USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 670 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 52 LYS NZ :NH3+ -124:sc= -0.0148 (180deg=-0.174) USER MOD Set 1.2: A 82 GLN : amide:sc= -1.66 K(o=-1.7,f=-0.13) USER MOD Set 2.1: A 25 HIS : no HD1:sc= -3.63! C(o=-3.2!,f=-7.8!) USER MOD Set 2.2: A 29 LYS NZ :NH3+ -179:sc= 0.388 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.165 K(o=-0.16,f=-2.2!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.144 K(o=-0.14,f=-0.95) USER MOD Single : A 35 ASN : amide:sc= -0.0464 K(o=-0.046,f=-5.5!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 94:sc= 0.308 USER MOD Single : A 46 GLN : amide:sc= -0.0401 X(o=-0.04,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.218 X(o=-0.22,f=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.644 K(o=-0.64,f=-1.8) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0077 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 162:sc= -4.59! (180deg=-6.27!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -133:sc= -0.816 (180deg=-4.08!) USER MOD Single : A 90 ASN : amide:sc= -0.928 K(o=-0.93,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 151 N TRP A 14 -2.003 -1.861 7.254 1.00 0.00 N ATOM 152 CA TRP A 14 -0.821 -1.078 7.599 1.00 0.00 C ATOM 153 C TRP A 14 -1.107 -0.150 8.775 1.00 0.00 C ATOM 154 O TRP A 14 -0.252 0.056 9.635 1.00 0.00 O ATOM 155 CB TRP A 14 -0.354 -0.263 6.392 1.00 0.00 C ATOM 156 CG TRP A 14 -1.452 0.527 5.748 1.00 0.00 C ATOM 157 CD1 TRP A 14 -2.212 0.152 4.677 1.00 0.00 C ATOM 158 CD2 TRP A 14 -1.911 1.828 6.132 1.00 0.00 C ATOM 159 NE1 TRP A 14 -3.116 1.141 4.373 1.00 0.00 N ATOM 160 CE2 TRP A 14 -2.952 2.179 5.251 1.00 0.00 C ATOM 161 CE3 TRP A 14 -1.545 2.729 7.136 1.00 0.00 C ATOM 162 CZ2 TRP A 14 -3.629 3.393 5.345 1.00 0.00 C ATOM 163 CZ3 TRP A 14 -2.217 3.933 7.227 1.00 0.00 C ATOM 164 CH2 TRP A 14 -3.250 4.256 6.337 1.00 0.00 C ATOM 0 HA TRP A 14 -0.030 -1.769 7.890 1.00 0.00 H new ATOM 0 HB2 TRP A 14 0.437 0.418 6.706 1.00 0.00 H new ATOM 0 HB3 TRP A 14 0.080 -0.937 5.654 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -2.116 -0.784 4.147 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -3.799 1.107 3.616 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -0.751 2.489 7.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.425 3.644 4.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -1.941 4.638 7.998 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -3.757 5.205 6.436 1.00 0.00 H new ATOM 175 N GLU A 15 -2.314 0.405 8.805 1.00 0.00 N ATOM 176 CA GLU A 15 -2.711 1.312 9.876 1.00 0.00 C ATOM 177 C GLU A 15 -2.346 0.734 11.241 1.00 0.00 C ATOM 178 O GLU A 15 -2.201 1.467 12.220 1.00 0.00 O ATOM 179 CB GLU A 15 -4.215 1.586 9.812 1.00 0.00 C ATOM 180 CG GLU A 15 -4.642 2.345 8.567 1.00 0.00 C ATOM 181 CD GLU A 15 -6.149 2.471 8.449 1.00 0.00 C ATOM 182 OE1 GLU A 15 -6.791 2.864 9.446 1.00 0.00 O ATOM 183 OE2 GLU A 15 -6.686 2.177 7.361 1.00 0.00 O ATOM 0 H GLU A 15 -3.034 0.243 8.101 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.172 2.250 9.741 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.751 0.638 9.851 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.510 2.155 10.694 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.198 3.340 8.583 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.253 1.836 7.685 1.00 0.00 H new ATOM 190 N LEU A 16 -2.200 -0.585 11.298 1.00 0.00 N ATOM 191 CA LEU A 16 -1.852 -1.263 12.542 1.00 0.00 C ATOM 192 C LEU A 16 -0.427 -0.925 12.967 1.00 0.00 C ATOM 193 O LEU A 16 -0.145 -0.767 14.155 1.00 0.00 O ATOM 194 CB LEU A 16 -2.002 -2.777 12.380 1.00 0.00 C ATOM 195 CG LEU A 16 -3.413 -3.283 12.080 1.00 0.00 C ATOM 196 CD1 LEU A 16 -3.380 -4.750 11.679 1.00 0.00 C ATOM 197 CD2 LEU A 16 -4.320 -3.079 13.285 1.00 0.00 C ATOM 0 H LEU A 16 -2.317 -1.206 10.498 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.535 -0.917 13.318 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.342 -3.103 11.576 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.652 -3.257 13.294 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.815 -2.708 11.246 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.393 -5.093 11.469 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.765 -4.870 10.787 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.958 -5.340 12.493 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.320 -3.445 13.054 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.921 -3.628 14.138 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.369 -2.018 13.528 1.00 0.00 H new ATOM 209 N GLN A 17 0.466 -0.812 11.989 1.00 0.00 N ATOM 210 CA GLN A 17 1.861 -0.490 12.263 1.00 0.00 C ATOM 211 C GLN A 17 2.040 1.007 12.490 1.00 0.00 C ATOM 212 O GLN A 17 2.789 1.426 13.373 1.00 0.00 O ATOM 213 CB GLN A 17 2.750 -0.952 11.106 1.00 0.00 C ATOM 214 CG GLN A 17 2.753 -2.459 10.906 1.00 0.00 C ATOM 215 CD GLN A 17 3.813 -3.156 11.736 1.00 0.00 C ATOM 216 OE1 GLN A 17 4.709 -2.513 12.286 1.00 0.00 O ATOM 217 NE2 GLN A 17 3.718 -4.477 11.832 1.00 0.00 N ATOM 0 H GLN A 17 0.248 -0.939 11.001 1.00 0.00 H new ATOM 0 HA GLN A 17 2.157 -1.015 13.172 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.414 -0.472 10.187 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.771 -0.616 11.286 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.773 -2.858 11.166 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.918 -2.681 9.852 1.00 0.00 H new ATOM 0 HE21 GLN A 17 2.960 -4.969 11.360 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.403 -4.999 12.378 1.00 0.00 H new ATOM 226 N ILE A 18 1.349 1.809 11.687 1.00 0.00 N ATOM 227 CA ILE A 18 1.432 3.260 11.802 1.00 0.00 C ATOM 228 C ILE A 18 0.762 3.749 13.081 1.00 0.00 C ATOM 229 O ILE A 18 -0.209 3.157 13.551 1.00 0.00 O ATOM 230 CB ILE A 18 0.778 3.958 10.594 1.00 0.00 C ATOM 231 CG1 ILE A 18 1.394 5.343 10.383 1.00 0.00 C ATOM 232 CG2 ILE A 18 -0.726 4.066 10.795 1.00 0.00 C ATOM 233 CD1 ILE A 18 0.699 6.157 9.315 1.00 0.00 C ATOM 0 H ILE A 18 0.726 1.479 10.950 1.00 0.00 H new ATOM 0 HA ILE A 18 2.491 3.515 11.829 1.00 0.00 H new ATOM 0 HB ILE A 18 0.963 3.359 9.702 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.364 5.892 11.324 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.444 5.228 10.115 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.174 4.561 9.933 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.151 3.068 10.901 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.932 4.646 11.694 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.189 7.126 9.220 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.752 5.629 8.363 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.345 6.304 9.591 1.00 0.00 H new ATOM 245 N SER A 19 1.286 4.836 13.639 1.00 0.00 N ATOM 246 CA SER A 19 0.740 5.405 14.865 1.00 0.00 C ATOM 247 C SER A 19 -0.662 5.960 14.630 1.00 0.00 C ATOM 248 O SER A 19 -1.072 6.220 13.499 1.00 0.00 O ATOM 249 CB SER A 19 1.657 6.510 15.392 1.00 0.00 C ATOM 250 OG SER A 19 2.638 5.985 16.269 1.00 0.00 O ATOM 0 H SER A 19 2.088 5.340 13.261 1.00 0.00 H new ATOM 0 HA SER A 19 0.677 4.610 15.608 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.144 7.012 14.556 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.064 7.261 15.913 1.00 0.00 H new ATOM 0 HG SER A 19 3.212 6.711 16.590 1.00 0.00 H new ATOM 256 N PRO A 20 -1.415 6.146 15.724 1.00 0.00 N ATOM 257 CA PRO A 20 -2.782 6.672 15.664 1.00 0.00 C ATOM 258 C PRO A 20 -2.819 8.144 15.269 1.00 0.00 C ATOM 259 O PRO A 20 -3.737 8.587 14.580 1.00 0.00 O ATOM 260 CB PRO A 20 -3.295 6.489 17.095 1.00 0.00 C ATOM 261 CG PRO A 20 -2.069 6.488 17.940 1.00 0.00 C ATOM 262 CD PRO A 20 -0.990 5.857 17.104 1.00 0.00 C ATOM 0 HA PRO A 20 -3.383 6.161 14.912 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -3.971 7.295 17.379 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.849 5.556 17.201 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.795 7.502 18.231 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.229 5.925 18.860 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.011 6.285 17.321 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.916 4.785 17.286 1.00 0.00 H new ATOM 270 N GLU A 21 -1.815 8.896 15.708 1.00 0.00 N ATOM 271 CA GLU A 21 -1.735 10.319 15.400 1.00 0.00 C ATOM 272 C GLU A 21 -1.272 10.539 13.962 1.00 0.00 C ATOM 273 O GLU A 21 -1.557 11.573 13.357 1.00 0.00 O ATOM 274 CB GLU A 21 -0.780 11.021 16.367 1.00 0.00 C ATOM 275 CG GLU A 21 -1.261 11.015 17.809 1.00 0.00 C ATOM 276 CD GLU A 21 -0.423 11.904 18.707 1.00 0.00 C ATOM 277 OE1 GLU A 21 0.624 11.433 19.199 1.00 0.00 O ATOM 278 OE2 GLU A 21 -0.814 13.071 18.917 1.00 0.00 O ATOM 0 H GLU A 21 -1.046 8.544 16.278 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.732 10.745 15.513 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.196 10.537 16.316 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.642 12.053 16.043 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.299 11.346 17.843 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.239 9.994 18.191 1.00 0.00 H new ATOM 285 N LEU A 22 -0.557 9.559 13.421 1.00 0.00 N ATOM 286 CA LEU A 22 -0.054 9.643 12.054 1.00 0.00 C ATOM 287 C LEU A 22 -1.184 9.463 11.046 1.00 0.00 C ATOM 288 O LEU A 22 -1.254 10.174 10.042 1.00 0.00 O ATOM 289 CB LEU A 22 1.027 8.586 11.822 1.00 0.00 C ATOM 290 CG LEU A 22 2.413 8.908 12.380 1.00 0.00 C ATOM 291 CD1 LEU A 22 3.211 9.735 11.384 1.00 0.00 C ATOM 292 CD2 LEU A 22 2.295 9.639 13.710 1.00 0.00 C ATOM 0 H LEU A 22 -0.312 8.697 13.908 1.00 0.00 H new ATOM 0 HA LEU A 22 0.379 10.633 11.912 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.689 7.648 12.262 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.119 8.420 10.749 1.00 0.00 H new ATOM 0 HG LEU A 22 2.943 7.970 12.549 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.195 9.954 11.799 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.325 9.176 10.456 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.686 10.669 11.183 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.291 9.860 14.093 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.746 10.570 13.566 