.00 C ATOM 254 O VAL A 17 -6.569 -5.736 -2.990 1.00 0.00 O ATOM 255 CB VAL A 17 -4.331 -3.852 -2.362 1.00 0.00 C ATOM 256 CG1 VAL A 17 -5.168 -2.654 -1.863 1.00 0.00 C ATOM 257 CG2 VAL A 17 -2.828 -3.566 -2.173 1.00 0.00 C ATOM 0 H VAL A 17 -3.814 -6.395 -3.004 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.534 -4.953 -0.543 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.543 -3.996 -3.422 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.885 -1.758 -2.415 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.227 -2.859 -2.021 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.984 -2.499 -0.800 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.560 -2.657 -2.712 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.613 -3.436 -1.112 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.247 -4.403 -2.561 1.00 0.00 H new ATOM 267 N LEU A 18 -7.011 -5.395 -0.814 1.00 0.00 N ATOM 268 CA LEU A 18 -8.432 -5.665 -0.914 1.00 0.00 C ATOM 269 C LEU A 18 -9.239 -4.367 -0.862 1.00 0.00 C ATOM 270 O LEU A 18 -9.506 -3.813 0.205 1.00 0.00 O ATOM 271 CB LEU A 18 -8.929 -6.609 0.217 1.00 0.00 C ATOM 272 CG LEU A 18 -8.397 -8.062 0.162 1.00 0.00 C ATOM 273 CD1 LEU A 18 -6.987 -8.220 0.757 1.00 0.00 C ATOM 274 CD2 LEU A 18 -9.361 -9.003 0.904 1.00 0.00 C ATOM 0 H LEU A 18 -6.707 -5.165 0.132 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.585 -6.159 -1.873 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.648 -6.175 1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.018 -6.639 0.187 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.334 -8.323 -0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.677 -9.262 0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.286 -7.594 0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.997 -7.915 1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.979 -10.023 0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.445 -8.691 1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.343 -8.963 0.433 1.00 0.00 H new ATOM 286 N GLY A 19 -9.674 -3.843 -2.026 1.00 0.00 N ATOM 287 CA GLY A 19 -10.542 -2.668 -2.079 1.00 0.00 C ATOM 288 C GLY A 19 -11.982 -2.951 -1.730 1.00 0.00 C ATOM 289 O GLY A 19 -12.604 -3.878 -2.241 1.00 0.00 O ATOM 0 H GLY A 19 -9.432 -4.223 -2.941 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.155 -1.912 -1.395 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.499 -2.242 -3.082 1.00 0.00 H new ATOM 293 N GLN A 20 -12.580 -2.119 -0.857 1.00 0.00 N ATOM 294 CA GLN A 20 -13.959 -2.244 -0.403 1.00 0.00 C ATOM 295 C GLN A 20 -14.973 -1.846 -1.478 1.00 0.00 C ATOM 296 O GLN A 20 -16.170 -2.108 -1.378 1.00 0.00 O ATOM 297 CB GLN A 20 -14.153 -1.428 0.905 1.00 0.00 C ATOM 298 CG GLN A 20 -15.210 -1.998 1.891 1.00 0.00 C ATOM 299 CD GLN A 20 -16.467 -1.140 2.070 1.00 0.00 C ATOM 300 OE1 GLN A 20 -16.655 -0.489 3.105 1.00 0.00 O ATOM 301 NE2 GLN A 20 -17.365 -1.162 1.066 1.00 0.00 N ATOM 0 H GLN A 20 -12.096 -1.323 -0.442 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.151 -3.297 -0.195 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.195 -1.366 1.421 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.439 -0.410 0.640 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -15.511 -2.986 1.544 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -14.739 -2.132 2.865 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -17.178 -1.710 0.226 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -18.232 -0.631 1.146 1.00 0.00 H new ATOM 310 N ASP A 21 -14.484 -1.239 -2.577 1.00 0.00 N ATOM 311 CA ASP A 21 -15.174 -0.972 -3.821 1.00 0.00 C ATOM 312 C ASP A 21 -15.114 -2.170 -4.788 1.00 0.00 C ATOM 313 O ASP A 21 -15.547 -2.093 -5.942 1.00 0.00 O ATOM 314 CB ASP A 21 -14.520 0.298 -4.440 1.00 0.00 C ATOM 315 CG ASP A 21 -13.043 0.109 -4.742 1.00 0.00 C ATOM 316 OD1 ASP A 21 -12.259 -0.225 -3.819 1.00 0.00 O ATOM 317 OD2 ASP A 21 -12.666 0.283 -5.928 1.00 0.00 O ATOM 0 H ASP A 21 -13.521 -0.903 -2.604 1.00 0.00 H new ATOM 0 HA ASP A 21 -16.235 -0.806 -3.633 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.044 0.560 -5.359 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.642 1.136 -3.754 1.00 0.00 H new ATOM 322 N ASN A 22 -14.550 -3.296 -4.303 1.00 0.00 N ATOM 323 CA ASN A 22 -14.291 -4.562 -4.970 1.00 0.00 C ATOM 324 C ASN A 22 -13.035 -4.546 -5.829 1.00 0.00 C ATOM 325 O ASN A 22 -12.787 -5.459 -6.613 1.00 0.00 O ATOM 326 CB ASN A 22 -15.505 -5.173 -5.720 1.00 0.00 C ATOM 327 CG ASN A 22 -16.658 -5.350 -4.742 1.00 0.00 C ATOM 328 OD1 ASN A 22 -16.507 -5.988 -3.703 1.00 0.00 O ATOM 329 ND2 ASN A 22 -17.850 -4.799 -5.063 1.00 0.00 N ATOM 0 H ASN A 22 -14.237 -3.330 -3.333 1.00 0.00 H new ATOM 0 HA ASN A 22 -14.102 -5.246 -4.143 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -15.805 -4.523 -6.542 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -15.232 -6.133 -6.157 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -18.648 -4.909 -4.437 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -17.952 -4.273 -5.931 1.00 0.00 H new ATOM 336 N ALA A 23 -12.163 -3.532 -5.672 1.00 0.00 N ATOM 337 CA ALA A 23 -10.886 -3.483 -6.356 1.00 0.00 C ATOM 338 C ALA A 23 -9.822 -4.333 -5.662 1.00 0.00 C ATOM 339 O ALA A 23 -8.936 -3.838 -4.967 1.00 0.00 O ATOM 340 CB ALA A 23 -10.412 -2.021 -6.468 1.00 0.00 C ATOM 0 H ALA A 23 -12.337 -2.731 -5.065 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.029 -3.902 -7.352 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.452 -1.988 -6.983 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.145 -1.443 -7.031 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.303 -1.596 -5.470 1.00 0.00 H new ATOM 346 N VAL A 24 -9.881 -5.666 -5.838 1.00 0.00 N ATOM 347 CA VAL A 24 -8.877 -6.575 -5.305 1.00 0.00 C ATOM 348 C VAL A 24 -7.719 -6.708 -6.284 1.00 0.00 C ATOM 349 O VAL A 24 -7.885 -7.152 -7.425 1.00 0.00 O ATOM 350 CB VAL A 24 -9.446 -7.942 -4.944 1.00 0.00 C ATOM 351 CG1 VAL A 24 -8.361 -8.815 -4.280 1.00 0.00 C ATOM 352 CG2 VAL A 24 -10.622 -7.745 -3.970 1.00 0.00 C ATOM 0 H VAL A 24 -10.628 -6.132 -6.354 1.00 0.00 H new ATOM 0 HA VAL A 24 -8.512 -6.141 -4.374 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.788 -8.445 -5.849 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.781 -9.788 -4.027 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.528 -8.948 -4.970 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -8.006 -8.327 -3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -11.040 -8.716 -3.703 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -10.269 -7.242 -3.070 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.392 -7.138 -4.447 1.00 0.00 H new ATOM 362 N VAL A 25 -6.507 -6.293 -5.872 1.00 0.00 N ATOM 363 CA VAL A 25 -5.366 -6.133 -6.759 1.00 0.00 C ATOM 364 C VAL A 25 -4.080 -6.542 -6.045 1.00 0.00 C ATOM 365 O VAL A 25 -4.029 -6.634 -4.820 1.00 0.00 O ATOM 366 CB VAL A 25 -5.330 -4.694 -7.297 1.00 0.00 C ATOM 367 CG1 VAL A 25 -5.087 -3.676 -6.165 1.00 0.00 C ATOM 368 CG2 VAL A 25 -4.316 -4.515 -8.443 1.00 0.00 C ATOM 0 H VAL A 25 -6.302 -6.060 -4.900 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.462 -6.794 -7.620 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.315 -4.495 -7.720 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.067 -2.668 -6.580 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.889 -3.750 -5.430 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.133 -3.889 -5.683 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.332 -3.480 -8.785 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.316 -4.764 -8.087 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.581 -5.174 -9.270 1.00 0.00 H new ATOM 378 N GLN A 26 -2.996 -6.850 -6.787 1.00 0.00 N ATOM 379 CA GLN A 26 -1.752 -7.277 -6.181 1.00 0.00 C ATOM 380 C GLN A 26 -0.542 -6.900 -7.021 1.00 0.00 C ATOM 381 O GLN A 26 -0.576 -6.890 -8.252 1.00 0.00 O ATOM 382 CB GLN A 26 -1.757 -8.800 -5.906 1.00 0.00 C ATOM 383 CG GLN A 26 -2.043 -9.688 -7.138 1.00 0.00 C ATOM 384 CD GLN A 26 -2.028 -11.154 -6.720 1.00 0.00 C ATOM 385 OE1 GLN A 26 -0.964 -11.771 -6.624 1.00 0.00 O ATOM 386 NE2 GLN A 26 -3.222 -11.713 -6.425 1.00 0.00 N ATOM 0 H GLN A 26 -2.974 -6.806 -7.806 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.672 -6.749 -5.231 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.789 -9.082 -5.491 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.505 -9.013 -5.142 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.011 -9.431 -7.568 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.294 -9.511 -7.910 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.078 -11.166 -6.518 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -3.267 -12.682 -6.109 1.00 0.00 H new ATOM 395 N PHE A 27 0.572 -6.569 -6.348 1.00 0.00 N ATOM 396 CA PHE A 27 1.796 -6.117 -6.983 1.00 0.00 C ATOM 397 C PHE A 27 2.993 -6.698 -6.256 1.00 0.00 C ATOM 398 O PHE A 27 2.870 -7.205 -5.141 1.00 0.00 O ATOM 399 CB PHE A 27 1.889 -4.562 -7.062 1.00 0.00 C ATOM 400 CG PHE A 27 1.469 -3.881 -5.780 1.00 0.00 C ATOM 401 CD1 PHE A 27 2.311 -3.849 -4.654 1.00 0.00 C ATOM 402 CD2 PHE A 27 0.210 -3.258 -5.704 1.00 0.00 C ATOM 403 CE1 PHE A 27 1.898 -3.216 -3.473 1.00 0.00 C ATOM 404 CE2 PHE A 27 -0.203 -2.622 -4.527 1.00 0.00 C ATOM 405 CZ PHE A 27 0.640 -2.606 -3.409 1.00 0.00 C ATOM 0 H PHE A 27 0.637 -6.613 -5.331 1.00 0.00 H new ATOM 0 HA PHE A 27 1.789 -6.476 -8.012 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.913 -4.276 -7.300 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.261 -4.207 -7.879 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.284 -4.316 -4.699 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.445 -3.270 -6.563 1.00 0.00 H new ATOM 0 HE1 PHE A 27 2.551 -3.199 -2.613 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.171 -2.144 -4.481 1.00 0.00 H new ATOM 0 HZ PHE A 27 0.320 -2.123 -2.498 1.00 0.00 H new ATOM 415 N LYS A 28 4.185 -6.636 -6.882 1.00 0.00 N ATOM 416 CA LYS A 28 5.407 -7.168 -6.315 1.00 0.00 C ATOM 417 C LYS A 28 6.508 -6.121 -6.267 1.00 0.00 C ATOM 418 O LYS A 28 6.601 -5.239 -7.121 1.00 0.00 O ATOM 419 CB LYS A 28 5.876 -8.434 -7.076 1.00 0.00 C ATOM 420 CG LYS A 28 6.249 -8.213 -8.551 1.00 0.00 C ATOM 421 CD LYS A 28 6.603 -9.535 -9.252 1.00 0.00 C ATOM 422 CE LYS A 28 7.326 -9.324 -10.587 1.00 0.00 C ATOM 423 NZ LYS A 28 7.830 -10.595 -11.139 1.00 0.00 N ATOM 0 H LYS A 28 4.311 -6.210 -7.800 1.00 0.00 H new ATOM 0 HA LYS A 28 5.186 -7.457 -5.288 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.740 -8.850 -6.558 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.084 -9.182 -7.027 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.416 -7.738 -9.070 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.096 -7.530 -8.614 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.233 -10.133 -8.593 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.690 -10.105 -9.424 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.645 -8.861 -11.301 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.157 -8.633 -10.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.706 -10.419 -11.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.024 -11.258 -10.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.116 -11.005 -11.774 1.00 0.00 H new ATOM 437 N ILE A 29 7.364 -6.183 -5.230 1.00 0.00 N ATOM 438 CA ILE A 29 8.364 -5.161 -4.962 1.00 0.00 C ATOM 439 C ILE A 29 9.695 -5.789 -4.552 1.00 0.00 C ATOM 440 O ILE A 29 9.749 -6.930 -4.092 1.00 0.00 O ATOM 441 CB ILE A 29 7.828 -4.181 -3.911 1.00 0.00 C ATOM 442 CG1 ILE A 29 8.620 -2.852 -3.857 1.00 0.00 C ATOM 443 CG2 ILE A 29 7.723 -4.863 -2.527 1.00 0.00 C ATOM 444 CD1 ILE A 29 7.928 -1.771 -3.018 1.00 0.00 C ATOM 0 H ILE A 29 7.372 -6.951 -4.558 1.00 0.00 H new ATOM 0 HA ILE A 29 8.560 -4.598 -5.875 1.00 0.00 H new ATOM 0 HB ILE A 29 6.822 -3.900 -4.221 1.00 0.00 H new ATOM 0 HG12 ILE A 29 9.611 -3.043 -3.446 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.763 -2.480 -4.872 1.00 0.00 H new ATOM 0 HG21 ILE A 29 7.341 -4.149 -1.798 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.045 -5.714 -2.591 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.709 -5.207 -2.215 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.534 -0.865 -3.020 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.948 -1.553 -3.442 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.810 -2.125 -1.994 1.00 0.00 H new ATOM 456 N LYS A 30 10.823 -5.062 -4.726 1.00 0.00 N ATOM 457 CA LYS A 30 12.130 -5.432 -4.202 1.00 0.00 C ATOM 458 C LYS A 30 12.222 -5.131 -2.711 1.00 0.00 C ATOM 459 O LYS A 30 11.649 -4.166 -2.214 1.00 0.00 O ATOM 460 CB LYS A 30 13.279 -4.685 -4.945 1.00 0.00 C ATOM 461 CG LYS A 30 14.043 -5.551 -5.965 1.00 0.00 C ATOM 462 CD LYS A 30 15.120 -6.456 -5.329 1.00 0.00 C ATOM 463 CE LYS A 30 15.770 -7.420 -6.340 1.00 0.00 C ATOM 464 NZ LYS A 30 17.240 -7.321 -6.398 1.00 0.00 N ATOM 0 H LYS A 30 10.835 -4.186 -5.248 1.00 0.00 H new ATOM 0 HA LYS A 30 12.245 -6.503 -4.365 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.861 -3.821 -5.461 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.986 -4.305 -4.207 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.330 -6.174 -6.505 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.516 -4.899 -6.699 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.893 -5.832 -4.882 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.670 -7.034 -4.522 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.494 -8.442 -6.082 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.363 -7.221 -7.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 17.606 -7.997 -7.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 17.512 -6.356 -6.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 17.640 -7.540 -5.463 1.00 0.00 H new ATOM 478 N LYS A 31 12.973 -5.968 -1.971 1.00 0.00 N ATOM 479 CA LYS A 31 13.074 -5.993 -0.518 1.00 0.00 C ATOM 480 C LYS A 31 13.384 -4.642 0.155 1.00 0.00 C ATOM 481 O LYS A 31 12.756 -4.261 1.139 1.00 0.00 O ATOM 482 CB LYS A 31 14.138 -7.053 -0.101 1.00 0.00 C ATOM 483 CG LYS A 31 14.084 -8.422 -0.824 1.00 0.00 C ATOM 484 CD LYS A 31 12.853 -9.301 -0.518 1.00 0.00 C ATOM 485 CE LYS A 31 12.927 -10.088 0.803 1.00 0.00 C ATOM 486 NZ LYS A 31 13.887 -11.207 0.723 1.00 0.00 N ATOM 0 H LYS A 31 13.556 -6.683 -2.407 1.00 0.00 H new ATOM 0 HA LYS A 31 12.078 -6.254 -0.160 1.00 0.00 H new ATOM 0 HB2 LYS A 31 15.127 -6.623 -0.262 1.00 0.00 H new ATOM 0 HB3 LYS A 31 14.038 -7.231 0.970 1.00 0.00 H new ATOM 0 HG2 LYS A 31 14.121 -8.244 -1.899 1.00 0.00 H new ATOM 0 HG3 LYS A 31 14.981 -8.984 -0.563 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.968 -8.665 -0.495 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.717 -10.007 -1.337 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.219 -9.416 1.610 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.939 -10.474 1.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.534 -12.008 1.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.996 -11.501 -0.