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.763 9.011 14.424 1.00 0.00 H new ATOM 304 N LEU A 23 -2.067 8.510 11.319 1.00 0.00 N ATOM 305 CA LEU A 23 -3.196 8.237 10.437 1.00 0.00 C ATOM 306 C LEU A 23 -4.010 9.503 10.186 1.00 0.00 C ATOM 307 O LEU A 23 -4.238 9.889 9.040 1.00 0.00 O ATOM 308 CB LEU A 23 -4.092 7.154 11.041 1.00 0.00 C ATOM 309 CG LEU A 23 -5.425 6.913 10.333 1.00 0.00 C ATOM 310 CD1 LEU A 23 -5.197 6.313 8.954 1.00 0.00 C ATOM 311 CD2 LEU A 23 -6.318 6.008 11.170 1.00 0.00 C ATOM 0 H LEU A 23 -2.023 7.913 12.145 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.802 7.884 9.484 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.536 6.217 11.054 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.297 7.418 12.079 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.927 7.872 10.210 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.157 6.149 8.465 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.597 6.997 8.354 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.673 5.362 9.053 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.263 5.847 10.650 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.822 5.050 11.325 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.510 6.478 12.135 1.00 0.00 H new ATOM 323 N ALA A 24 -4.442 10.146 11.266 1.00 0.00 N ATOM 324 CA ALA A 24 -5.225 11.371 11.163 1.00 0.00 C ATOM 325 C ALA A 24 -4.443 12.465 10.444 1.00 0.00 C ATOM 326 O ALA A 24 -4.921 13.046 9.469 1.00 0.00 O ATOM 327 CB ALA A 24 -5.649 11.845 12.545 1.00 0.00 C ATOM 0 H ALA A 24 -4.263 9.839 12.222 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.117 11.153 10.576 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.233 12.761 12.452 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.255 11.075 13.024 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.764 12.039 13.151 1.00 0.00 H new ATOM 333 N HIS A 25 -3.237 12.741 10.931 1.00 0.00 N ATOM 334 CA HIS A 25 -2.388 13.766 10.334 1.00 0.00 C ATOM 335 C HIS A 25 -2.294 13.580 8.822 1.00 0.00 C ATOM 336 O HIS A 25 -2.470 14.528 8.058 1.00 0.00 O ATOM 337 CB HIS A 25 -0.991 13.725 10.953 1.00 0.00 C ATOM 338 CG HIS A 25 0.085 14.223 10.038 1.00 0.00 C ATOM 339 ND1 HIS A 25 0.050 15.465 9.440 1.00 0.00 N ATOM 340 CD2 HIS A 25 1.232 13.638 9.619 1.00 0.00 C ATOM 341 CE1 HIS A 25 1.127 15.622 8.693 1.00 0.00 C ATOM 342 NE2 HIS A 25 1.862 14.528 8.785 1.00 0.00 N ATOM 0 H HIS A 25 -2.826 12.270 11.737 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.837 14.738 10.535 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -0.988 14.324 11.863 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -0.762 12.700 11.245 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.585 12.654 9.890 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.367 16.496 8.106 1.00 0.00 H new ATOM 0 HE2 HIS A 25 2.752 14.370 8.313 1.00 0.00 H new ATOM 351 N GLY A 26 -2.012 12.352 8.398 1.00 0.00 N ATOM 352 CA GLY A 26 -1.898 12.065 6.980 1.00 0.00 C ATOM 353 C GLY A 26 -3.219 12.208 6.251 1.00 0.00 C ATOM 354 O GLY A 26 -3.286 12.827 5.189 1.00 0.00 O ATOM 0 H GLY A 26 -1.860 11.551 9.011 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.166 12.738 6.534 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -1.521 11.051 6.847 1.00 0.00 H new ATOM 358 N ARG A 27 -4.273 11.634 6.822 1.00 0.00 N ATOM 359 CA ARG A 27 -5.599 11.698 6.217 1.00 0.00 C ATOM 360 C ARG A 27 -5.978 13.140 5.890 1.00 0.00 C ATOM 361 O ARG A 27 -6.374 13.447 4.766 1.00 0.00 O ATOM 362 CB ARG A 27 -6.641 11.086 7.156 1.00 0.00 C ATOM 363 CG ARG A 27 -6.786 9.581 7.005 1.00 0.00 C ATOM 364 CD ARG A 27 -7.697 9.000 8.075 1.00 0.00 C ATOM 365 NE ARG A 27 -8.188 7.673 7.714 1.00 0.00 N ATOM 366 CZ ARG A 27 -8.972 6.941 8.498 1.00 0.00 C ATOM 367 NH1 ARG A 27 -9.351 7.405 9.681 1.00 0.00 N ATOM 368 NH2 ARG A 27 -9.379 5.743 8.099 1.00 0.00 N ATOM 0 H ARG A 27 -4.235 11.120 7.702 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.576 11.127 5.289 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.368 11.315 8.186 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.607 11.556 6.970 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.188 9.350 6.018 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.804 9.112 7.067 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.156 8.942 9.019 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.543 9.669 8.233 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.914 7.287 6.810 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.041 8.326 9.991 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.953 6.841 10.281 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -9.090 5.383 7.189 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -9.981 5.182 8.702 1.00 0.00 H new ATOM 382 N GLN A 28 -5.853 14.018 6.880 1.00 0.00 N ATOM 383 CA GLN A 28 -6.184 15.426 6.697 1.00 0.00 C ATOM 384 C GLN A 28 -5.470 15.999 5.477 1.00 0.00 C ATOM 385 O GLN A 28 -6.097 16.592 4.598 1.00 0.00 O ATOM 386 CB GLN A 28 -5.809 16.227 7.945 1.00 0.00 C ATOM 387 CG GLN A 28 -6.467 17.595 8.011 1.00 0.00 C ATOM 388 CD GLN A 28 -7.975 17.512 8.143 1.00 0.00 C ATOM 389 OE1 GLN A 28 -8.511 16.532 8.662 1.00 0.00 O ATOM 390 NE2 GLN A 28 -8.669 18.542 7.673 1.00 0.00 N ATOM 0 H GLN A 28 -5.525 13.779 7.816 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.259 15.502 6.535 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.088 15.656 8.830 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.727 16.352 7.974 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.062 18.148 8.858 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.215 18.159 7.113 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.184 19.334 7.251 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.687 18.542 7.734 1.00 0.00 H new ATOM 399 N LYS A 29 -4.154 15.819 5.429 1.00 0.00 N ATOM 400 CA LYS A 29 -3.353 16.316 4.317 1.00 0.00 C ATOM 401 C LYS A 29 -3.969 15.914 2.980 1.00 0.00 C ATOM 402 O LYS A 29 -4.073 16.730 2.064 1.00 0.00 O ATOM 403 CB LYS A 29 -1.922 15.782 4.413 1.00 0.00 C ATOM 404 CG LYS A 29 -0.990 16.680 5.208 1.00 0.00 C ATOM 405 CD LYS A 29 -1.397 16.750 6.671 1.00 0.00 C ATOM 406 CE LYS A 29 -0.896 18.027 7.328 1.00 0.00 C ATOM 407 NZ LYS A 29 -1.407 18.172 8.719 1.00 0.00 N ATOM 0 H LYS A 29 -3.620 15.332 6.148 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.332 17.404 4.375 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.942 14.794 4.874 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.522 15.657 3.407 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.031 16.306 5.131 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.995 17.682 4.779 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.483 16.700 6.750 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.999 15.886 7.202 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.194 18.026 7.340 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.208 18.887 6.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.057 19.063 9.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.447 18.181 8.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.074 17.373 9.296 1.00 0.00 H new ATOM 421 N ILE A 30 -4.375 14.653 2.877 1.00 0.00 N ATOM 422 CA ILE A 30 -4.982 14.145 1.653 1.00 0.00 C ATOM 423 C ILE A 30 -6.353 14.770 1.419 1.00 0.00 C ATOM 424 O ILE A 30 -6.705 15.118 0.291 1.00 0.00 O ATOM 425 CB ILE A 30 -5.129 12.612 1.693 1.00 0.00 C ATOM 426 CG1 ILE A 30 -3.752 11.946 1.697 1.00 0.00 C ATOM 427 CG2 ILE A 30 -5.954 12.129 0.509 1.00 0.00 C ATOM 428 CD1 ILE A 30 -3.738 10.591 2.369 1.00 0.00 C ATOM 0 H ILE A 30 -4.295 13.965 3.626 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.317 14.417 0.834 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.648 12.335 2.610 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.408 11.836 0.669 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.042 12.601 2.203 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.049 11.044 0.550 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.945 12.582 0.547 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.460 12.414 -0.420 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.730 10.178 2.335 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.052 10.697 3.408 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.423 9.920 1.850 1.00 0.00 H new ATOM 440 N LEU A 31 -7.124 14.911 2.492 1.00 0.00 N ATOM 441 CA LEU A 31 -8.457 15.497 2.404 1.00 0.00 C ATOM 442 C LEU A 31 -8.395 16.908 1.829 1.00 0.00 C ATOM 443 O LEU A 31 -9.150 17.252 0.919 1.00 0.00 O ATOM 444 CB LEU A 31 -9.115 15.525 3.785 1.00 0.00 C ATOM 445 CG LEU A 31 -10.504 16.160 3.854 1.00 0.00 C ATOM 446 CD1 LEU A 31 -11.547 15.231 3.251 1.00 0.00 C ATOM 447 CD2 LEU A 31 -10.863 16.505 5.292 1.00 0.00 C ATOM 0 H LEU A 31 -6.849 14.628 3.432 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.056 14.878 1.735 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.187 14.501 4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.457 16.063 4.468 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.489 17.082 3.273 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.529 15.700 3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.300 15.035 2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.560 14.292 3.804 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.855 16.956 5.321 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.859 15.597 5.896 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.133 17.209 5.690 1.00 0.00 H new ATOM 459 N ASP A 32 -7.490 17.720 2.364 1.00 0.00 N ATOM 460 CA ASP A 32 -7.327 19.094 1.902 1.00 0.00 C ATOM 461 C ASP A 32 -7.042 19.132 0.404 1.00 0.00 C ATOM 462 O ASP A 32 -7.452 20.062 -0.293 1.00 0.00 O ATOM 463 CB ASP A 32 -6.195 19.781 2.667 1.00 0.00 C ATOM 464 CG ASP A 32 -6.178 21.281 2.452 1.00 0.00 C ATOM 465 OD1 ASP A 32 -6.612 21.731 1.370 1.00 0.00 O ATOM 466 OD2 ASP A 32 -5.732 22.006 3.365 1.00 0.00 O ATOM 0 H ASP A 32 -6.858 17.451 3.118 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.258 19.628 2.091 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.300 19.571 3.731 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.240 19.361 2.352 1.00 0.00 H new ATOM 471 N LEU A 33 -6.336 18.119 -0.085 1.00 0.00 N ATOM 472 CA LEU A 33 -5.994 18.037 -1.501 1.00 0.00 C ATOM 473 C LEU A 33 -7.199 17.599 -2.328 1.00 0.00 C ATOM 474 O LEU A 33 -7.415 18.087 -3.438 1.00 0.00 O ATOM 475 CB LEU A 33 -4.835 17.061 -1.711 1.00 0.00 C ATOM 476 CG LEU A 33 -4.292 16.960 -3.137 1.00 0.00 C ATOM 477 CD1 LEU A 33 -3.700 18.290 -3.577 1.00 0.00 C ATOM 478 CD2 LEU A 33 -3.253 15.853 -3.234 1.00 0.00 C ATOM 0 H LEU A 33 -5.989 17.343 0.478 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.690 19.029 -1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.017 17.352 -1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.160 16.069 -1.396 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.118 16.715 -3.804 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.318 18.200 -4.594 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.471 19.060 -3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.885 18.565 -2.907 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.877 15.795 -4.256 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.428 16.068 -2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.709 14.901 -2.961 1.00 0.00 H new ATOM 490 N LEU A 34 -7.982 16.677 -1.779 1.00 0.00 N ATOM 491 CA LEU A 34 -9.168 16.174 -2.464 1.00 0.00 C ATOM 492 C LEU A 34 -10.286 17.211 -2.450 1.00 0.00 C ATOM 493 O LEU A 34 -11.267 17.091 -3.183 1.00 0.00 O ATOM 494 CB LEU A 34 -9.649 14.879 -1.808 1.00 0.00 C ATOM 495 CG LEU A 34 -8.640 13.731 -1.767 1.00 0.00 C ATOM 496 CD1 LEU A 34 -9.083 12.666 -0.776 1.00 0.00 C ATOM 497 CD2 LEU A 34 -8.459 13.130 -3.154 1.00 0.00 C ATOM 0 H LEU A 34 -7.817 16.262 -0.862 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.900 15.971 -3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.954 15.105 -0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.538 14.536 -2.337 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.680 14.128 -1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.353 11.857 -0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.160 13.104 0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -10.054 12.272 -1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.737 12.314 -3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.415 12.748 -3.513 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.095 13.897 -3.838 1.00 0.00 H new ATOM 509 N ASN A 35 -10.130 18.231 -1.612 1.00 0.00 N ATOM 510 CA ASN A 35 -11.126 19.291 -1.504 1.00 0.00 C ATOM 511 C ASN A 35 -10.627 20.575 -2.160 1.00 0.00 C ATOM 512 O ASN A 35 -11.420 21.423 -2.567 1.00 0.00 O ATOM 513 CB ASN A 35 -11.464 19.553 -0.035 1.00 0.00 C ATOM 514 CG ASN A 35 -12.550 18.630 0.482 1.00 0.00 C ATOM 515 OD1 ASN A 35 -13.459 18.248 -0.255 1.00 0.00 O ATOM 516 ND2 ASN A 35 -12.460 18.267 1.756 1.00 0.00 N ATOM 0 H ASN A 35 -9.324 18.346 -0.998 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.026 18.965 -2.025 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.566 19.427 0.570 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.785 20.588 0.082 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.162 17.647 2.160 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.689 18.608 2.330 1.00 0.00 H new ATOM 523 N GLU A 36 -9.308 20.709 -2.259 1.00 0.00 N ATOM 524 CA GLU A 36 -8.705 21.889 -2.866 1.00 0.00 C ATOM 525 C GLU A 36 -7.741 21.495 -3.982 1.00 0.00 C ATOM 526 O GLU A 36 -6.897 22.288 -4.397 1.00 0.00 O ATOM 527 CB GLU A 36 -7.968 22.713 -1.808 1.00 0.00 C ATOM 528 CG GLU A 36 -8.886 23.327 -0.766 1.00 0.00 C ATOM 529 CD GLU A 36 -9.321 24.734 -1.127 1.00 0.00 C ATOM 530 OE1 GLU A 36 -8.438 25.594 -1.329 1.00 0.00 O ATOM 531 OE2 GLU A 36 -10.543 24.976 -1.208 1.00 0.00 O ATOM 0 H GLU A 36 -8.638 20.016 -1.927 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.504 22.493 -3.296 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.239 22.076 -1.307 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.411 23.508 -2.303 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.768 22.697 -0.648 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.376 23.344 0.197 1.00 0.00 H new ATOM 538 N GLY A 37 -7.875 20.263 -4.464 1.00 0.00 N ATOM 539 CA GLY A 37 -7.010 19.784 -5.527 1.00 0.00 C ATOM 540 C GLY A 37 -7.789 19.221 -6.699 1.00 0.00 C ATOM 541 O GLY A 37 -8.695 18.408 -6.517 1.00 0.00 O ATOM 0 H GLY A 37 -8.567 19.588 -4.138 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.379 20.602 -5.874 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.347 19.014 -5.132 1.00 0.00 H new ATOM 545 N SER A 38 -7.438 19.656 -7.905 1.00 0.00 N ATOM 546 CA SER A 38 -8.114 19.194 -9.111 1.00 0.00 C ATOM 547 C SER A 38 -7.524 17.872 -9.592 1.00 0.00 C ATOM 548 O SER A 38 -6.556 17.368 -9.023 1.00 0.00 O ATOM 549 CB SER A 38 -8.007 20.246 -10.216 1.00 0.00 C ATOM 550 OG SER A 38 -8.589 21.473 -9.811 1.00 0.00 O ATOM 0 H SER A 38 -6.689 20.328 -8.073 1.00 0.00 H new ATOM 0 HA SER A 38 -9.165 19.036 -8.871 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.959 20.404 -10.472 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.504 19.884 -11.116 1.00 0.00 H new ATOM 0 HG SER A 38 -8.506 22.129 -10.534 1.00 0.00 H new ATOM 556 N ALA A 39 -8.114 17.316 -10.645 1.00 0.00 N ATOM 557 CA ALA A 39 -7.646 16.054 -11.206 1.00 0.00 C ATOM 558 C ALA A 39 -6.135 16.070 -11.408 1.00 0.00 C ATOM 559 O ALA A 39 -5.416 15.241 -10.851 1.00 0.00 O ATOM 560 CB ALA A 39 -8.354 15.767 -12.522 1.00 0.00 C ATOM 0 H ALA A 39 -8.917 17.720 -11.127 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.883 15.260 -10.498 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.995 14.822 -12.930 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.429 15.704 -12.351 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.146 16.570 -13.230 1.00 0.00 H new ATOM 566 N ARG A 40 -5.660 17.019 -12.209 1.00 0.00 N ATOM 567 CA ARG A 40 -4.233 17.141 -12.486 1.00 0.00 C ATOM 568 C ARG A 40 -3.427 17.148 -11.191 1.00 0.00 C ATOM 569 O ARG A 40 -2.397 16.481 -11.085 1.00 0.00 O ATOM 570 CB ARG A 40 -3.954 18.418 -13.280 1.00 0.00 C ATOM 571 CG ARG A 40 -4.396 18.341 -14.733 1.00 0.00 C ATOM 572 CD ARG A 40 -3.334 17.688 -15.604 1.00 0.00 C ATOM 573 NE ARG A 40 -3.761 17.577 -16.996 1.00 0.00 N ATOM 574 CZ ARG A 40 -3.253 16.697 -17.852 1.00 0.00 C ATOM 575 NH1 ARG A 40 -2.306 15.856 -17.461 1.00 0.00 N ATOM 576 NH2 ARG A 40 -3.693 16.657 -19.103 1.00 0.00 N ATOM 0 H ARG A 40 -6.242 17.714 -12.677 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.928 16.279 -13.079 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.462 19.253 -12.798 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.886 18.631 -13.245 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.324 17.774 -14.803 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.606 19.344 -15.104 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.414 18.270 -15.552 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.105 16.696 -15.215 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.489 18.209 -17.329 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.965 15.883 -16.500 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.918 15.182 -18.121 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.422 17.302 -19.408 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.302 15.981 -19.760 1.00 0.00 H new ATOM 590 N ASP A 41 -3.901 17.906 -10.209 1.00 0.00 N ATOM 591 CA ASP A 41 -3.224 18.000 -8.920 1.00 0.00 C ATOM 592 C ASP A 41 -3.103 16.626 -8.269 1.00 0.00 C ATOM 593 O ASP A 41 -2.033 16.246 -7.793 1.00 0.00 O ATOM 594 CB ASP A 41 -3.979 18.954 -7.992 1.00 0.00 C ATOM 595 CG ASP A 41 -3.538 20.395 -8.160 1.00 0.00 C ATOM 596 OD1 ASP A 41 -2.317 20.651 -8.105 1.00 0.00 O ATOM 597 OD2 ASP A 41 -4.413 21.266 -8.344 1.00 0.00 O ATOM 0 H ASP A 41 -4.751 18.465 -10.280 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.221 18.390 -9.091 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.048 18.879 -8.190 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.824 18.648 -6.957 1.00 0.00 H new ATOM 602 N LEU A 42 -4.206 15.887 -8.250 1.00 0.00 N ATOM 603 CA LEU A 42 -4.224 14.555 -7.656 1.00 0.00 C ATOM 604 C LEU A 42 -3.253 13.624 -8.376 1.00 0.00 C ATOM 605 O LEU A 42 -2.500 12.885 -7.741 1.00 0.00 O ATOM 606 CB LEU A 42 -5.638 13.972 -7.705 1.00 0.00 C ATOM 607 CG LEU A 42 -6.735 14.818 -7.060 1.00 0.00 C ATOM 608 CD1 LEU A 42 -8.110 14.271 -7.414 1.00 0.00 C ATOM 609 CD2 LEU A 42 -6.552 14.868 -5.550 1.00 0.00 C ATOM 0 H LEU A 42 -5.100 16.187 -8.639 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.910 14.644 -6.616 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.904 13.803 -8.748 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.625 12.997 -7.217 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.659 15.833 -7.449 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.878 14.886 -6.946 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.241 14.288 -8.496 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.197 13.246 -7.054 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.342 15.475 -5.108 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.600 13.858 -5.144 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.583 15.308 -5.315 1.00 0.00 H new ATOM 621 N ARG A 43 -3.275 13.667 -9.704 1.00 0.00 N ATOM 622 CA ARG A 43 -2.396 12.828 -10.510 1.00 0.00 C ATOM 623 C ARG A 43 -0.980 12.822 -9.942 1.00 0.00 C ATOM 624 O ARG A 43 -0.254 11.835 -10.067 1.00 0.00 O ATOM 625 CB ARG A 43 -2.374 13.320 -11.958 1.00 0.00 C ATOM 626 CG ARG A 43 -3.621 12.954 -12.745 1.00 0.00 C ATOM 627 CD ARG A 43 -3.469 13.293 -14.220 1.00 0.00 C ATOM 628 NE ARG A 43 -2.347 12.587 -14.831 1.00 0.00 N ATOM 629 CZ ARG A 43 -1.097 13.037 -14.813 1.00 0.00 C ATOM 630 NH1 ARG A 43 -0.812 14.187 -14.217 1.00 0.00 N ATOM 631 NH2 ARG A 43 -0.130 12.337 -15.392 1.00 0.00 N ATOM 0 H ARG A 43 -3.892 14.274 -10.245 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.783 11.809 -10.485 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.257 14.404 -11.963 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.502 12.903 -12.461 