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.808 -10.901 1.097 1.00 0.00 H new ATOM 500 N HIS A 32 14.357 -3.887 -0.391 1.00 0.00 N ATOM 501 CA HIS A 32 14.842 -2.611 0.129 1.00 0.00 C ATOM 502 C HIS A 32 14.075 -1.387 -0.349 1.00 0.00 C ATOM 503 O HIS A 32 14.377 -0.265 0.051 1.00 0.00 O ATOM 504 CB HIS A 32 16.345 -2.405 -0.230 1.00 0.00 C ATOM 505 CG HIS A 32 16.839 -3.279 -1.352 1.00 0.00 C ATOM 506 ND1 HIS A 32 17.282 -4.564 -1.128 1.00 0.00 N ATOM 507 CD2 HIS A 32 16.938 -3.075 -2.691 1.00 0.00 C ATOM 508 CE1 HIS A 32 17.635 -5.081 -2.323 1.00 0.00 C ATOM 509 NE2 HIS A 32 17.445 -4.212 -3.306 1.00 0.00 N ATOM 0 H HIS A 32 14.842 -4.169 -1.243 1.00 0.00 H new ATOM 0 HA HIS A 32 14.689 -2.686 1.206 1.00 0.00 H new ATOM 0 HB2 HIS A 32 16.502 -1.361 -0.502 1.00 0.00 H new ATOM 0 HB3 HIS A 32 16.948 -2.597 0.657 1.00 0.00 H new ATOM 0 HD2 HIS A 32 16.663 -2.164 -3.202 1.00 0.00 H new ATOM 0 HE1 HIS A 32 18.024 -6.079 -2.462 1.00 0.00 H new ATOM 0 HE2 HIS A 32 17.631 -4.349 -4.299 1.00 0.00 H new ATOM 517 N THR A 33 13.061 -1.530 -1.220 1.00 0.00 N ATOM 518 CA THR A 33 12.333 -0.366 -1.724 1.00 0.00 C ATOM 519 C THR A 33 11.184 -0.022 -0.781 1.00 0.00 C ATOM 520 O THR A 33 10.314 -0.871 -0.577 1.00 0.00 O ATOM 521 CB THR A 33 11.798 -0.543 -3.142 1.00 0.00 C ATOM 522 OG1 THR A 33 12.881 -0.738 -4.049 1.00 0.00 O ATOM 523 CG2 THR A 33 11.065 0.718 -3.629 1.00 0.00 C ATOM 0 H THR A 33 12.735 -2.427 -1.581 1.00 0.00 H new ATOM 0 HA THR A 33 13.054 0.451 -1.764 1.00 0.00 H new ATOM 0 HB THR A 33 11.121 -1.397 -3.117 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.531 -0.853 -4.957 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.697 0.557 -4.642 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.225 0.929 -2.967 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.753 1.564 -3.623 1.00 0.00 H new ATOM 531 N PRO A 34 11.099 1.155 -0.147 1.00 0.00 N ATOM 532 CA PRO A 34 10.089 1.411 0.876 1.00 0.00 C ATOM 533 C PRO A 34 8.705 1.645 0.293 1.00 0.00 C ATOM 534 O PRO A 34 8.565 2.032 -0.870 1.00 0.00 O ATOM 535 CB PRO A 34 10.616 2.672 1.587 1.00 0.00 C ATOM 536 CG PRO A 34 11.428 3.400 0.516 1.00 0.00 C ATOM 537 CD PRO A 34 12.078 2.241 -0.237 1.00 0.00 C ATOM 0 HA PRO A 34 9.957 0.558 1.542 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.798 3.292 1.956 1.00 0.00 H new ATOM 0 HB3 PRO A 34 11.234 2.414 2.447 1.00 0.00 H new ATOM 0 HG2 PRO A 34 10.796 4.005 -0.134 1.00 0.00 H new ATOM 0 HG3 PRO A 34 12.169 4.070 0.952 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.283 2.506 -1.274 1.00 0.00 H new ATOM 0 HD3 PRO A 34 13.029 1.957 0.214 1.00 0.00 H new ATOM 545 N LEU A 35 7.654 1.432 1.110 1.00 0.00 N ATOM 546 CA LEU A 35 6.265 1.397 0.677 1.00 0.00 C ATOM 547 C LEU A 35 5.786 2.732 0.123 1.00 0.00 C ATOM 548 O LEU A 35 5.107 2.785 -0.899 1.00 0.00 O ATOM 549 CB LEU A 35 5.310 0.946 1.818 1.00 0.00 C ATOM 550 CG LEU A 35 5.441 -0.519 2.312 1.00 0.00 C ATOM 551 CD1 LEU A 35 5.347 -1.545 1.171 1.00 0.00 C ATOM 552 CD2 LEU A 35 6.683 -0.780 3.182 1.00 0.00 C ATOM 0 H LEU A 35 7.763 1.277 2.112 1.00 0.00 H new ATOM 0 HA LEU A 35 6.234 0.662 -0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.467 1.606 2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.285 1.099 1.481 1.00 0.00 H new ATOM 0 HG LEU A 35 4.576 -0.659 2.960 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.445 -2.551 1.578 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.382 -1.448 0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.146 -1.364 0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.701 -1.827 3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.582 -0.553 2.610 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.647 -0.145 4.067 1.00 0.00 H new ATOM 564 N ARG A 36 6.175 3.847 0.768 1.00 0.00 N ATOM 565 CA ARG A 36 5.943 5.237 0.391 1.00 0.00 C ATOM 566 C ARG A 36 6.130 5.567 -1.080 1.00 0.00 C ATOM 567 O ARG A 36 5.337 6.276 -1.696 1.00 0.00 O ATOM 568 CB ARG A 36 6.876 6.129 1.248 1.00 0.00 C ATOM 569 CG ARG A 36 6.693 7.650 1.071 1.00 0.00 C ATOM 570 CD ARG A 36 6.866 8.389 2.401 1.00 0.00 C ATOM 571 NE ARG A 36 6.610 9.843 2.184 1.00 0.00 N ATOM 572 CZ ARG A 36 6.435 10.684 3.208 1.00 0.00 C ATOM 573 NH1 ARG A 36 6.604 10.328 4.476 1.00 0.00 N ATOM 574 NH2 ARG A 36 6.013 11.918 2.978 1.00 0.00 N ATOM 0 H ARG A 36 6.703 3.784 1.638 1.00 0.00 H new ATOM 0 HA ARG A 36 4.886 5.428 0.578 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.720 5.882 2.298 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.909 5.876 1.011 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.418 8.024 0.348 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.702 7.855 0.665 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.176 7.992 3.145 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.874 8.237 2.788 1.00 0.00 H new ATOM 0 HE ARG A 36 6.568 10.204 1.231 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.880 9.373 4.705 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.458 11.009 5.221 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.823 12.222 2.023 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.878 12.564 3.756 1.00 0.00 H new ATOM 588 N LYS A 37 7.176 5.011 -1.720 1.00 0.00 N ATOM 589 CA LYS A 37 7.444 5.266 -3.122 1.00 0.00 C ATOM 590 C LYS A 37 6.421 4.612 -4.052 1.00 0.00 C ATOM 591 O LYS A 37 6.179 5.083 -5.160 1.00 0.00 O ATOM 592 CB LYS A 37 8.891 4.833 -3.466 1.00 0.00 C ATOM 593 CG LYS A 37 9.499 5.490 -4.724 1.00 0.00 C ATOM 594 CD LYS A 37 10.220 6.832 -4.464 1.00 0.00 C ATOM 595 CE LYS A 37 9.323 8.070 -4.293 1.00 0.00 C ATOM 596 NZ LYS A 37 10.158 9.231 -3.950 1.00 0.00 N ATOM 0 H LYS A 37 7.844 4.382 -1.274 1.00 0.00 H new ATOM 0 HA LYS A 37 7.346 6.339 -3.288 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.532 5.059 -2.614 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.906 3.751 -3.599 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.206 4.794 -5.176 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.705 5.654 -5.452 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.828 6.724 -3.566 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.904 7.018 -5.292 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.771 8.263 -5.213 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.586 7.894 -3.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.555 10.070 -3.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.665 9.043 -3.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.845 9.402 -4.712 1.00 0.00 H new ATOM 610 N LEU A 38 5.759 3.534 -3.592 1.00 0.00 N ATOM 611 CA LEU A 38 4.648 2.902 -4.280 1.00 0.00 C ATOM 612 C LEU A 38 3.329 3.587 -3.916 1.00 0.00 C ATOM 613 O LEU A 38 2.529 3.918 -4.787 1.00 0.00 O ATOM 614 CB LEU A 38 4.639 1.384 -3.961 1.00 0.00 C ATOM 615 CG LEU A 38 3.883 0.497 -4.976 1.00 0.00 C ATOM 616 CD1 LEU A 38 4.453 -0.931 -4.958 1.00 0.00 C ATOM 617 CD2 LEU A 38 2.369 0.439 -4.733 1.00 0.00 C ATOM 0 H LEU A 38 5.997 3.078 -2.711 1.00 0.00 H new ATOM 0 HA LEU A 38 4.768 3.014 -5.358 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.670 1.037 -3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.194 1.240 -2.976 1.00 0.00 H new ATOM 0 HG LEU A 38 4.033 0.960 -5.951 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.913 -1.547 -5.677 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.510 -0.904 -5.224 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.341 -1.355 -3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.904 -0.201 -5.483 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.175 0.034 -3.740 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.950 1.443 -4.804 1.00 0.00 H new ATOM 629 N MET A 39 3.085 3.869 -2.618 1.00 0.00 N ATOM 630 CA MET A 39 1.891 4.552 -2.127 1.00 0.00 C ATOM 631 C MET A 39 1.668 5.931 -2.747 1.00 0.00 C ATOM 632 O MET A 39 0.587 6.250 -3.235 1.00 0.00 O ATOM 633 CB MET A 39 1.916 4.714 -0.584 1.00 0.00 C ATOM 634 CG MET A 39 1.886 3.393 0.209 1.00 0.00 C ATOM 635 SD MET A 39 0.396 2.384 -0.063 1.00 0.00 S ATOM 636 CE MET A 39 1.221 1.068 -1.005 1.00 0.00 C ATOM 0 H MET A 39 3.735 3.618 -1.873 1.00 0.00 H new ATOM 0 HA MET A 39 1.067 3.906 -2.430 1.00 0.00 H new ATOM 0 HB2 MET A 39 2.813 5.267 -0.306 1.00 0.00 H new ATOM 0 HB3 MET A 39 1.062 5.321 -0.283 1.00 0.00 H new ATOM 0 HG2 MET A 39 2.763 2.803 -0.059 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.967 3.620 1.272 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.490 0.312 -1.291 1.00 0.00 H new ATOM 0 HE2 MET A 39 1.674 1.491 -1.901 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.995 0.610 -0.389 1.00 0.00 H new ATOM 646 N ASN A 40 2.712 6.783 -2.779 1.00 0.00 N ATOM 647 CA ASN A 40 2.632 8.113 -3.368 1.00 0.00 C ATOM 648 C ASN A 40 2.465 8.040 -4.891 1.00 0.00 C ATOM 649 O ASN A 40 1.781 8.851 -5.513 1.00 0.00 O ATOM 650 CB ASN A 40 3.888 8.975 -3.027 1.00 0.00 C ATOM 651 CG ASN A 40 4.171 9.195 -1.530 1.00 0.00 C ATOM 652 OD1 ASN A 40 5.217 9.771 -1.204 1.00 0.00 O ATOM 653 ND2 ASN A 40 3.281 8.748 -0.621 1.00 0.00 N ATOM 0 H ASN A 40 3.630 6.558 -2.394 1.00 0.00 H new ATOM 0 HA ASN A 40 1.753 8.591 -2.935 1.00 0.00 H new ATOM 0 HB2 ASN A 40 4.761 8.502 -3.475 1.00 0.00 H new ATOM 0 HB3 