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.823 11.889 -12.634 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.480 13.485 -12.335 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.388 13.038 -14.747 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.325 14.368 -14.332 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.533 11.699 -15.298 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.553 14.728 -13.771 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.148 14.531 -14.204 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.346 11.452 -15.852 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.829 12.684 -15.378 1.00 0.00 H new ATOM 645 N SER A 44 -0.593 13.930 -9.318 1.00 0.00 N ATOM 646 CA SER A 44 0.738 14.054 -8.734 1.00 0.00 C ATOM 647 C SER A 44 0.993 12.941 -7.722 1.00 0.00 C ATOM 648 O SER A 44 2.058 12.323 -7.717 1.00 0.00 O ATOM 649 CB SER A 44 0.897 15.418 -8.060 1.00 0.00 C ATOM 650 OG SER A 44 0.625 16.471 -8.968 1.00 0.00 O ATOM 0 H SER A 44 -1.182 14.755 -9.204 1.00 0.00 H new ATOM 0 HA SER A 44 1.470 13.966 -9.537 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.222 15.486 -7.207 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.911 15.520 -7.673 1.00 0.00 H new ATOM 0 HG SER A 44 -0.314 16.738 -8.887 1.00 0.00 H new ATOM 656 N LEU A 45 0.008 12.691 -6.866 1.00 0.00 N ATOM 657 CA LEU A 45 0.124 11.652 -5.849 1.00 0.00 C ATOM 658 C LEU A 45 0.690 10.367 -6.444 1.00 0.00 C ATOM 659 O LEU A 45 0.827 10.244 -7.661 1.00 0.00 O ATOM 660 CB LEU A 45 -1.241 11.377 -5.215 1.00 0.00 C ATOM 661 CG LEU A 45 -1.712 12.389 -4.170 1.00 0.00 C ATOM 662 CD1 LEU A 45 -3.231 12.427 -4.110 1.00 0.00 C ATOM 663 CD2 LEU A 45 -1.131 12.054 -2.804 1.00 0.00 C ATOM 0 H LEU A 45 -0.880 13.194 -6.856 1.00 0.00 H new ATOM 0 HA LEU A 45 0.810 12.006 -5.080 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.986 11.332 -6.010 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.211 10.392 -4.750 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.356 13.377 -4.462 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.547 13.153 -3.361 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.627 12.715 -5.084 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.609 11.441 -3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.477 12.784 -2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.457 11.058 -2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.043 12.079 -2.855 1.00 0.00 H new ATOM 675 N GLN A 46 1.013 9.412 -5.578 1.00 0.00 N ATOM 676 CA GLN A 46 1.562 8.135 -6.020 1.00 0.00 C ATOM 677 C GLN A 46 0.464 7.232 -6.572 1.00 0.00 C ATOM 678 O GLN A 46 0.347 7.051 -7.784 1.00 0.00 O ATOM 679 CB GLN A 46 2.279 7.437 -4.863 1.00 0.00 C ATOM 680 CG GLN A 46 3.442 8.237 -4.297 1.00 0.00 C ATOM 681 CD GLN A 46 4.658 8.219 -5.202 1.00 0.00 C ATOM 682 OE1 GLN A 46 5.121 9.265 -5.659 1.00 0.00 O ATOM 683 NE2 GLN A 46 5.182 7.029 -5.466 1.00 0.00 N ATOM 0 H GLN A 46 0.904 9.498 -4.567 1.00 0.00 H new ATOM 0 HA GLN A 46 2.279 8.333 -6.817 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.561 7.242 -4.066 1.00 0.00 H new ATOM 0 HB3 GLN A 46 2.647 6.469 -5.205 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.126 9.268 -4.140 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.714 7.835 -3.321 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.766 6.188 -5.066 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.001 6.955 -6.069 1.00 0.00 H new ATOM 692 N ARG A 47 -0.338 6.668 -5.675 1.00 0.00 N ATOM 693 CA ARG A 47 -1.426 5.783 -6.072 1.00 0.00 C ATOM 694 C ARG A 47 -2.607 6.582 -6.616 1.00 0.00 C ATOM 695 O ARG A 47 -3.730 6.458 -6.128 1.00 0.00 O ATOM 696 CB ARG A 47 -1.877 4.930 -4.885 1.00 0.00 C ATOM 697 CG ARG A 47 -0.727 4.367 -4.067 1.00 0.00 C ATOM 698 CD ARG A 47 -0.215 3.059 -4.651 1.00 0.00 C ATOM 699 NE ARG A 47 0.749 3.279 -5.725 1.00 0.00 N ATOM 700 CZ ARG A 47 1.307 2.297 -6.424 1.00 0.00 C ATOM 701 NH1 ARG A 47 0.998 1.035 -6.163 1.00 0.00 N ATOM 702 NH2 ARG A 47 2.175 2.577 -7.388 1.00 0.00 N ATOM 0 H ARG A 47 -0.255 6.808 -4.668 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.058 5.129 -6.862 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.512 5.533 -4.236 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.488 4.106 -5.252 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.085 5.093 -4.031 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.055 4.205 -3.040 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.250 2.467 -3.862 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.055 2.479 -5.032 1.00 0.00 H new ATOM 0 HE ARG A 47 1.008 4.239 -5.951 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.330 0.816 -5.424 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.428 0.283 -6.701 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.414 3.547 -7.593 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.603 1.822 -7.924 1.00 0.00 H new ATOM 716 N ILE A 48 -2.344 7.402 -7.628 1.00 0.00 N ATOM 717 CA ILE A 48 -3.384 8.220 -8.238 1.00 0.00 C ATOM 718 C ILE A 48 -3.087 8.479 -9.711 1.00 0.00 C ATOM 719 O ILE A 48 -1.954 8.780 -10.083 1.00 0.00 O ATOM 720 CB ILE A 48 -3.537 9.569 -7.512 1.00 0.00 C ATOM 721 CG1 ILE A 48 -3.694 9.348 -6.006 1.00 0.00 C ATOM 722 CG2 ILE A 48 -4.728 10.338 -8.066 1.00 0.00 C ATOM 723 CD1 ILE A 48 -5.005 8.699 -5.623 1.00 0.00 C ATOM 0 H ILE A 48 -1.419 7.517 -8.043 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.316 7.662 -8.151 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.637 10.160 -7.682 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.873 8.726 -5.651 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.610 10.308 -5.496 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.822 11.289 -7.542 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.579 10.523 -9.130 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.637 9.753 -7.923 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.046 8.573 -4.541 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.832 9.331 -5.947 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.083 7.724 -6.105 1.00 0.00 H new ATOM 735 N GLY A 49 -4.115 8.362 -10.546 1.00 0.00 N ATOM 736 CA GLY A 49 -3.944 8.589 -11.969 1.00 0.00 C ATOM 737 C GLY A 49 -4.949 9.579 -12.524 1.00 0.00 C ATOM 738 O GLY A 49 -5.697 10.217 -11.783 1.00 0.00 O ATOM 0 H GLY A 49 -5.063 8.114 -10.262 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.935 8.957 -12.156 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.041 7.642 -12.499 1.00 0.00 H new ATOM 742 N PRO A 50 -4.974 9.720 -13.857 1.00 0.00 N ATOM 743 CA PRO A 50 -5.889 10.639 -14.540 1.00 0.00 C ATOM 744 C PRO A 50 -7.340 10.176 -14.464 1.00 0.00 C ATOM 745 O PRO A 50 -8.263 10.945 -14.729 1.00 0.00 O ATOM 746 CB PRO A 50 -5.396 10.619 -15.989 1.00 0.00 C ATOM 747 CG PRO A 50 -4.720 9.301 -16.141 1.00 0.00 C ATOM 748 CD PRO A 50 -4.110 8.991 -14.802 1.00 0.00 C ATOM 0 HA PRO A 50 -5.884 11.631 -14.087 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -6.224 10.722 -16.690 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.708 11.442 -16.184 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -5.432 8.529 -16.434 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.956 9.341 -16.918 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -4.107 7.920 -14.600 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -3.075 9.329 -14.744 1.00 0.00 H new ATOM 756 N LYS A 51 -7.534 8.913 -14.099 1.00 0.00 N ATOM 757 CA LYS A 51 -8.873 8.346 -13.986 1.00 0.00 C ATOM 758 C LYS A 51 -9.509 8.716 -12.650 1.00 0.00 C ATOM 759 O LYS A 51 -10.479 9.473 -12.600 1.00 0.00 O ATOM 760 CB LYS A 51 -8.818 6.824 -14.133 1.00 0.00 C ATOM 761 CG LYS A 51 -10.133 6.134 -13.811 1.00 0.00 C ATOM 762 CD LYS A 51 -11.216 6.504 -14.811 1.00 0.00 C ATOM 763 CE LYS A 51 -11.235 5.546 -15.992 1.00 0.00 C ATOM 764 NZ LYS A 51 -11.735 6.203 -17.231 1.00 0.00 N ATOM 0 H LYS A 51 -6.781 8.262 -13.876 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.485 8.760 -14.787 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.528 6.576 -15.154 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.041 6.432 -13.477 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.988 5.054 -13.813 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.454 6.411 -12.807 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.188 6.494 -14.317 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.051 7.520 -15.168 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.229 5.163 -16.165 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.866 4.690 -15.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.733 5.517 -18.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.704 6.547 -17.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.118 7.005 -17.472 1.00 0.00 H new ATOM 778 N LYS A 52 -8.957 8.178 -11.568 1.00 0.00 N ATOM 779 CA LYS A 52 -9.468 8.453 -10.230 1.00 0.00 C ATOM 780 C LYS A 52 -9.657 9.952 -10.017 1.00 0.00 C ATOM 781 O LYS A 52 -10.659 10.386 -9.450 1.00 0.00 O ATOM 782 CB LYS A 52 -8.514 7.894 -9.172 1.00 0.00 C ATOM 783 CG LYS A 52 -8.679 6.403 -8.932 1.00 0.00 C ATOM 784 CD LYS A 52 -7.522 5.837 -8.126 1.00 0.00 C ATOM 785 CE LYS A 52 -7.565 4.317 -8.081 1.00 0.00 C ATOM 786 NZ LYS A 52 -7.247 3.714 -9.405 1.00 0.00 N ATOM 0 H LYS A 52 -8.155 7.548 -11.591 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.437 7.964 -10.131 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.487 8.093 -9.479 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.674 8.425 -8.233 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.615 6.220 -8.405 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.745 5.885 -9.889 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.578 6.163 -8.564 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.556 6.233 -7.111 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.855 3.955 -7.337 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.555 3.991 -7.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.025 3.089 -9.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.126 4.469 -10.