ASN A 40 3.775 9.950 -3.502 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.459 8.880 0.375 1.00 0.00 H new ATOM 0 HD22 ASN A 40 2.430 8.278 -0.929 1.00 0.00 H new ATOM 660 N ALA A 41 3.061 7.011 -5.532 1.00 0.00 N ATOM 661 CA ALA A 41 2.914 6.756 -6.950 1.00 0.00 C ATOM 662 C ALA A 41 1.507 6.304 -7.345 1.00 0.00 C ATOM 663 O ALA A 41 1.038 6.629 -8.432 1.00 0.00 O ATOM 664 CB ALA A 41 3.946 5.710 -7.410 1.00 0.00 C ATOM 0 H ALA A 41 3.661 6.336 -5.058 1.00 0.00 H new ATOM 0 HA ALA A 41 3.090 7.707 -7.453 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.826 5.526 -8.478 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.952 6.082 -7.216 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.791 4.781 -6.862 1.00 0.00 H new ATOM 670 N TYR A 42 0.782 5.577 -6.466 1.00 0.00 N ATOM 671 CA TYR A 42 -0.621 5.217 -6.652 1.00 0.00 C ATOM 672 C TYR A 42 -1.505 6.444 -6.869 1.00 0.00 C ATOM 673 O TYR A 42 -2.204 6.536 -7.877 1.00 0.00 O ATOM 674 CB TYR A 42 -1.138 4.350 -5.462 1.00 0.00 C ATOM 675 CG TYR A 42 -2.566 3.880 -5.640 1.00 0.00 C ATOM 676 CD1 TYR A 42 -2.938 3.121 -6.762 1.00 0.00 C ATOM 677 CD2 TYR A 42 -3.556 4.214 -4.693 1.00 0.00 C ATOM 678 CE1 TYR A 42 -4.269 2.721 -6.946 1.00 0.00 C ATOM 679 CE2 TYR A 42 -4.887 3.802 -4.871 1.00 0.00 C ATOM 680 CZ TYR A 42 -5.244 3.063 -6.004 1.00 0.00 C ATOM 681 OH TYR A 42 -6.577 2.662 -6.223 1.00 0.00 O ATOM 0 H TYR A 42 1.174 5.222 -5.594 1.00 0.00 H new ATOM 0 HA TYR A 42 -0.683 4.617 -7.560 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.489 3.482 -5.345 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.065 4.929 -4.541 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -2.191 2.843 -7.490 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -3.288 4.793 -3.821 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.542 2.146 -7.819 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -5.634 4.056 -4.134 1.00 0.00 H new ATOM 0 HH TYR A 42 -7.063 2.662 -5.372 1.00 0.00 H new ATOM 691 N CYS A 43 -1.440 7.444 -5.964 1.00 0.00 N ATOM 692 CA CYS A 43 -2.151 8.711 -6.086 1.00 0.00 C ATOM 693 C CYS A 43 -1.897 9.432 -7.406 1.00 0.00 C ATOM 694 O CYS A 43 -2.820 9.899 -8.073 1.00 0.00 O ATOM 695 CB CYS A 43 -1.784 9.677 -4.929 1.00 0.00 C ATOM 696 SG CYS A 43 -2.210 9.008 -3.287 1.00 0.00 S ATOM 0 H CYS A 43 -0.878 7.381 -5.115 1.00 0.00 H new ATOM 0 HA CYS A 43 -3.207 8.443 -6.044 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -0.715 9.889 -4.964 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.302 10.625 -5.075 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.874 9.865 -2.369 1.00 0.00 H new ATOM 702 N ASP A 44 -0.617 9.492 -7.812 1.00 0.00 N ATOM 703 CA ASP A 44 -0.135 10.132 -9.019 1.00 0.00 C ATOM 704 C ASP A 44 -0.552 9.415 -10.317 1.00 0.00 C ATOM 705 O ASP A 44 -1.075 10.011 -11.258 1.00 0.00 O ATOM 706 CB ASP A 44 1.414 10.191 -8.877 1.00 0.00 C ATOM 707 CG ASP A 44 1.945 11.562 -9.175 1.00 0.00 C ATOM 708 OD1 ASP A 44 1.562 12.536 -8.484 1.00 0.00 O ATOM 709 OD2 ASP A 44 2.816 11.708 -10.070 1.00 0.00 O ATOM 0 H ASP A 44 0.137 9.070 -7.270 1.00 0.00 H new ATOM 0 HA ASP A 44 -0.581 11.122 -9.112 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.698 9.902 -7.865 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.870 9.469 -9.554 1.00 0.00 H new ATOM 714 N ARG A 45 -0.323 8.092 -10.403 1.00 0.00 N ATOM 715 CA ARG A 45 -0.609 7.283 -11.579 1.00 0.00 C ATOM 716 C ARG A 45 -2.100 6.995 -11.763 1.00 0.00 C ATOM 717 O ARG A 45 -2.621 7.073 -12.877 1.00 0.00 O ATOM 718 CB ARG A 45 0.189 5.949 -11.531 1.00 0.00 C ATOM 719 CG ARG A 45 1.723 6.122 -11.663 1.00 0.00 C ATOM 720 CD ARG A 45 2.203 6.390 -13.095 1.00 0.00 C ATOM 721 NE ARG A 45 3.678 6.666 -13.046 1.00 0.00 N ATOM 722 CZ ARG A 45 4.504 6.417 -14.072 1.00 0.00 C ATOM 723 NH1 ARG A 45 4.254 5.488 -14.975 1.00 0.00 N ATOM 724 NH2 ARG A 45 5.620 7.133 -14.169 1.00 0.00 N ATOM 0 H ARG A 45 0.075 7.553 -9.634 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.291 7.871 -12.440 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.029 5.442 -10.591 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.162 5.299 -12.332 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.041 6.946 -11.025 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.213 5.223 -11.290 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.997 5.531 -13.733 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.670 7.239 -13.523 1.00 0.00 H new ATOM 0 HE ARG A 45 4.070 7.062 -12.192 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.405 4.927 -14.908 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.910 5.331 -15.740 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.828 7.849 -13.473 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.268 6.966 -14.939 1.00 0.00 H new ATOM 738 N ALA A 46 -2.841 6.670 -10.685 1.00 0.00 N ATOM 739 CA ALA A 46 -4.277 6.447 -10.752 1.00 0.00 C ATOM 740 C ALA A 46 -5.049 7.752 -10.897 1.00 0.00 C ATOM 741 O ALA A 46 -6.098 7.807 -11.539 1.00 0.00 O ATOM 742 CB ALA A 46 -4.766 5.682 -9.507 1.00 0.00 C ATOM 0 H ALA A 46 -2.450 6.558 -9.750 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.468 5.845 -11.641 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.842 5.525 -9.576 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.261 4.717 -9.451 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.540 6.262 -8.612 1.00 0.00 H new ATOM 748 N GLY A 47 -4.521 8.852 -10.325 1.00 0.00 N ATOM 749 CA GLY A 47 -5.093 10.188 -10.450 1.00 0.00 C ATOM 750 C GLY A 47 -6.151 10.436 -9.422 1.00 0.00 C ATOM 751 O GLY A 47 -7.305 10.705 -9.747 1.00 0.00 O ATOM 0 H GLY A 47 -3.674 8.827 -9.758 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.304 10.933 -10.347 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.518 10.310 -11.446 1.00 0.00 H new ATOM 755 N LEU A 48 -5.778 10.356 -8.138 1.00 0.00 N ATOM 756 CA LEU A 48 -6.715 10.515 -7.046 1.00 0.00 C ATOM 757 C LEU A 48 -6.082 11.250 -5.880 1.00 0.00 C ATOM 758 O LEU A 48 -4.866 11.403 -5.787 1.00 0.00 O ATOM 759 CB LEU A 48 -7.335 9.151 -6.621 1.00 0.00 C ATOM 760 CG LEU A 48 -6.357 7.990 -6.313 1.00 0.00 C ATOM 761 CD1 LEU A 48 -5.669 8.119 -4.947 1.00 0.00 C ATOM 762 CD2 LEU A 48 -7.103 6.647 -6.374 1.00 0.00 C ATOM 0 H LEU A 48 -4.819 10.179 -7.840 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.539 11.134 -7.401 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.947 9.320 -5.735 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.007 8.824 -7.415 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.577 8.037 -7.073 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.998 7.273 -4.796 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.097 9.046 -4.914 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.423 8.129 -4.160 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.409 5.835 -6.156 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.907 6.644 -5.638 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.522 6.509 -7.371 1.00 0.00 H new ATOM 774 N SER A 49 -6.912 11.759 -4.952 1.00 0.00 N ATOM 775 CA SER A 49 -6.459 12.343 -3.695 1.00 0.00 C ATOM 776 C SER A 49 -6.358 11.239 -2.657 1.00 0.00 C ATOM 777 O SER A 49 -7.165 10.310 -2.639 1.00 0.00 O ATOM 778 CB SER A 49 -7.443 13.441 -3.187 1.00 0.00 C ATOM 779 OG SER A 49 -7.073 14.004 -1.924 1.00 0.00 O ATOM 0 H SER A 49 -7.926 11.772 -5.063 1.00 0.00 H new ATOM 0 HA SER A 49 -5.489 12.812 -3.858 1.00 0.00 H new ATOM 0 HB2 SER A 49 -7.498 14.238 -3.928 1.00 0.00 H new ATOM 0 HB3 SER A 49 -8.442 13.012 -3.105 1.00 0.00 H new ATOM 0 HG SER A 49 -6.626 14.864 -2.068 1.00 0.00 H new ATOM 785 N MET A 50 -5.388 11.316 -1.726 1.00 0.00 N ATOM 786 CA MET A 50 -5.191 10.295 -0.707 1.00 0.00 C ATOM 787 C MET A 50 -6.342 10.271 0.294 1.00 0.00 C ATOM 788 O MET A 50 -6.648 9.256 0.911 1.00 0.00 O ATOM 789 CB MET A 50 -3.835 10.502 0.026 1.00 0.00 C ATOM 790 CG MET A 50 -3.438 9.339 0.964 1.00 0.00 C ATOM 791 SD MET A 50 -1.848 9.539 1.824 1.00 0.00 S ATOM 792 CE MET A 50 -0.767 8.964 0.482 1.00 0.00 C ATOM 0 H MET A 50 -4.726 12.090 -1.668 1.00 0.00 H new ATOM 0 HA MET A 50 -5.170 9.329 -1.211 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.050 10.638 -0.718 1.00 0.00 H new ATOM 0 HB3 MET A 50 -3.886 11.422 0.608 1.00 0.00 H new ATOM 0 HG2 MET A 50 -4.222 9.213 1.710 1.00 0.00 H new ATOM 0 HG3 MET A 50 -3.403 8.419 0.380 1.00 0.00 H new ATOM 0 HE1 MET A 50 0.272 9.008 0.808 1.00 0.00 H new ATOM 0 HE2 MET A 50 -1.023 7.937 0.223 1.00 0.00 H new ATOM 0 HE3 MET A 50 -0.900 9.602 -0.391 1.00 0.00 H new ATOM 802 N GLN A 51 -7.060 11.400 0.435 1.00 0.00 N ATOM 803 CA GLN A 51 -8.201 11.573 1.315 1.00 0.00 C ATOM 804 C GLN A 51 -9.388 10.647 1.062 1.00 0.00 C ATOM 805 O GLN A 51 -10.166 10.362 1.969 1.00 0.00 O ATOM 806 CB GLN A 51 -8.732 13.016 1.174 1.00 0.00 C ATOM 807 CG GLN A 51 -7.699 14.111 1.511 1.00 0.00 C ATOM 808 CD GLN A 51 -8.328 15.469 1.244 1.00 0.00 C ATOM 809 OE1 GLN A 51 -8.765 16.174 2.158 1.00 0.00 O ATOM 810 NE2 GLN A 51 -8.467 15.825 -0.051 1.00 0.00 N ATOM 0 H GLN A 51 -6.841 12.246 -0.090 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.816 11.333 2.306 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -9.080 13.164 0.152 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -9.597 13.137 1.826 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -7.393 14.034 2.554 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -6.802 13.984 0.905 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -8.097 15.224 -0.788 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -8.942 16.695 -0.293 1.00 0.00 H new ATOM 819 N VAL A 52 -9.585 10.170 -0.182 1.00 0.00 N ATOM 820 CA VAL A 52 -10.692 9.279 -0.515 1.00 0.00 C ATOM 821 C VAL A 52 -10.274 7.816 -0.504 1.00 0.00 C ATOM 822 O VAL A 52 -11.090 6.929 -0.743 1.00 0.00 O ATOM 823 CB VAL A 52 -11.368 9.631 -1.843 1.00 0.00 C ATOM 824 CG1 VAL A 52 -12.024 11.021 -1.709 1.00 0.00 C ATOM 825 CG2 VAL A 52 -10.379 9.597 -3.023 1.00 0.00 C ATOM 0 H VAL A 52 -8.981 10.395 -0.973 1.00 0.00 H new ATOM 0 HA VAL A 52 -11.430 9.430 0.273 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.129 8.881 -2.060 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.510 11.286 -2.648 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.765 10.998 -0.910 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -11.260 11.763 -1.474 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -10.903 9.853 -3.944 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -9.579 10.317 -2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -9.954 8.597 -3.113 1.00 0.00 H new ATOM 835 N VAL A 53 -8.991 7.539 -0.204 1.00 0.00 N ATOM 836 CA VAL A 53 -8.426 6.201 -0.112 1.00 0.00 C ATOM 837 C VAL A 53 -8.024 5.957 1.339 1.00 0.00 C ATOM 838 O VAL A 53 -7.098 6.573 1.861 1.00 0.00 O ATOM 839 CB VAL A 53 -7.218 6.064 -1.038 1.00 0.00 C ATOM 840 CG1 VAL A 53 -6.608 4.653 -0.962 1.00 0.00 C ATOM 841 CG2 VAL A 53 -7.665 6.343 -2.485 1.00 0.00 C ATOM 0 H VAL A 53 -8.306 8.271 -0.015 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.162 5.460 -0.424 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.459 6.780 -0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.751 4.590 -1.633 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -6.285 4.451 0.059 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.355 3.917 -1.258 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.810 6.248 -3.155 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.433 5.626 -2.773 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.068 7.353 -2.553 1.00 0.00 H new ATOM 851 N ARG A 54 -8.754 5.106 2.081 1.00 0.00 N ATOM 852 CA ARG A 54 -8.566 4.956 3.522 1.00 0.00 C ATOM 853 C ARG A 54 -8.267 3.508 3.886 1.00 0.00 C ATOM 854 O ARG A 54 -9.139 2.647 3.800 1.00 0.00 O ATOM 855 CB ARG A 54 -9.835 5.428 4.282 1.00 0.00 C ATOM 856 CG ARG A 54 -10.387 6.821 3.889 1.00 0.00 C ATOM 857 CD ARG A 54 -9.666 8.034 4.490 1.00 0.00 C ATOM 858 NE ARG A 54 -8.338 8.201 3.829 1.00 0.00 N ATOM 859 CZ ARG A 54 -7.399 9.028 4.288 1.00 0.00 C ATOM 860 NH1 ARG A 54 -7.587 9.844 5.314 1.00 0.00 N ATOM 861 NH2 ARG A 54 -6.218 9.062 3.688 1.00 0.00 N ATOM 0 H ARG A 54 -9.485 4.509 1.695 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.716 5.573 3.814 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.622 4.691 4.126 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.613 5.436 5.349 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.354 6.908 2.803 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.436 6.868 4.181 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -10.268 8.933 4.354 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.535 7.898 5.564 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.140 7.658 2.989 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.486 9.860 5.795 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.832 10.456 5.623 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.036 8.460 2.885 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.491 9.690 4.029 1.00 0.00 H new ATOM 875 N PHE A 55 -7.010 3.184 4.256 1.00 0.00 N ATOM 876 CA PHE A 55 -6.545 1.809 4.402 1.00 0.00 C ATOM 877 C PHE A 55 -6.291 1.364 5.841 1.00 0.00 C ATOM 878 O PHE A 55 -5.898 2.155 6.704 1.00 0.00 O ATOM 879 CB PHE A 55 -5.287 1.550 3.522 1.00 0.00 C ATOM 880 CG PHE A 55 -4.221 2.599 3.709 1.00 0.00 C ATOM 881 CD1 PHE A 55 -3.291 2.497 4.757 1.00 0.00 C ATOM 882 CD2 PHE A 55 -4.139 3.698 2.834 1.00 0.00 C ATOM 883 CE1 PHE A 55 -2.301 3.472 4.933 1.00 0.00 C ATOM 884 CE2 PHE A 55 -3.152 4.676 3.006 1.00 0.00 C ATOM 885 CZ PHE A 55 -2.231 4.561 4.055 1.00 0.00 C ATOM 0 H PHE A 55 -6.294 3.881 4.460 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.375 1.195 4.052 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.874 0.571 3.765 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.582 1.520 2.473 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.340 1.657 5.435 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.845 3.788 2.021 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.593 3.384 5.744 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.101 5.518 2.331 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.467 5.312 4.187 1.00 0.00 H new ATOM 895 N ARG A 56 -6.517 0.062 6.126 1.00 0.00 N ATOM 896 CA ARG A 56 -6.239 -0.569 7.407 1.00 0.00 C ATOM 897 C ARG A 56 -5.489 -1.881 7.184 1.00 0.00 C ATOM 898 O ARG A 56 -5.740 -2.621 6.237 1.00 0.00 O ATOM 899 CB ARG A 56 -7.507 -0.942 8.230 1.00 0.00 C ATOM 900 CG ARG A 56 -8.246 0.191 8.980 1.00 0.00 C ATOM 901 CD ARG A 56 -8.907 1.307 8.157 1.00 0.00 C ATOM 902 NE ARG A 56 -9.734 0.680 7.080 1.00 0.00 N ATOM 903 CZ ARG A 56 -10.715 1.292 6.420 1.00 0.00 C ATOM 904 NH1 ARG A 56 -10.974 2.579 6.600 1.00 0.00 N ATOM 905 NH2 ARG A 56 -11.500 0.581 5.621 1.00 0.00 N ATOM 0 H ARG A 56 -6.909 -0.585 5.442 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.665 0.173 7.963 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.219 -1.413 7.552 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.219 -1.695 8.963 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.019 -0.269 9.596 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.533 0.658 9.659 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.530 1.931 8.798 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.148 1.956 7.721 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.531 -0.289 6.833 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.416 3.125 7.257 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.731 3.024 6.082 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.348 -0.422 5.518 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.255 1.038 5.110 1.00 0.00 H new ATOM 919 N PHE A 57 -4.560 -2.200 8.100 1.00 0.00 N ATOM 920 CA PHE A 57 -3.782 -3.417 8.145 1.00 0.00 C ATOM 921 C PHE A 57 -3.997 -4.066 9.508 1.00 0.00 C ATOM 922 O PHE A 57 -3.655 -3.501 10.549 1.00 0.00 O ATOM 923 CB PHE A 57 -2.284 -3.074 7.951 1.00 0.00 C ATOM 924 CG PHE A 57 -1.415 -4.296 8.014 1.00 0.00 C ATOM 925 CD1 PHE A 57 -1.460 -5.240 6.979 1.00 0.00 C ATOM 926 CD2 PHE A 57 -0.572 -4.522 9.119 1.00 0.00 