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.368 3.163 -9.333 1.00 0.00 H new ATOM 800 N ALA A 53 -8.689 10.737 -10.478 1.00 0.00 N ATOM 801 CA ALA A 53 -8.751 12.187 -10.341 1.00 0.00 C ATOM 802 C ALA A 53 -10.091 12.727 -10.829 1.00 0.00 C ATOM 803 O ALA A 53 -10.715 13.555 -10.166 1.00 0.00 O ATOM 804 CB ALA A 53 -7.607 12.839 -11.104 1.00 0.00 C ATOM 0 H ALA A 53 -7.852 10.393 -10.950 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.653 12.432 -9.283 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.666 13.922 -10.993 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.656 12.485 -10.707 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.679 12.578 -12.160 1.00 0.00 H new ATOM 810 N GLN A 54 -10.526 12.255 -11.993 1.00 0.00 N ATOM 811 CA GLN A 54 -11.791 12.693 -12.570 1.00 0.00 C ATOM 812 C GLN A 54 -12.971 12.130 -11.784 1.00 0.00 C ATOM 813 O GLN A 54 -14.034 12.750 -11.711 1.00 0.00 O ATOM 814 CB GLN A 54 -11.886 12.260 -14.034 1.00 0.00 C ATOM 815 CG GLN A 54 -11.015 13.083 -14.969 1.00 0.00 C ATOM 816 CD GLN A 54 -11.717 14.326 -15.478 1.00 0.00 C ATOM 817 OE1 GLN A 54 -12.220 14.352 -16.602 1.00 0.00 O ATOM 818 NE2 GLN A 54 -11.757 15.364 -14.652 1.00 0.00 N ATOM 0 H GLN A 54 -10.021 11.569 -12.555 1.00 0.00 H new ATOM 0 HA GLN A 54 -11.828 13.781 -12.517 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.600 11.211 -14.113 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.924 12.333 -14.359 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -10.103 13.373 -14.448 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.715 12.467 -15.817 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -11.327 15.298 -13.729 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -12.218 16.227 -14.940 1.00 0.00 H new ATOM 827 N LEU A 55 -12.778 10.954 -11.198 1.00 0.00 N ATOM 828 CA LEU A 55 -13.827 10.307 -10.417 1.00 0.00 C ATOM 829 C LEU A 55 -14.051 11.037 -9.096 1.00 0.00 C ATOM 830 O LEU A 55 -15.187 11.189 -8.644 1.00 0.00 O ATOM 831 CB LEU A 55 -13.464 8.846 -10.150 1.00 0.00 C ATOM 832 CG LEU A 55 -13.374 7.941 -11.379 1.00 0.00 C ATOM 833 CD1 LEU A 55 -12.788 6.588 -11.005 1.00 0.00 C ATOM 834 CD2 LEU A 55 -14.745 7.772 -12.018 1.00 0.00 C ATOM 0 H LEU A 55 -11.905 10.429 -11.249 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.751 10.345 -10.994 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.505 8.820 -9.633 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -14.205 8.427 -9.469 1.00 0.00 H new ATOM 0 HG LEU A 55 -12.712 8.412 -12.105 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -12.732 5.958 -11.893 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.788 6.726 -10.594 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.424 6.110 -10.260 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -14.662 7.125 -12.891 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.429 7.324 -11.298 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -15.127 8.746 -12.323 1.00 0.00 H new ATOM 846 N ILE A 56 -12.962 11.488 -8.484 1.00 0.00 N ATOM 847 CA ILE A 56 -13.040 12.205 -7.217 1.00 0.00 C ATOM 848 C ILE A 56 -13.413 13.667 -7.435 1.00 0.00 C ATOM 849 O ILE A 56 -14.354 14.177 -6.825 1.00 0.00 O ATOM 850 CB ILE A 56 -11.707 12.136 -6.448 1.00 0.00 C ATOM 851 CG1 ILE A 56 -11.165 10.706 -6.452 1.00 0.00 C ATOM 852 CG2 ILE A 56 -11.892 12.634 -5.022 1.00 0.00 C ATOM 853 CD1 ILE A 56 -9.656 10.632 -6.368 1.00 0.00 C ATOM 0 H ILE A 56 -12.015 11.370 -8.845 1.00 0.00 H new ATOM 0 HA ILE A 56 -13.816 11.719 -6.626 1.00 0.00 H new ATOM 0 HB ILE A 56 -10.983 12.781 -6.946 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -11.595 10.161 -5.612 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -11.495 10.203 -7.361 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -10.942 12.579 -4.491 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -12.239 13.667 -5.040 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -12.628 12.013 -4.512 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -9.342 9.588 -6.376 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -9.218 11.149 -7.222 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.319 11.106 -5.446 1.00 0.00 H new ATOM 865 N VAL A 57 -12.671 14.338 -8.310 1.00 0.00 N ATOM 866 CA VAL A 57 -12.925 15.741 -8.612 1.00 0.00 C ATOM 867 C VAL A 57 -14.322 15.934 -9.193 1.00 0.00 C ATOM 868 O VAL A 57 -15.083 16.785 -8.735 1.00 0.00 O ATOM 869 CB VAL A 57 -11.887 16.300 -9.603 1.00 0.00 C ATOM 870 CG1 VAL A 57 -12.132 17.779 -9.856 1.00 0.00 C ATOM 871 CG2 VAL A 57 -10.476 16.065 -9.085 1.00 0.00 C ATOM 0 H VAL A 57 -11.888 13.932 -8.823 1.00 0.00 H new ATOM 0 HA VAL A 57 -12.847 16.286 -7.671 1.00 0.00 H new ATOM 0 HB VAL A 57 -11.994 15.772 -10.551 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -11.389 18.156 -10.559 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -13.129 17.916 -10.274 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.054 18.327 -8.917 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.755 16.466 -9.798 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.353 16.565 -8.124 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.307 14.995 -8.962 1.00 0.00 H new ATOM 881 N GLY A 58 -14.651 15.137 -10.204 1.00 0.00 N ATOM 882 CA GLY A 58 -15.956 15.236 -10.831 1.00 0.00 C ATOM 883 C GLY A 58 -17.086 14.909 -9.874 1.00 0.00 C ATOM 884 O GLY A 58 -18.243 15.239 -10.135 1.00 0.00 O ATOM 0 H GLY A 58 -14.038 14.425 -10.600 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -16.093 16.245 -11.219 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -15.998 14.558 -11.683 1.00 0.00 H new ATOM 888 N TRP A 59 -16.750 14.259 -8.766 1.00 0.00 N ATOM 889 CA TRP A 59 -17.746 13.887 -7.768 1.00 0.00 C ATOM 890 C TRP A 59 -18.009 15.039 -6.804 1.00 0.00 C ATOM 891 O TRP A 59 -19.154 15.448 -6.609 1.00 0.00 O ATOM 892 CB TRP A 59 -17.284 12.652 -6.992 1.00 0.00 C ATOM 893 CG TRP A 59 -18.127 12.356 -5.789 1.00 0.00 C ATOM 894 CD1 TRP A 59 -18.255 13.127 -4.668 1.00 0.00 C ATOM 895 CD2 TRP A 59 -18.957 11.207 -5.585 1.00 0.00 C ATOM 896 NE1 TRP A 59 -19.115 12.526 -3.781 1.00 0.00 N ATOM 897 CE2 TRP A 59 -19.560 11.348 -4.320 1.00 0.00 C ATOM 898 CE3 TRP A 59 -19.251 10.075 -6.350 1.00 0.00 C ATOM 899 CZ2 TRP A 59 -20.437 10.397 -3.804 1.00 0.00 C ATOM 900 CZ3 TRP A 59 -20.121 9.133 -5.836 1.00 0.00 C ATOM 901 CH2 TRP A 59 -20.707 9.299 -4.574 1.00 0.00 C ATOM 0 H TRP A 59 -15.797 13.979 -8.536 1.00 0.00 H new ATOM 0 HA TRP A 59 -18.675 13.654 -8.288 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -17.297 11.788 -7.657 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -16.251 12.796 -6.676 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -17.754 14.070 -4.504 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -19.379 12.897 -2.868 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -18.806 9.939 -7.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -20.888 10.522 -2.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -20.354 8.253 -6.417 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -21.385 8.545 -4.202 1.00 0.00 H new ATOM 912 N ARG A 60 -16.942 15.559 -6.206 1.00 0.00 N ATOM 913 CA ARG A 60 -17.059 16.664 -5.262 1.00 0.00 C ATOM 914 C ARG A 60 -17.486 17.944 -5.974 1.00 0.00 C ATOM 915 O ARG A 60 -18.033 18.856 -5.355 1.00 0.00 O ATOM 916 CB ARG A 60 -15.729 16.888 -4.539 1.00 0.00 C ATOM 917 CG ARG A 60 -14.560 17.137 -5.479 1.00 0.00 C ATOM 918 CD ARG A 60 -13.386 17.771 -4.750 1.00 0.00 C ATOM 919 NE ARG A 60 -13.467 19.229 -4.745 1.00 0.00 N ATOM 920 CZ ARG A 60 -13.434 19.971 -5.847 1.00 0.00 C ATOM 921 NH1 ARG A 60 -13.323 19.394 -7.035 1.00 0.00 N ATOM 922 NH2 ARG A 60 -13.513 21.293 -5.760 1.00 0.00 N ATOM 0 H ARG A 60 -15.988 15.233 -6.358 1.00 0.00 H new ATOM 0 HA ARG A 60 -17.823 16.404 -4.529 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -15.830 17.739 -3.865 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -15.509 16.017 -3.922 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -14.245 16.195 -5.928 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -14.879 17.788 -6.293 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.357 17.406 -3.723 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -12.455 17.461 -5.225 1.00 0.00 H new ATOM 0 HE ARG A 60 -13.554 19.704 -3.846 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.263 18.378 -7.105 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.298 19.966 -7.879 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.599 21.740 -4.847 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.488 21.862 -6.606 1.00 0.00 H new ATOM 936 N GLU A 61 -17.230 18.004 -7.277 1.00 0.00 N ATOM 937 CA GLU A 61 -17.587 19.173 -8.072 1.00 0.00 C ATOM 938 C GLU A 61 -19.073 19.491 -7.936 1.00 0.00 C ATOM 939 O GLU A 61 -19.462 20.652 -7.807 1.00 0.00 O ATOM 940 CB GLU A 61 -17.236 18.944 -9.543 1.00 0.00 C ATOM 941 CG GLU A 61 -15.828 19.382 -9.909 1.00 0.00 C ATOM 942 CD GLU A 61 -15.764 20.832 -10.349 1.00 0.00 C ATOM 943 OE1 GLU A 61 -15.900 21.722 -9.483 1.00 0.00 O ATOM 944 OE2 GLU A 61 -15.578 21.076 -11.559 1.00 0.00 O ATOM 0 H GLU A 61 -16.777 17.257 -7.804 1.00 0.00 H new ATOM 0 HA GLU A 61 -17.016 20.023 -7.698 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -17.349 17.885 -9.774 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -17.949 19.484 -10.166 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -15.172 19.237 -9.051 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -15.450 18.746 -10.710 1.00 0.00 H new ATOM 951 N LEU A 62 -19.899 18.451 -7.966 1.00 0.00 N ATOM 952 CA LEU A 62 -21.344 18.618 -7.846 1.00 0.00 C ATOM 953 C LEU A 62 -21.806 18.357 -6.416 1.00 0.00 C ATOM 954 O LEU A 62 -22.385 19.231 -5.771 1.00 0.00 O ATOM 955 CB LEU A 62 -22.067 17.674 -8.808 1.00 0.00 C ATOM 956 CG LEU A 62 -22.120 18.117 -10.271 1.00 0.00 C ATOM 957 CD1 LEU A 62 -22.258 16.912 -11.189 1.00 0.00 C ATOM 958 CD2 LEU A 62 -23.268 19.092 -10.491 1.00 0.00 C ATOM 0 H LEU A 62 -19.594 17.484 -8.072 1.00 0.00 H new ATOM 0 HA LEU A 62 -21.589 19.648 -8.104 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -21.582 16.699 -8.762 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -23.089 17.539 -8.453 1.00 0.00 H new ATOM 0 HG LEU A 62 -21.186 18.625 -10.511 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -22.294 17.247 -12.226 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -21.403 16.250 -11.051 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -23.176 16.375 -10.949 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -23.291 19.397 -11.537 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -24.210 18.609 -10.233 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -23.126 19.970 -9.860 1.00 0.00 H new ATOM 970 N HIS A 63 -21.543 17.150 -5.926 1.00 0.00 N ATOM 971 CA HIS A 63 -21.929 16.774 -4.570 1.00 0.00 C ATOM 972 C HIS A 63 -21.440 17.808 -3.560 1.00 0.00 C ATOM 973 O HIS A 63 -22.229 18.374 -2.804 1.00 0.00 O ATOM 974 CB HIS A 63 -21.367 15.396 -4.220 1.00 0.00 C ATOM 975 CG HIS A 63 -22.149 14.263 -4.809 1.00 0.00 C ATOM 976 ND1 HIS A 63 -22.970 13.446 -4.061 1.00 0.00 N ATOM 977 CD2 HIS A 63 -22.233 13.814 -6.084 1.00 0.00 C ATOM 978 CE1 HIS A 63 -23.524 12.542 -4.849 1.00 0.00 C ATOM 979 NE2 HIS A 63 -23.094 12.744 -6.082 1.00 0.00 N ATOM 0 H HIS A 63 -21.064 16.415 -6.447 1.00 0.00 H new ATOM 0 HA HIS A 63 -23.017 16.735 -4.526 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -20.336 15.334 -4.568 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -21.345 15.286 -3.136 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -21.719 14.221 -6.942 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -24.211 11.769 -4.538 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -23.359 12.194 -6.900 1.00 0.00 H new ATOM 988 N GLY A 64 -20.132 18.049 -3.553 1.00 0.00 N ATOM 989 CA GLY A 64 -19.560 19.013 -2.631 1.00 0.00 C ATOM 990 C GLY A 64 -18.301 18.499 -1.962 1.00 0.00 C ATOM 991 O GLY A 64 -17.626 17.602 -2.466 1.00 0.00 O ATOM 0 H GLY A 64 -19.459 17.594 -4.169 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -19.332 19.934 -3.168 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -20.297 19.263 -1.868 1.00 0.00 H new ATOM 995 N PRO A 65 -17.968 19.077 -0.798 1.00 0.00 N ATOM 996 CA PRO A 65 -16.778 18.688 -0.034 1.00 0.00 C ATOM 997 C PRO A 65 -16.913 17.299 0.581 1.00 0.00 C ATOM 998 O PRO A 65 -18.003 16.728 0.618 1.00 0.00 O ATOM 999 CB PRO A 65 -16.698 19.753 1.063 1.00 0.00 C ATOM 1000 CG PRO A 65 -18.098 20.235 1.226 1.00 0.00 C ATOM 1001 CD PRO A 65 -18.726 20.153 -0.138 1.00 0.00 C ATOM 0 HA PRO A 65 -15.889 18.635 -0.662 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.312 19.335 1.993 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -16.030 20.566 0.778 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -18.641 19.620 1.943 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -18.117 21.257 1.604 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -19.789 19.917 -0.078 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -18.639 21.096 -0.678 1.00 0.00 H new ATOM 1009 N PHE A 66 -15.798 16.760 1.064 1.00 0.00 N ATOM 1010 CA PHE A 66 -15.791 15.437 1.677 1.00 0.00 C ATOM 1011 C PHE A 66 -15.589 15.538 3.186 1.00 0.00 C ATOM 1012 O PHE A 66 -14.595 16.094 3.654 1.00 0.00 O ATOM 1013 CB PHE A 66 -14.690 14.572 1.061 1.00 0.00 C ATOM 1014 CG PHE A 66 -14.910 14.269 -0.394 1.00 0.00 C ATOM 1015 CD1 PHE A 66 -16.030 13.566 -0.808 1.00 0.00 C ATOM 1016 CD2 PHE A 66 -13.997 14.688 -1.348 1.00 0.00 C ATOM 1017 CE1 PHE A 66 -16.234 13.285 -2.145 1.00 0.00 C ATOM 1018 CE2 PHE A 66 -14.195 14.411 -2.688 1.00 0.00 C ATOM 1019 CZ PHE A 66 -15.316 13.709 -3.087 1.00 0.00 C ATOM 0 H PHE A 66 -14.888 17.219 1.043 1.00 0.00 H new ATOM 0 HA PHE A 66 -16.758 14.971 1.488 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -13.732 15.079 1.178 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -14.624 13.635 1.613 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -16.752 13.234 -0.077 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -13.120 15.238 -1.041 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -17.110 12.734 -2.454 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -13.475 14.743 -3.421 1.00 0.00 H new ATOM 0 HZ PHE A 66 -15.475 13.492 -4.133 1.00 0.00 H new ATOM 1029 N SER A 67 -16.540 14.998 3.942 1.00 0.00 N ATOM 1030 CA SER A 67 -16.470 15.031 5.398 1.00 0.00 C ATOM 1031 C SER A 67 -15.240 14.279 5.900 1.00 0.00 C ATOM 1032 O SER A 67 -14.704 14.586 6.964 1.00 0.00 O ATOM 1033 CB SER A 67 -17.736 14.423 6.005 1.00 0.00 C ATOM 1034 OG SER A 67 -17.907 14.838 7.348 1.00 0.00 O ATOM 0 H SER A 67 -17.368 14.533 3.570 1.00 0.00 H new ATOM 0 HA SER A 67 -16.390 16.072 5.710 1.00 0.00 H new ATOM 0 HB2 SER A 67 -18.604 14.719 5.416 1.00 0.00 H new ATOM 0 HB3 SER A 67 -17.678 13.335 5.962 1.00 0.00 H new ATOM 0 HG SER A 67 -18.724 14.437 7.713 1.00 0.00 H new ATOM 1040 N GLN A 68 -14.801 13.293 5.124 1.00 0.00 N ATOM 1041 CA GLN A 68 -13.635 12.496 5.490 1.00 0.00 C ATOM 1042 C GLN A 68 -13.105 11.724 4.287 1.00 0.00 C ATOM 1043 O GLN A 68 -13.860 11.367 3.383 1.00 0.00 O ATOM 1044 CB GLN A 68 -13.988 11.526 6.618 1.00 0.00 C ATOM 1045 CG GLN A 68 -14.973 10.445 6.205 1.00 0.00 C ATOM 1046 CD GLN A 68 -16.414 10.911 6.274 1.00 0.00 C ATOM 1047 OE1 GLN A 68 -17.055 11.139 5.247 1.00 0.00 O ATOM 1048 NE2 GLN A 68 -16.933 11.054 7.488 1.00 0.00 N ATOM 0 H GLN A 68 -15.234 13.027 4.240 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.855 13.175 5.835 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -13.074 11.054 6.979 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -14.408 12.089 7.452 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -14.748 10.123 5.188 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -14.845 9.576 6.851 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -16.366 10.854 8.312 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -17.899 11.364 7.597 1.00 0.00 H new ATOM 1057 N VAL A 69 -11.800 11.470 4.281 1.00 0.00 N ATOM 1058 CA VAL A 69 -11.168 10.739 3.189 1.00 0.00 C ATOM 1059 C VAL A 69 -11.885 9.421 2.922 1.00 0.00 C ATOM 1060 O VAL A 69 -11.868 8.909 1.803 1.00 0.00 O ATOM 1061 CB VAL A 69 -9.685 10.452 3.491 1.00 0.00 C ATOM 1062 CG1 VAL A 69 -8.914 10.213 2.201 1.00 0.00 C ATOM 1063 CG2 VAL A 69 -9.071 11.596 4.283 1.00 0.00 C ATOM 0 H VAL A 69 -11.160 11.760 5.020 1.00 0.00 H new ATOM 0 HA VAL A 69 -11.236 11.371 2.304 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.624 9.548 4.096 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.868 10.012 2.434 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.340 9.358 1.676 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.981 11.098 1.568 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.023 11.376 4.487 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.142 12.518 3.706 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.607 11.715 5.225 1.00 0.00 H new ATOM 1073 N GLU A 70 -12.516 8.876 3.958 1.00 0.00 N ATOM 1074 CA GLU A 70 -13.240 7.616 3.835 1.00 0.00 C ATOM 1075 C GLU A 70 -14.318 7.711 2.759 1.00 0.00 C ATOM 1076 O GLU A 70 -14.629 6.727 2.088 1.00 0.00 O ATOM 1077 CB GLU A 70 -13.873 7.233 5.174 1.00 0.00 C ATOM 1078 CG GLU A 70 -12.905 6.565 6.136 1.00 0.00 C ATOM 1079 CD GLU A 70 -12.191 5.379 5.516 1.00 0.00 C ATOM 1080 OE1 GLU A 70 -12.868 4.382 5.190 1.00 0.00 O ATOM 1081 OE2 GLU A 70 -10.954 5.449 5.356 1.00 0.00 O ATOM 0 H GLU A 70 -12.540 9.287 4.891 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.528 6.844 3.544 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -14.279 8.129 5.644 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.712 6.561 4.991 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.167 7.295 6.469 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.448 6.235 7.021 1.00 0.00 H new ATOM 1088 N ASP A 71 -14.884 8.903 2.601 1.00 0.00 N ATOM 1089 CA ASP A 71 -15.927 9.128 1.606 1.00 0.00 C ATOM 1090 C ASP A 71 -15.537 8.519 0.263 1.00 0.00 C ATOM 1091 O ASP A 71 -16.389 8.026 -0.478 1.00 0.00 O ATOM 1092 CB ASP A 71 -16.192 10.625 1.444 1.00 0.00 C ATOM 1093 CG ASP A 71 -17.398 10.908 0.570 1.00 0.00 C ATOM 1094 OD1 ASP A 71 -17.293 10.727 -0.661 1.00 0.00 O ATOM 1095 OD2 ASP A 71 -18.445 11.312 1.117 1.00 0.00 O ATOM 0 H ASP A 71 -14.638 9.728 3.149 1.00 0.00 H new ATOM 0 HA ASP A 71 -16.838 8.641 1.954 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -16.346 11.072 2.426 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -15.313 11.102 1.011 1.00 0.00 H new ATOM 1100 N LEU A 72 -14.246 8.558 -0.046 1.00 0.00 N ATOM 1101 CA LEU A 72 -13.743 8.012 -1.302 1.00 0.00 C ATOM 1102 C LEU A 72 -14.437 6.696 -1.640 1.00 0.00 C ATOM 1103 O LEU A 72 -14.840 6.472 -2.781 1.00 0.00 O ATOM 1104 CB LEU A 72 -12.230 7.797 -1.218 1.00 0.00 C ATOM 1105 CG LEU A 72 -11.366 9.051 -1.345 1.00 0.00 C ATOM 1106 CD1 LEU A 72 -9.894 8.705 -1.181 1.00 0.00 C ATOM 1107 CD2 LEU A 72 -11.609 9.733 -2.684 1.00 0.00 C ATOM 0 H LEU A 72 -13.528 8.962 0.556 1.00 0.00 H new ATOM 0 HA LEU A 72 -13.959 8.729 -2.094 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -12.004 7.319 -0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.938 7.098 -2.002 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.646 9.743 -0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.295 9.611 -1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.732 8.262 -0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.599 7.994 -1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.985 10.624 -2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.358 9.047 -3.493 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.658 10.017 -2.762 1.00 0.00 H new ATOM 1119 N GLU A 73 -14.575 5.831 -0.639 1.00 0.00 N ATOM 1120 CA GLU A 73 -15.222 4.539 -0.832 1.00 0.00 C ATOM 1121 C GLU A 73 -16.491 4.685 -1.667 1.00 0.00 C ATOM 1122 O GLU A 73 -16.705 3.941 -2.624 1.00 0.00 O ATOM 1123 CB GLU A 73 -15.558 3.906 0.520 1.00 0.00 C ATOM 1124 CG GLU A 73 -16.229 2.547 0.406 1.00 0.00 C ATOM 1125 CD GLU A 73 -16.927 2.133 1.687 1.00 0.00 C ATOM 1126 OE1 GLU A 73 -17.667 2.962 2.255 1.00 0.00 O ATOM 1127 OE2 GLU A 73 -16.734 0.977 2.120 1.00 0.00 O ATOM 0 H GLU A 73 -14.248 6.002 0.312 1.00 0.00 H new ATOM 0 HA GLU A 73 -14.529 3.890 -1.367 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.641 3.802 1.101 