C ATOM 927 CE1 PHE A 57 -0.663 -6.387 7.039 1.00 0.00 C ATOM 928 CE2 PHE A 57 0.234 -5.667 9.175 1.00 0.00 C ATOM 929 CZ PHE A 57 0.190 -6.596 8.129 1.00 0.00 C ATOM 0 H PHE A 57 -4.330 -1.568 8.867 1.00 0.00 H new ATOM 0 HA PHE A 57 -4.090 -4.101 7.354 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.147 -2.581 6.989 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.971 -2.367 8.719 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.112 -5.081 6.133 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.546 -3.808 9.929 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.706 -7.114 6.242 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.885 -5.832 10.021 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.815 -7.476 8.163 1.00 0.00 H new ATOM 939 N ASP A 58 -4.604 -5.270 9.538 1.00 0.00 N ATOM 940 CA ASP A 58 -4.913 -6.026 10.740 1.00 0.00 C ATOM 941 C ASP A 58 -5.844 -5.262 11.705 1.00 0.00 C ATOM 942 O ASP A 58 -5.854 -5.450 12.921 1.00 0.00 O ATOM 943 CB ASP A 58 -3.604 -6.582 11.379 1.00 0.00 C ATOM 944 CG ASP A 58 -3.835 -7.661 12.415 1.00 0.00 C ATOM 945 OD1 ASP A 58 -4.954 -8.230 12.486 1.00 0.00 O ATOM 946 OD2 ASP A 58 -2.888 -7.937 13.201 1.00 0.00 O ATOM 0 H ASP A 58 -4.898 -5.749 8.687 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.507 -6.898 10.465 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.967 -6.981 10.589 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.060 -5.759 11.842 1.00 0.00 H new ATOM 951 N GLY A 59 -6.669 -4.346 11.158 1.00 0.00 N ATOM 952 CA GLY A 59 -7.534 -3.454 11.926 1.00 0.00 C ATOM 953 C GLY A 59 -6.919 -2.110 12.225 1.00 0.00 C ATOM 954 O GLY A 59 -7.627 -1.128 12.428 1.00 0.00 O ATOM 0 H GLY A 59 -6.747 -4.210 10.150 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.463 -3.303 11.376 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.796 -3.939 12.866 1.00 0.00 H new ATOM 958 N GLN A 60 -5.582 -2.008 12.265 1.00 0.00 N ATOM 959 CA GLN A 60 -4.871 -0.780 12.592 1.00 0.00 C ATOM 960 C GLN A 60 -4.601 0.028 11.323 1.00 0.00 C ATOM 961 O GLN A 60 -4.591 -0.549 10.239 1.00 0.00 O ATOM 962 CB GLN A 60 -3.494 -1.081 13.257 1.00 0.00 C ATOM 963 CG GLN A 60 -3.554 -1.711 14.674 1.00 0.00 C ATOM 964 CD GLN A 60 -4.018 -3.169 14.706 1.00 0.00 C ATOM 965 OE1 GLN A 60 -5.002 -3.517 15.361 1.00 0.00 O ATOM 966 NE2 GLN A 60 -3.298 -4.058 13.992 1.00 0.00 N ATOM 0 H GLN A 60 -4.962 -2.793 12.067 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.501 -0.221 13.284 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.935 -1.752 12.605 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.929 -0.151 13.317 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.564 -1.649 15.127 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -4.226 -1.116 15.293 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.487 -3.746 13.458 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.564 -5.043 13.986 1.00 0.00 H new ATOM 975 N PRO A 61 -4.345 1.327 11.323 1.00 0.00 N ATOM 976 CA PRO A 61 -3.693 1.966 10.182 1.00 0.00 C ATOM 977 C PRO A 61 -2.223 1.562 10.096 1.00 0.00 C ATOM 978 O PRO A 61 -1.600 1.286 11.121 1.00 0.00 O ATOM 979 CB PRO A 61 -3.853 3.463 10.497 1.00 0.00 C ATOM 980 CG PRO A 61 -3.866 3.532 12.029 1.00 0.00 C ATOM 981 CD PRO A 61 -4.605 2.253 12.427 1.00 0.00 C ATOM 0 HA PRO A 61 -4.120 1.685 9.219 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.032 4.047 10.080 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.775 3.862 10.074 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.857 3.559 12.440 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.380 4.423 12.388 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -4.235 1.858 13.373 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.673 2.433 12.552 1.00 0.00 H new ATOM 989 N ILE A 62 -1.634 1.522 8.889 1.00 0.00 N ATOM 990 CA ILE A 62 -0.212 1.254 8.709 1.00 0.00 C ATOM 991 C ILE A 62 0.484 2.550 8.314 1.00 0.00 C ATOM 992 O ILE A 62 -0.164 3.531 7.950 1.00 0.00 O ATOM 993 CB ILE A 62 0.031 0.106 7.720 1.00 0.00 C ATOM 994 CG1 ILE A 62 1.439 -0.527 7.862 1.00 0.00 C ATOM 995 CG2 ILE A 62 -0.283 0.538 6.271 1.00 0.00 C ATOM 996 CD1 ILE A 62 1.579 -1.878 7.151 1.00 0.00 C ATOM 0 H ILE A 62 -2.137 1.676 8.015 1.00 0.00 H new ATOM 0 HA ILE A 62 0.221 0.909 9.648 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.669 -0.688 7.979 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.181 0.164 7.461 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.664 -0.658 8.920 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.101 -0.297 5.595 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.328 0.841 6.200 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.358 1.375 5.994 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.590 -2.261 7.293 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.861 -2.585 7.568 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.386 -1.750 6.086 1.00 0.00 H new ATOM 1008 N ASN A 63 1.824 2.605 8.409 1.00 0.00 N ATOM 1009 CA ASN A 63 2.628 3.732 7.990 1.00 0.00 C ATOM 1010 C ASN A 63 3.544 3.272 6.864 1.00 0.00 C ATOM 1011 O ASN A 63 3.860 2.096 6.731 1.00 0.00 O ATOM 1012 CB ASN A 63 3.462 4.289 9.165 1.00 0.00 C ATOM 1013 CG ASN A 63 2.530 4.824 10.241 1.00 0.00 C ATOM 1014 OD1 ASN A 63 2.079 4.109 11.140 1.00 0.00 O ATOM 1015 ND2 ASN A 63 2.212 6.136 10.175 1.00 0.00 N ATOM 0 H ASN A 63 2.378 1.839 8.792 1.00 0.00 H new ATOM 0 HA ASN A 63 1.976 4.534 7.644 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.098 3.505 9.577 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.121 5.082 8.813 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.592 6.546 10.874 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.592 6.716 9.427 1.00 0.00 H new ATOM 1022 N GLU A 64 3.951 4.202 5.984 1.00 0.00 N ATOM 1023 CA GLU A 64 4.517 3.874 4.689 1.00 0.00 C ATOM 1024 C GLU A 64 6.029 4.074 4.557 1.00 0.00 C ATOM 1025 O GLU A 64 6.619 3.757 3.526 1.00 0.00 O ATOM 1026 CB GLU A 64 3.773 4.750 3.643 1.00 0.00 C ATOM 1027 CG GLU A 64 3.748 6.263 3.986 1.00 0.00 C ATOM 1028 CD GLU A 64 3.054 7.095 2.916 1.00 0.00 C ATOM 1029 OE1 GLU A 64 3.605 7.238 1.802 1.00 0.00 O ATOM 1030 OE2 GLU A 64 1.971 7.657 3.216 1.00 0.00 O ATOM 0 H GLU A 64 3.891 5.204 6.163 1.00 0.00 H new ATOM 0 HA GLU A 64 4.379 2.804 4.534 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.247 4.617 2.671 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.747 4.393 3.549 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.240 6.407 4.939 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.770 6.620 4.112 1.00 0.00 H new ATOM 1037 N ASN A 65 6.723 4.614 5.573 1.00 0.00 N ATOM 1038 CA ASN A 65 8.094 5.095 5.412 1.00 0.00 C ATOM 1039 C ASN A 65 9.174 4.016 5.347 1.00 0.00 C ATOM 1040 O ASN A 65 10.166 4.164 4.627 1.00 0.00 O ATOM 1041 CB ASN A 65 8.473 6.077 6.549 1.00 0.00 C ATOM 1042 CG ASN A 65 7.540 7.277 6.519 1.00 0.00 C ATOM 1043 OD1 ASN A 65 7.220 7.827 5.462 1.00 0.00 O ATOM 1044 ND2 ASN A 65 7.090 7.719 7.711 1.00 0.00 N ATOM 0 H ASN A 65 6.350 4.726 6.516 1.00 0.00 H new ATOM 0 HA ASN A 65 8.078 5.583 4.438 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.405 5.575 7.514 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.506 6.404 6.431 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.469 8.527 7.754 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.371 7.245 8.570 1.00 0.00 H new ATOM 1051 N ASP A 66 9.015 2.936 6.131 1.00 0.00 N ATOM 1052 CA ASP A 66 9.977 1.874 6.327 1.00 0.00 C ATOM 1053 C ASP A 66 10.160 0.943 5.119 1.00 0.00 C ATOM 1054 O ASP A 66 9.392 0.944 4.155 1.00 0.00 O ATOM 1055 CB ASP A 66 9.535 1.006 7.543 1.00 0.00 C ATOM 1056 CG ASP A 66 9.237 1.846 8.766 1.00 0.00 C ATOM 1057 OD1 ASP A 66 8.188 2.548 8.785 1.00 0.00 O ATOM 1058 OD2 ASP A 66 10.042 1.812 9.732 1.00 0.00 O ATOM 0 H ASP A 66 8.160 2.786 6.668 1.00 0.00 H new ATOM 0 HA ASP A 66 10.934 2.369 6.490 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.649 0.431 7.274 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.320 0.288 7.780 1.00 0.00 H new