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -16.212 4.579 1.074 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -16.954 2.571 -0.407 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.482 1.798 0.145 1.00 0.00 H new ATOM 1134 N ARG A 74 -17.329 5.647 -1.296 1.00 0.00 N ATOM 1135 CA ARG A 74 -18.577 5.890 -2.009 1.00 0.00 C ATOM 1136 C ARG A 74 -18.315 6.165 -3.486 1.00 0.00 C ATOM 1137 O ARG A 74 -19.021 5.658 -4.358 1.00 0.00 O ATOM 1138 CB ARG A 74 -19.325 7.069 -1.384 1.00 0.00 C ATOM 1139 CG ARG A 74 -19.726 6.838 0.064 1.00 0.00 C ATOM 1140 CD ARG A 74 -20.993 7.600 0.419 1.00 0.00 C ATOM 1141 NE ARG A 74 -22.197 6.888 -0.003 1.00 0.00 N ATOM 1142 CZ ARG A 74 -23.400 7.110 0.514 1.00 0.00 C ATOM 1143 NH1 ARG A 74 -23.560 8.019 1.465 1.00 0.00 N ATOM 1144 NH2 ARG A 74 -24.448 6.421 0.078 1.00 0.00 N ATOM 0 H ARG A 74 -17.166 6.271 -0.506 1.00 0.00 H new ATOM 0 HA ARG A 74 -19.193 4.994 -1.928 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -18.697 7.958 -1.441 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -20.220 7.273 -1.972 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -19.881 5.773 0.234 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -18.915 7.151 0.722 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -21.028 7.764 1.496 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -20.969 8.583 -0.052 1.00 0.00 H new ATOM 0 HE ARG A 74 -22.109 6.182 -0.734 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -22.758 8.551 1.802 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -24.485 8.187 1.860 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -24.329 5.721 -0.654 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -25.372 6.592 0.475 1.00 0.00 H new ATOM 1158 N VAL A 75 -17.294 6.972 -3.761 1.00 0.00 N ATOM 1159 CA VAL A 75 -16.938 7.314 -5.132 1.00 0.00 C ATOM 1160 C VAL A 75 -16.818 6.065 -5.998 1.00 0.00 C ATOM 1161 O VAL A 75 -15.974 5.205 -5.749 1.00 0.00 O ATOM 1162 CB VAL A 75 -15.611 8.094 -5.190 1.00 0.00 C ATOM 1163 CG1 VAL A 75 -15.227 8.390 -6.631 1.00 0.00 C ATOM 1164 CG2 VAL A 75 -15.713 9.379 -4.382 1.00 0.00 C ATOM 0 H VAL A 75 -16.699 7.401 -3.052 1.00 0.00 H new ATOM 0 HA VAL A 75 -17.739 7.944 -5.518 1.00 0.00 H new ATOM 0 HB VAL A 75 -14.828 7.476 -4.751 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -14.287 8.942 -6.651 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -15.110 7.453 -7.176 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -16.008 8.988 -7.100 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.767 9.918 -4.434 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -16.508 10.003 -4.790 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -15.937 9.138 -3.343 1.00 0.00 H new ATOM 1174 N GLU A 76 -17.669 5.972 -7.015 1.00 0.00 N ATOM 1175 CA GLU A 76 -17.658 4.826 -7.917 1.00 0.00 C ATOM 1176 C GLU A 76 -16.258 4.585 -8.473 1.00 0.00 C ATOM 1177 O GLU A 76 -15.467 5.516 -8.619 1.00 0.00 O ATOM 1178 CB GLU A 76 -18.645 5.045 -9.066 1.00 0.00 C ATOM 1179 CG GLU A 76 -20.088 4.752 -8.693 1.00 0.00 C ATOM 1180 CD GLU A 76 -20.442 3.284 -8.839 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -19.695 2.560 -9.530 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -21.466 2.860 -8.263 1.00 0.00 O ATOM 0 H GLU A 76 -18.374 6.676 -7.235 1.00 0.00 H new ATOM 0 HA GLU A 76 -17.961 3.946 -7.350 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -18.569 6.078 -9.407 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -18.359 4.410 -9.905 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -20.264 5.064 -7.663 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -20.750 5.346 -9.323 1.00 0.00 H new ATOM 1189 N GLY A 77 -15.958 3.326 -8.781 1.00 0.00 N ATOM 1190 CA GLY A 77 -14.654 2.984 -9.316 1.00 0.00 C ATOM 1191 C GLY A 77 -13.615 2.786 -8.230 1.00 0.00 C ATOM 1192 O GLY A 77 -12.781 1.884 -8.317 1.00 0.00 O ATOM 0 H GLY A 77 -16.595 2.538 -8.669 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.735 2.072 -9.907 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -14.323 3.773 -9.991 1.00 0.00 H new ATOM 1196 N ILE A 78 -13.664 3.631 -7.206 1.00 0.00 N ATOM 1197 CA ILE A 78 -12.719 3.544 -6.099 1.00 0.00 C ATOM 1198 C ILE A 78 -13.322 2.788 -4.920 1.00 0.00 C ATOM 1199 O ILE A 78 -13.979 3.377 -4.060 1.00 0.00 O ATOM 1200 CB ILE A 78 -12.276 4.941 -5.626 1.00 0.00 C ATOM 1201 CG1 ILE A 78 -11.621 5.708 -6.777 1.00 0.00 C ATOM 1202 CG2 ILE A 78 -11.320 4.823 -4.449 1.00 0.00 C ATOM 1203 CD1 ILE A 78 -11.370 7.167 -6.464 1.00 0.00 C ATOM 0 H ILE A 78 -14.347 4.383 -7.120 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.849 3.002 -6.469 1.00 0.00 H new ATOM 0 HB ILE A 78 -13.156 5.495 -5.299 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -10.674 5.230 -7.029 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -12.258 5.638 -7.659 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.016 5.819 -4.126 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.818 4.311 -3.626 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.440 4.255 -4.751 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -10.904 7.649 -7.324 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.317 7.659 -6.241 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.708 7.245 -5.602 1.00 0.00 H new ATOM 1215 N THR A 79 -13.093 1.479 -4.883 1.00 0.00 N ATOM 1216 CA THR A 79 -13.613 0.642 -3.809 1.00 0.00 C ATOM 1217 C THR A 79 -12.978 1.006 -2.472 1.00 0.00 C ATOM 1218 O THR A 79 -11.865 1.528 -2.424 1.00 0.00 O ATOM 1219 CB THR A 79 -13.366 -0.852 -4.092 1.00 0.00 C ATOM 1220 OG1 THR A 79 -13.948 -1.650 -3.055 1.00 0.00 O ATOM 1221 CG2 THR A 79 -11.876 -1.146 -4.188 1.00 0.00 C ATOM 0 H THR A 79 -12.551 0.976 -5.585 1.00 0.00 H new ATOM 0 HA THR A 79 -14.687 0.822 -3.759 1.00 0.00 H new ATOM 0 HB THR A 79 -13.832 -1.100 -5.046 1.00 0.00 H new ATOM 0 HG1 THR A 79 -13.788 -2.598 -3.243 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.727 -2.207 -4.388 1.00 0.00 H new ATOM 0 HG22 THR A 79 -11.441 -0.559 -4.997 1.00 0.00 H new ATOM 0 HG23 THR A 79 -11.392 -0.883 -3.248 1.00 0.00 H new ATOM 1229 N GLY A 80 -13.694 0.727 -1.387 1.00 0.00 N ATOM 1230 CA GLY A 80 -13.183 1.032 -0.063 1.00 0.00 C ATOM 1231 C GLY A 80 -11.769 0.527 0.144 1.00 0.00 C ATOM 1232 O GLY A 80 -11.051 1.008 1.021 1.00 0.00 O ATOM 0 H GLY A 80 -14.618 0.296 -1.401 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.207 2.111 0.092 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.838 0.588 0.687 1.00 0.00 H new ATOM 1236 N LYS A 81 -11.366 -0.448 -0.665 1.00 0.00 N ATOM 1237 CA LYS A 81 -10.029 -1.020 -0.568 1.00 0.00 C ATOM 1238 C LYS A 81 -9.039 -0.238 -1.425 1.00 0.00 C ATOM 1239 O LYS A 81 -7.868 -0.103 -1.069 1.00 0.00 O ATOM 1240 CB LYS A 81 -10.047 -2.488 -1.001 1.00 0.00 C ATOM 1241 CG LYS A 81 -8.772 -3.239 -0.658 1.00 0.00 C ATOM 1242 CD LYS A 81 -8.826 -3.816 0.746 1.00 0.00 C ATOM 1243 CE LYS A 81 -9.675 -5.077 0.799 1.00 0.00 C ATOM 1244 NZ LYS A 81 -9.646 -5.710 2.147 1.00 0.00 N ATOM 0 H LYS A 81 -11.948 -0.858 -1.396 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.709 -0.959 0.472 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.892 -2.988 -0.527 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -10.210 -2.539 -2.078 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.618 -4.043 -1.377 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.918 -2.567 -0.744 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.816 -4.042 1.087 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -9.234 -3.072 1.431 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -10.704 -4.833 0.535 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -9.315 -5.789 0.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.237 -6.566 2.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -8.668 -5.966 2.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.014 -5.040 2.853 1.00 0.00 H new ATOM 1258 N GLN A 82 -9.517 0.276 -2.554 1.00 0.00 N ATOM 1259 CA GLN A 82 -8.673 1.045 -3.460 1.00 0.00 C ATOM 1260 C GLN A 82 -8.159 2.311 -2.783 1.00 0.00 C ATOM 1261 O GLN A 82 -7.038 2.750 -3.035 1.00 0.00 O ATOM 1262 CB GLN A 82 -9.448 1.409 -4.727 1.00 0.00 C ATOM 1263 CG GLN A 82 -9.400 0.334 -5.800 1.00 0.00 C ATOM 1264 CD GLN A 82 -8.103 0.351 -6.586 1.00 0.00 C ATOM 1265 OE1 GLN A 82 -7.319 -0.597 -6.534 1.00 0.00 O ATOM 1266 NE2 GLN A 82 -7.870 1.433 -7.320 1.00 0.00 N ATOM 0 H GLN A 82 -10.484 0.174 -2.863 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.817 0.427 -3.731 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -10.488 1.602 -4.464 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.046 2.336 -5.135 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -9.526 -0.644 -5.335 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.237 0.472 -6.484 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.547 2.195 -7.334 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.014 1.502 -7.870 1.00 0.00 H new ATOM 1275 N MET A 83 -8.987 2.894 -1.922 1.00 0.00 N ATOM 1276 CA MET A 83 -8.616 4.109 -1.207 1.00 0.00 C ATOM 1277 C MET A 83 -7.667 3.794 -0.055 1.00 0.00 C ATOM 1278 O MET A 83 -6.791 4.593 0.275 1.00 0.00 O ATOM 1279 CB MET A 83 -9.864 4.817 -0.677 1.00 0.00 C ATOM 1280 CG MET A 83 -10.686 3.966 0.278 1.00 0.00 C ATOM 1281 SD MET A 83 -10.124 4.100 1.986 1.00 0.00 S ATOM 1282 CE MET A 83 -10.320 5.857 2.270 1.00 0.00 C ATOM 0 H MET A 83 -9.920 2.544 -1.703 1.00 0.00 H new ATOM 0 HA MET A 83 -8.103 4.769 -1.906 1.00 0.00 H new ATOM 0 HB2 MET A 83 -9.564 5.733 -0.168 1.00 0.00 H new ATOM 0 HB3 MET A 83 -10.490 5.111 -1.519 1.00 0.00 H new ATOM 0 HG2 MET A 83 -11.732 4.267 0.219 1.00 0.00 H new ATOM 0 HG3 MET A 83 -10.637 2.923 -0.036 1.00 0.00 H new ATOM 0 HE1 MET A 83 -10.326 6.054 3.342 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.493 6.395 1.807 1.00 0.00 H new ATOM 0 HE3 MET A 83 -11.261 6.193 1.834 1.00 0.00 H new ATOM 1292 N GLU A 84 -7.849 2.626 0.553 1.00 0.00 N ATOM 1293 CA GLU A 84 -7.010 2.208 1.670 1.00 0.00 C ATOM 1294 C GLU A 84 -5.536 2.216 1.274 1.00 0.00 C ATOM 1295 O GLU A 84 -4.720 2.901 1.891 1.00 0.00 O ATOM 1296 CB GLU A 84 -7.414 0.811 2.145 1.00 0.00 C ATOM 1297 CG GLU A 84 -8.532 0.819 3.174 1.00 0.00 C ATOM 1298 CD GLU A 84 -8.825 -0.562 3.727 1.00 0.00 C ATOM 1299 OE1 GLU A 84 -7.869 -1.253 4.137 1.00 0.00 O ATOM 1300 OE2 GLU A 84 -10.012 -0.952 3.750 1.00 0.00 O ATOM 0 H GLU A 84 -8.569 1.953 0.291 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.154 2.917 2.486 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.728 0.220 1.284 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.542 0.315 2.572 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.262 1.485 3.994 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.436 1.224 2.720 1.00 0.00 H new ATOM 1307 N SER A 85 -5.202 1.448 0.242 1.00 0.00 N ATOM 1308 CA SER A 85 -3.826 1.362 -0.234 1.00 0.00 C ATOM 1309 C SER A 85 -3.285 2.745 -0.584 1.00 0.00 C ATOM 1310 O SER A 85 -2.128 3.060 -0.306 1.00 0.00 O ATOM 1311 CB SER A 85 -3.742 0.445 -1.455 1.00 0.00 C ATOM 1312 OG SER A 85 -2.406 0.045 -1.702 1.00 0.00 O ATOM 0 H SER A 85 -5.865 0.876 -0.281 1.00 0.00 H new ATOM 0 HA SER A 85 -3.216 0.944 0.567 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.365 -0.435 -1.296 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.138 0.962 -2.329 1.00 0.00 H new ATOM 0 HG SER A 85 -2.380 -0.542 -2.487 1.00 0.00 H new ATOM 1318 N PHE A 86 -4.131 3.567 -1.195 1.00 0.00 N ATOM 1319 CA PHE A 86 -3.739 4.917 -1.585 1.00 0.00 C ATOM 1320 C PHE A 86 -3.305 5.730 -0.369 1.00 0.00 C ATOM 1321 O PHE A 86 -2.185 6.239 -0.316 1.00 0.00 O ATOM 1322 CB PHE A 86 -4.897 5.621 -2.296 1.00 0.00 C ATOM 1323 CG PHE A 86 -4.897 7.112 -2.109 1.00 0.00 C ATOM 1324 CD1 PHE A 86 -3.763 7.858 -2.385 1.00 0.00 C ATOM 1325 CD2 PHE A 86 -6.031 7.766 -1.657 1.00 0.00 C ATOM 1326 CE1 PHE A 86 -3.760 9.229 -2.213 1.00 0.00 C ATOM 1327 CE2 PHE A 86 -6.035 9.137 -1.483 1.00 0.00 C ATOM 1328 CZ PHE A 86 -4.898 9.870 -1.763 1.00 0.00 C ATOM 0 H PHE A 86 -5.093 3.322 -1.431 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.894 4.840 -2.269 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -4.849 5.396 -3.362 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -5.839 5.216 -1.927 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.871 7.362 -2.739 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.923 7.198 -1.438 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.869 9.799 -2.430 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -6.926 9.635 -1.129 1.00 0.00 H new ATOM 0 HZ PHE A 86 -4.899 10.942 -1.630 1.00 0.00 H new ATOM 1338 N LEU A 87 -4.199 5.847 0.607 1.00 0.00 N ATOM 1339 CA LEU A 87 -3.910 6.598 1.823 1.00 0.00 C ATOM 1340 C LEU A 87 -2.486 6.333 2.302 1.00 0.00 C ATOM 1341 O LEU A 87 -1.694 7.260 2.473 1.00 0.00 O ATOM 1342 CB LEU A 87 -4.906 6.229 2.924 1.00 0.00 C ATOM 1343 CG LEU A 87 -6.291 6.868 2.817 1.00 0.00 C ATOM 1344 CD1 LEU A 87 -7.334 6.002 3.506 1.00 0.00 C ATOM 1345 CD2 LEU A 87 -6.279 8.268 3.414 1.00 0.00 C ATOM 0 H LEU A 87 -5.130 5.431 0.580 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.006 7.660 1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.027 5.146 2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.473 6.506 3.885 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.554 6.946 1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.313 6.473 3.419 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.361 5.020 3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.077 5.891 4.559 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.273 8.708 3.329 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.995 8.213 4.465 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.561 8.887 2.876 1.00 0.00 H new ATOM 1357 N LYS A 88 -2.165 5.061 2.513 1.00 0.00 N ATOM 1358 CA LYS A 88 -0.836 4.672 2.968 1.00 0.00 C ATOM 1359 C LYS A 88 0.245 5.403 2.179 1.00 0.00 C ATOM 1360 O LYS A 88 1.129 6.034 2.757 1.00 0.00 O ATOM 1361 CB LYS A 88 -0.649 3.159 2.828 1.00 0.00 C ATOM 1362 CG LYS A 88 0.782 2.700 3.048 1.00 0.00 C ATOM 1363 CD LYS A 88 1.076 1.411 2.300 1.00 0.00 C ATOM 1364 CE LYS A 88 0.788 0.189 3.159 1.00 0.00 C ATOM 1365 NZ LYS A 88 1.961 -0.187 3.997 1.00 0.00 N ATOM 0 H LYS A 88 -2.808 4.281 2.376 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.744 4.948 4.018 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.298 2.653 3.543 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -0.971 2.852 1.833 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.470 3.478 2.717 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.958 2.551 4.113 1.00 0.00 H new ATOM 0 HD2 LYS A 88 0.473 1.370 1.393 1.00 0.00 H new ATOM 0 HD3 LYS A 88 2.121 1.400 1.989 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.069 0.391 3.802 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.515 -0.650 2.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 2.126 -1.211 3.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 2.803 0.325 3.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.773 0.063 4.989 1.00 0.00 H new ATOM 1379 N ALA A 89 0.167 5.315 0.855 1.00 0.00 N ATOM 1380 CA ALA A 89 1.136 5.972 -0.013 1.00 0.00 C ATOM 1381 C ALA A 89 1.614 7.287 0.594 1.00 0.00 C ATOM 1382 O ALA A 89 2.783 7.429 0.949 1.00 0.00 O ATOM 1383 CB ALA A 89 0.535 6.211 -1.390 1.00 0.00 C ATOM 0 H ALA A 89 -0.558 4.795 0.360 1.00 0.00 H new ATOM 0 HA ALA A 89 1.999 5.315 -0.115 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.270 6.702 -2.028 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.250 5.257 -1.833 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.347 6.845 -1.297 1.00 0.00 H new ATOM 1389 N ASN A 90 0.701 8.247 0.707 1.00 0.00 N ATOM 1390 CA ASN A 90 1.030 9.552 1.270 1.00 0.00 C ATOM 1391 C ASN A 90 1.318 9.443 2.764 1.00 0.00 C ATOM 1392 O ASN A 90 2.397 9.813 3.227 1.00 0.00 O ATOM 1393 CB ASN A 90 -0.116 10.537 1.030 1.00 0.00 C ATOM 1394 CG ASN A 90 0.214 11.936 1.515 1.00 0.00 C ATOM 1395 OD1 ASN A 90 1.236 12.154 2.165 1.00 0.00 O ATOM 1396 ND2 ASN A 90 -0.653 12.891 1.200 1.00 0.00 N ATOM 0 H ASN A 90 -0.271 8.146 0.416 1.00 0.00 H new ATOM 0 HA ASN A 90 1.927 9.920 0.772 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.347 10.569 -0.035 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -1.011 10.180 1.540 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -0.485 13.852 1.499 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.487 12.664 0.659 1.00 0.00 H new ATOM 1403 N ILE A 91 0.345 8.933 3.513 1.00 0.00 N ATOM 1404 CA ILE A 91 0.495 8.774 4.954 1.00 0.00 C ATOM 1405 C ILE A 91 1.892 8.276 5.310 1.00 0.00 C ATOM 1406 O ILE A 91 2.687 9.000 5.909 1.00 0.00 O ATOM 1407 CB ILE A 91 -0.548 7.794 5.523 1.00 0.00 C ATOM 1408 CG1 ILE A 91 -1.926 8.457 5.579 1.00 0.00 C ATOM 1409 CG2 ILE A 91 -0.127 7.317 6.905 1.00 0.00 C ATOM 1410 CD1 ILE A 91 -3.062 7.475 5.756 1.00 0.00 C ATOM 0 H ILE A 91 -0.555 8.623 3.146 1.00 0.00 H new ATOM 0 HA ILE A 91 0.339 9.757 5.398 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.609 6.928 4.864 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.943 9.172 6.402 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.085 9.023 4.661 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.874 6.625 7.294 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.836 6.811 6.838 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.041 8.173 7.575 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.008 8.015 5.787 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.071 6.775 4.921 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.927 6.926 6.688 1.00 0.00 H new ATOM 1422 N LEU A 92 2.184 7.035 4.937 1.00 0.00 N ATOM 1423 CA LEU A 92 3.486 6.439 5.214 1.00 0.00 C ATOM 1424 C LEU A 92 4.611 7.296 4.641 1.00 0.00 C ATOM 1425 O LEU A 92 5.727 7.299 5.157 1.00 0.00 O ATOM 1426 CB LEU A 92 3.558 5.027 4.632 1.00 0.00 C ATOM 1427 CG LEU A 92 2.769 3.951 5.379 1.00 0.00 C ATOM 1428 CD1 LEU A 92 3.194 2.564 4.925 1.00 0.00 C ATOM 1429 CD2 LEU A 92 2.954 4.102 6.882 1.00 0.00 C ATOM 0 H LEU A 92 1.537 6.422 4.442 1.00 0.00 H new ATOM 0 HA LEU A 92 3.610 6.386 6.296 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.201 5.062 3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 92 4.604 4.723 4.597 1.00 0.00 H new ATOM 0 HG LEU A 92 1.711 4.077 5.148 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.621 1.812 5.468 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.009 2.459 3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.256 2.425 5.125 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.386 3.328 7.398 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.011 4.003 7.130 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.598 5.083 7.196 1.00 0.00 H new ATOM 1441 N GLY A 93 4.306 8.024 3.571 1.00 0.00 N ATOM 1442 CA GLY A 93 5.301 8.876 2.946 1.00 0.00 C ATOM 1443 C GLY A 93 5.688 10.052 3.821 1.00 0.00 C ATOM 1444 O GLY A 93 6.870 10.366 3.964 1.00 0.00 O ATOM 0 H GLY A 93 3.388 8.039 3.126 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.190 8.287 2.721 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.914 9.245 1.996 1.00 0.00 H new ATOM 1448 N LEU A 94 4.690 10.706 4.405 1.00 0.00 N ATOM 1449 CA LEU A 94 4.932 11.856 5.269 1.00 0.00 C ATOM 1450 C LEU A 94 6.108 11.597 6.205 1.00 0.00 C ATOM 1451 O LEU A 94 7.026 12.410 6.305 1.00 0.00 O ATOM 1452 CB LEU A 94 3.678 12.179 6.084 1.00 0.00 C ATOM 1453 CG LEU A 94 2.659 13.098 5.411 1.00 0.00 C ATOM 1454 CD1 LEU A 94 1.259 12.816 5.935 1.00 0.00 C ATOM 1455 CD2 LEU A 94 3.028 14.558 5.633 1.00 0.00 C ATOM 0 H LEU A 94 3.706 10.460 4.296 1.00 0.00 H new ATOM 0 HA LEU A 94 5.177 12.709 4.636 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.181 11.242 6.336 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.987 12.638 7.023 1.00 0.00 H new ATOM 0 HG LEU A 94 2.672 12.899 4.339 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.547 13.480 5.445 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.994 11.780 5.725 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.232 12.986 7.011 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.291 15.197 5.147 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.044 14.771 6.702 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.013 14.753 5.210 1.00 0.00 H new