ATOM 1063 N THR A 67 11.200 0.082 5.165 1.00 0.00 N ATOM 1064 CA THR A 67 11.328 -1.049 4.252 1.00 0.00 C ATOM 1065 C THR A 67 10.588 -2.238 4.862 1.00 0.00 C ATOM 1066 O THR A 67 10.527 -2.348 6.091 1.00 0.00 O ATOM 1067 CB THR A 67 12.769 -1.448 3.896 1.00 0.00 C ATOM 1068 OG1 THR A 67 13.546 -1.826 5.023 1.00 0.00 O ATOM 1069 CG2 THR A 67 13.473 -0.246 3.259 1.00 0.00 C ATOM 0 H THR A 67 11.964 0.160 5.836 1.00 0.00 H new ATOM 0 HA THR A 67 10.891 -0.735 3.304 1.00 0.00 H new ATOM 0 HB THR A 67 12.693 -2.304 3.226 1.00 0.00 H new ATOM 0 HG1 THR A 67 14.449 -2.069 4.731 1.00 0.00 H new ATOM 0 HG21 THR A 67 14.497 -0.518 3.002 1.00 0.00 H new ATOM 0 HG22 THR A 67 12.939 0.052 2.356 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.484 0.585 3.964 1.00 0.00 H new ATOM 1077 N PRO A 68 9.982 -3.155 4.109 1.00 0.00 N ATOM 1078 CA PRO A 68 9.056 -4.139 4.678 1.00 0.00 C ATOM 1079 C PRO A 68 9.748 -5.238 5.466 1.00 0.00 C ATOM 1080 O PRO A 68 9.072 -6.079 6.054 1.00 0.00 O ATOM 1081 CB PRO A 68 8.329 -4.704 3.440 1.00 0.00 C ATOM 1082 CG PRO A 68 9.287 -4.446 2.274 1.00 0.00 C ATOM 1083 CD PRO A 68 9.908 -3.106 2.647 1.00 0.00 C ATOM 0 HA PRO A 68 8.387 -3.684 5.408 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.122 -5.768 3.554 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.371 -4.208 3.283 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.038 -5.231 2.185 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.762 -4.398 1.320 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.894 -2.983 2.200 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.296 -2.271 2.304 1.00 0.00 H new ATOM 1091 N THR A 69 11.093 -5.268 5.530 1.00 0.00 N ATOM 1092 CA THR A 69 11.825 -6.332 6.213 1.00 0.00 C ATOM 1093 C THR A 69 11.654 -6.337 7.722 1.00 0.00 C ATOM 1094 O THR A 69 11.757 -7.387 8.347 1.00 0.00 O ATOM 1095 CB THR A 69 13.312 -6.387 5.868 1.00 0.00 C ATOM 1096 OG1 THR A 69 13.906 -7.592 6.335 1.00 0.00 O ATOM 1097 CG2 THR A 69 14.116 -5.209 6.435 1.00 0.00 C ATOM 0 H THR A 69 11.692 -4.557 5.110 1.00 0.00 H new ATOM 0 HA THR A 69 11.354 -7.233 5.820 1.00 0.00 H new ATOM 0 HB THR A 69 13.350 -6.336 4.780 1.00 0.00 H new ATOM 0 HG1 THR A 69 14.857 -7.601 6.099 1.00 0.00 H new ATOM 0 HG21 THR A 69 15.163 -5.313 6.151 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.723 -4.274 6.035 1.00 0.00 H new ATOM 0 HG23 THR A 69 14.034 -5.202 7.522 1.00 0.00 H new ATOM 1105 N SER A 70 11.361 -5.186 8.359 1.00 0.00 N ATOM 1106 CA SER A 70 11.171 -5.118 9.809 1.00 0.00 C ATOM 1107 C SER A 70 9.828 -5.661 10.279 1.00 0.00 C ATOM 1108 O SER A 70 9.550 -5.684 11.473 1.00 0.00 O ATOM 1109 CB SER A 70 11.289 -3.673 10.365 1.00 0.00 C ATOM 1110 OG SER A 70 12.597 -3.141 10.134 1.00 0.00 O ATOM 0 H SER A 70 11.252 -4.290 7.883 1.00 0.00 H new ATOM 0 HA SER A 70 11.975 -5.745 10.194 1.00 0.00 H new ATOM 0 HB2 SER A 70 10.544 -3.035 9.890 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.075 -3.672 11.434 1.00 0.00 H new ATOM 0 HG SER A 70 12.647 -2.230 10.491 1.00 0.00 H new ATOM 1116 N LEU A 71 8.955 -6.110 9.356 1.00 0.00 N ATOM 1117 CA LEU A 71 7.662 -6.689 9.680 1.00 0.00 C ATOM 1118 C LEU A 71 7.727 -8.208 9.851 1.00 0.00 C ATOM 1119 O LEU A 71 6.891 -8.797 10.533 1.00 0.00 O ATOM 1120 CB LEU A 71 6.659 -6.306 8.558 1.00 0.00 C ATOM 1121 CG LEU A 71 5.181 -6.666 8.818 1.00 0.00 C ATOM 1122 CD1 LEU A 71 4.623 -5.966 10.069 1.00 0.00 C ATOM 1123 CD2 LEU A 71 4.321 -6.325 7.592 1.00 0.00 C ATOM 0 H LEU A 71 9.143 -6.074 8.354 1.00 0.00 H new ATOM 0 HA LEU A 71 7.333 -6.289 10.639 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.726 -5.231 8.390 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.974 -6.793 7.635 1.00 0.00 H new ATOM 0 HG LEU A 71 5.140 -7.740 8.999 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.580 -6.250 10.210 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.202 -6.265 10.942 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.690 -4.886 9.942 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.282 -6.585 7.793 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.394 -5.258 7.382 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.676 -6.889 6.730 1.00 0.00 H new ATOM 1135 N GLU A 72 8.734 -8.859 9.220 1.00 0.00 N ATOM 1136 CA GLU A 72 8.961 -10.303 9.150 1.00 0.00 C ATOM 1137 C GLU A 72 7.737 -11.179 8.869 1.00 0.00 C ATOM 1138 O GLU A 72 7.198 -11.864 9.737 1.00 0.00 O ATOM 1139 CB GLU A 72 9.818 -10.846 10.324 1.00 0.00 C ATOM 1140 CG GLU A 72 11.202 -10.150 10.417 1.00 0.00 C ATOM 1141 CD GLU A 72 12.170 -10.779 11.403 1.00 0.00 C ATOM 1142 OE1 GLU A 72 11.892 -11.860 11.982 1.00 0.00 O ATOM 1143 OE2 GLU A 72 13.253 -10.173 11.617 1.00 0.00 O ATOM 0 H GLU A 72 9.454 -8.343 8.714 1.00 0.00 H new ATOM 0 HA GLU A 72 9.551 -10.398 8.239 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.279 -10.703 11.260 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.962 -11.919 10.199 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.661 -10.153 9.428 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.050 -9.107 10.695 1.00 0.00 H new ATOM 1150 N MET A 73 7.273 -11.177 7.603 1.00 0.00 N ATOM 1151 CA MET A 73 6.084 -11.891 7.163 1.00 0.00 C ATOM 1152 C MET A 73 6.342 -12.800 5.955 1.00 0.00 C ATOM 1153 O MET A 73 5.468 -13.539 5.507 1.00 0.00 O ATOM 1154 CB MET A 73 5.024 -10.826 6.770 1.00 0.00 C ATOM 1155 CG MET A 73 3.567 -11.321 6.806 1.00 0.00 C ATOM 1156 SD MET A 73 2.981 -11.693 8.486 1.00 0.00 S ATOM 1157 CE MET A 73 2.599 -9.972 8.920 1.00 0.00 C ATOM 0 H MET A 73 7.733 -10.664 6.851 1.00 0.00 H new ATOM 0 HA MET A 73 5.750 -12.535 7.977 1.00 0.00 H new ATOM 0 HB2 MET A 73 5.120 -9.973 7.442 1.00 0.00 H new ATOM 0 HB3 MET A 73 5.246 -10.466 5.765 1.00 0.00 H new ATOM 0 HG2 MET A 73 2.921 -10.563 6.362 1.00 0.00 H new ATOM 0 HG3 MET A 73 3.478 -12.216 6.190 1.00 0.00 H new ATOM 0 HE1 MET A 73 3.023 -9.740 9.897 1.00 0.00 H new ATOM 0 HE2 MET A 73 3.026 -9.305 8.172 1.00 0.00 H new ATOM 0 HE3 MET A 73 1.518 -9.836 8.952 1.00 0.00 H new ATOM 1167 N GLU A 74 7.558 -12.741 5.374 1.00 0.00 N ATOM 1168 CA GLU A 74 7.843 -13.065 3.976 1.00 0.00 C ATOM 1169 C GLU A 74 7.046 -12.252 2.953 1.00 0.00 C ATOM 1170 O GLU A 74 7.502 -11.202 2.503 1.00 0.00 O ATOM 1171 CB GLU A 74 7.873 -14.586 3.638 1.00 0.00 C ATOM 1172 CG GLU A 74 8.256 -14.864 2.154 1.00 0.00 C ATOM 1173 CD GLU A 74 8.663 -16.291 1.861 1.00 0.00 C ATOM 1174 OE1 GLU A 74 7.848 -17.229 2.033 1.00 0.00 O ATOM 1175 OE2 GLU A 74 9.833 -16.497 1.439 1.00 0.00 O ATOM 0 H GLU A 74 8.391 -12.456 5.889 1.00 0.00 H new ATOM 0 HA GLU A 74 8.876 -12.734 3.872 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.587 -15.086 4.293 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.894 -15.019 3.844 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.408 -14.605 1.520 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.076 -14.202 1.875 1.00 0.00 H new ATOM 1182 N GLU A 75 5.845 -12.708 2.550 1.00 0.00 N ATOM 1183 CA GLU A 75 5.067 -12.049 1.525 1.00 0.00 C ATOM 1184 C GLU A 75 3.613 -12.458 1.606 1.00 0.00 C ATOM 1185 O GLU A 75 3.223 -13.289 2.426 1.00 0.00 O ATOM 1186 CB GLU A 75 5.602 -12.314 0.088 1.00 0.00 C ATOM 1187 CG GLU A 75 5.418 -13.750 -0.476 1.00 0.00 C ATOM 1188 CD GLU A 75 4.779 -13.747 -1.849 1.00 0.00 C ATOM 1189 OE1 GLU A 75 5.293 -13.048 -2.764 1.00 0.00 O ATOM 1190 OE2 GLU A 75 3.743 -14.439 -2.040 1.00 0.00 O ATOM 0 H GLU A 75 5.402 -13.542 2.935 1.00 0.00 H new ATOM 0 HA GLU A 75 5.162 -10.980 1.717 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.111 -11.617 -0.591 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.666 -12.077 0.073 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.388 -14.245 -0.529 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.801 -14.331 0.209 1.00 0.00 H new ATOM 1197 N GLY A 76 2.752 -11.872 0.750 1.00 0.00 N ATOM 1198 CA GLY A 76 1.318 -12.135 0.761 1.00 0.00 C ATOM 1199 C GLY A 76 0.614 -11.322 1.804 1.00 0.00 C ATOM 1200 O GLY A 76 -0.319 -11.793 2.451 1.00 0.00 O ATOM 0 H GLY A 76 3.042 -11.204 0.035 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.899 -11.910 -0.220 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.144 -13.195 0.947 1.00 0.00 H new ATOM 1204 N ASP A 77 1.065 -10.073 1.986 1.00 0.00 N ATOM 1205 CA ASP A 77 0.609 -9.173 3.020 1.00 0.00 C ATOM 1206 C ASP A 77 -0.774 -8.606 2.688 1.00 0.00 C ATOM 1207 O ASP A 77 -1.021 -8.166 1.564 1.00 0.00 O ATOM 1208 CB ASP A 77 1.696 -8.081 3.178 1.00 0.00 C ATOM 1209 CG ASP A 77 1.599 -7.418 4.531 1.00 0.00 C ATOM 1210 OD1 ASP A 77 1.531 -8.176 5.531 1.00 0.00 O ATOM 1211 OD2 ASP A 77 1.593 -6.165 4.577 1.00 0.00 O ATOM 0 H ASP A 77 1.782 -9.660 1.389 1.00 0.00 H new ATOM 0 HA ASP A 77 0.478 -9.691 3.970 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.684 -8.525 3.056 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.583 -7.333 2.393 1.00 0.00 H new ATOM 1216 N THR A 78 -1.734 -8.685 3.634 1.00 0.00 N ATOM 1217 CA THR A 78 -3.165 -8.521 3.363 1.00 0.00 C ATOM 1218 C THR A 78 -3.756 -7.238 3.921 1.00 0.00 C ATOM 1219 O THR A 78 -4.266 -7.174 5.041 1.00 0.00 O ATOM 1220 CB THR A 78 -4.003 -9.710 3.847 1.00 0.00 C ATOM 1221 OG1 THR A 78 -3.651 -10.122 5.165 1.00 0.00 O ATOM 1222 CG2 THR A 78 -3.733 -10.912 2.932 1.00 0.00 C ATOM 0 H THR A 78 -1.527 -8.867 4.616 1.00 0.00 H new ATOM 0 HA THR A 78 -3.216 -8.467 2.276 1.00 0.00 H new ATOM 0 HB THR A 78 -5.045 -9.391 3.833 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.696 -9.353 5.771 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.324 -11.764 3.267 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.009 -10.659 1.908 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.674 -11.168 2.970 1.00 0.00 H new ATOM 1230 N ILE A 79 -3.753 -6.156 3.121 1.00 0.00 N ATOM 1231 CA ILE A 79 -4.270 -4.852 3.521 1.00 0.00 C ATOM 1232 C ILE A 79 -5.660 -4.600 2.928 1.00 0.00 C ATOM 1233 O ILE A 79 -5.948 -4.976 1.790 1.00 0.00 O ATOM 1234 CB ILE A 79 -3.263 -3.750 3.171 1.00 0.00 C ATOM 1235 CG1 ILE A 79 -3.566 -2.425 3.906 1.00 0.00 C ATOM 1236 CG2 ILE A 79 -3.136 -3.566 1.643 1.00 0.00 C ATOM 1237 CD1 ILE A 79 -2.471 -1.365 3.753 1.00 0.00 C ATOM 0 H ILE A 79 -3.385 -6.172 2.170 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.396 -4.839 4.604 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.288 -4.076 3.532 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.505 -2.019 3.530 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.710 -2.634 4.966 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.414 -2.777 1.430 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.798 -4.499 1.191 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.106 -3.292 1.228 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.757 -0.465 4.297 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.534 -1.749 4.155 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.342 -1.125 2.698 1.00 0.00 H new ATOM 1249 N GLU A 80 -6.587 -3.965 3.686 1.00 0.00 N ATOM 1250 CA GLU A 80 -7.897 -3.578 3.171 1.00 0.00 C ATOM 1251 C GLU A 80 -7.985 -2.074 3.014 1.00 0.00 C ATOM 1252 O GLU A 80 -7.307 -1.311 3.708 1.00 0.00 O ATOM 1253 CB GLU A 80 -9.092 -4.135 3.999 1.00 0.00 C ATOM 1254 CG GLU A 80 -9.276 -3.569 5.436 1.00 0.00 C ATOM 1255 CD GLU A 80 -10.201 -2.367 5.581 1.00 0.00 C ATOM 1256 OE1 GLU A 80 -10.789 -1.842 4.607 1.00 0.00 O ATOM 1257 OE2 GLU A 80 -10.354 -1.905 6.743 1.00 0.00 O ATOM 0 H GLU A 80 -6.437 -3.714 4.663 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.987 -4.043 2.189 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.009 -3.947 3.440 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.979 -5.217 4.072 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.655 -4.369 6.072 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.295 -3.293 5.822 1.00 0.00 H new ATOM 1264 N VAL A 81 -8.789 -1.600 2.047 1.00 0.00 N ATOM 1265 CA VAL A 81 -8.884 -0.183 1.761 1.00 0.00 C ATOM 1266 C VAL A 81 -10.291 0.251 1.375 1.00 0.00 C ATOM 1267 O VAL A 81 -10.952 -0.317 0.506 1.00 0.00 O ATOM 1268 CB VAL A 81 -7.831 0.249 0.734 1.00 0.00 C ATOM 1269 CG1 VAL A 81 -8.009 -0.444 -0.629 1.00 0.00 C ATOM 1270 CG2 VAL A 81 -7.803 1.776 0.563 1.00 0.00 C ATOM 0 H VAL A 81 -9.377 -2.189 1.457 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.664 0.343 2.690 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.869 -0.072 1.135 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.236 -0.100 -1.316 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.927 -1.523 -0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.990 -0.200 -1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.045 2.046 -0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.779 2.122 0.222 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.565 2.245 1.518 1.00 0.00 H new ATOM 1280 N TYR A 82 -10.802 1.322 2.014 1.00 0.00 N ATOM 1281 CA TYR A 82 -12.026 1.984 1.608 1.00 0.00 C ATOM 1282 C TYR A 82 -11.720 2.984 0.502 1.00 0.00 C ATOM 1283 O TYR A 82 -10.901 3.888 0.666 1.00 0.00 O ATOM 1284 CB TYR A 82 -12.703 2.708 2.807 1.00 0.00 C ATOM 1285 CG TYR A 82 -14.051 3.290 2.459 1.00 0.00 C ATOM 1286 CD1 TYR A 82 -15.152 2.439 2.293 1.00 0.00 C ATOM 1287 CD2 TYR A 82 -14.235 4.678 2.303 1.00 0.00 C ATOM 1288 CE1 TYR A 82 -16.416 2.955 1.980 1.00 0.00 C ATOM 1289 CE2 TYR A 82 -15.504 5.201 1.997 1.00 0.00 C ATOM 1290 CZ TYR A 82 -16.594 4.335 1.835 1.00 0.00 C ATOM 1291 OH TYR A 82 -17.884 4.822 1.532 1.00 0.00 O ATOM 0 H TYR A 82 -10.362 1.744 2.832 1.00 0.00 H new ATOM 0 HA TYR A 82 -12.719 1.228 1.240 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.819 2.004 3.631 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.049 3.506 3.159 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -15.024 1.373 2.408 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.394 5.346 2.419 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -17.254 2.287 1.850 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -15.638 6.267 1.887 1.00 0.00 H new ATOM 0 HH TYR A 82 -17.857 5.799 1.462 1.00 0.00 H new ATOM 1301 N GLN A 83 -12.388 2.827 -0.653 1.00 0.00 N ATOM 1302 CA GLN A 83 -12.369 3.772 -1.743 1.00 0.00 C ATOM 1303 C GLN A 83 -13.824 4.063 -2.066 1.00 0.00 C ATOM 1304 O GLN A 83 -14.683 3.194 -1.921 1.00 0.00 O ATOM 1305 CB GLN A 83 -11.625 3.198 -2.977 1.00 0.00 C ATOM 1306 CG GLN A 83 -10.174 2.763 -2.646 1.00 0.00 C ATOM 1307 CD GLN A 83 -9.390 2.255 -3.856 1.00 0.00 C ATOM 1308 OE1 GLN A 83 -8.360 2.826 -4.230 1.00 0.00 O ATOM 1309 NE2 GLN A 83 -9.857 1.151 -4.475 1.00 0.00 N ATOM 0 H GLN A 83 -12.968 2.010 -0.843 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.833 4.680 -1.468 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -12.178 2.342 -3.365 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.605 3.949 -3.767 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.642 3.608 -2.209 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -10.203 1.979 -1.889 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -10.710 0.702 -4.142 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -9.357 0.765 -5.276 1.00 0.00 H new ATOM 1318 N GLN A 84 -14.175 5.302 -2.468 1.00 0.00 N ATOM 1319 CA GLN A 84 -15.575 5.668 -2.641 1.00 0.00 C ATOM 1320 C GLN A 84 -16.222 5.147 -3.924 1.00 0.00 C ATOM 1321 O GLN A 84 -15.657 5.197 -5.018 1.00 0.00 O ATOM 1322 CB GLN A 84 -15.795 7.205 -2.540 1.00 0.00 C ATOM 1323 CG GLN A 84 -15.123 8.044 -3.657 1.00 0.00 C ATOM 1324 CD GLN A 84 -15.502 9.526 -3.557 1.00 0.00 C ATOM 1325 OE1 GLN A 84 -16.280 9.960 -2.720 1.00 0.00 O ATOM 1326 NE2 GLN A 84 -14.930 10.339 -4.481 1.00 0.00 N ATOM 0 H GLN A 84 -13.511 6.048 -2.674 1.00 0.00 H new ATOM 0 HA GLN A 84 -16.076 5.168 -1.812 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -16.867 7.404 -2.553 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -15.419 7.547 -1.576 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -14.040 7.940 -3.589 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -15.420 7.657 -4.632 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -14.284 9.953 -5.169 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -15.146 11.336 -4.487 1.00 0.00 H new