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 25 HIS : no HD1:sc= -0.222 K(o=-0.32,f=-1.1) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -113:sc= -0.0935 (180deg=-0.142) USER MOD Single : A 17 GLN : amide:sc= -0.101 K(o=-0.1,f=-2.1!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0436 K(o=-0.044,f=-1.2!) USER MOD Single : A 35 ASN : amide:sc= -0.151 K(o=-0.15,f=-3.8!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0658 K(o=-0.066,f=-1.6!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -106:sc= -0.622 (180deg=-4.79!) USER MOD Single : A 54 GLN : amide:sc= -0.233 K(o=-0.23,f=-2.5!) USER MOD Single : A 63 HIS :FLIP no HD1:sc= -2.42! C(o=-3.4!,f=-2.4!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.431 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.119 K(o=-0.12,f=-2.6!) USER MOD Single : A 83 MET CE :methyl 160:sc= -5.13! (180deg=-8.08!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD ----------------------------------------------------------------- ATOM 151 N TRP A 14 -2.424 -1.979 7.999 1.00 0.00 N ATOM 152 CA TRP A 14 -1.241 -1.134 8.123 1.00 0.00 C ATOM 153 C TRP A 14 -1.460 -0.041 9.164 1.00 0.00 C ATOM 154 O TRP A 14 -0.571 0.255 9.961 1.00 0.00 O ATOM 155 CB TRP A 14 -0.893 -0.507 6.772 1.00 0.00 C ATOM 156 CG TRP A 14 -2.001 0.326 6.201 1.00 0.00 C ATOM 157 CD1 TRP A 14 -2.941 -0.072 5.293 1.00 0.00 C ATOM 158 CD2 TRP A 14 -2.283 1.698 6.498 1.00 0.00 C ATOM 159 NE1 TRP A 14 -3.790 0.970 5.008 1.00 0.00 N ATOM 160 CE2 TRP A 14 -3.408 2.067 5.735 1.00 0.00 C ATOM 161 CE3 TRP A 14 -1.696 2.650 7.336 1.00 0.00 C ATOM 162 CZ2 TRP A 14 -3.954 3.346 5.785 1.00 0.00 C ATOM 163 CZ3 TRP A 14 -2.239 3.919 7.385 1.00 0.00 C ATOM 164 CH2 TRP A 14 -3.359 4.258 6.614 1.00 0.00 C ATOM 0 HA TRP A 14 -0.410 -1.760 8.450 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -0.003 0.113 6.885 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -0.642 -1.299 6.066 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -3.007 -1.060 4.863 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.577 0.933 4.360 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -0.833 2.398 7.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.816 3.610 5.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -1.793 4.663 8.029 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -3.761 5.259 6.675 1.00 0.00 H new ATOM 175 N GLU A 15 -2.649 0.553 9.150 1.00 0.00 N ATOM 176 CA GLU A 15 -2.983 1.614 10.094 1.00 0.00 C ATOM 177 C GLU A 15 -2.702 1.175 11.528 1.00 0.00 C ATOM 178 O GLU A 15 -2.500 2.004 12.415 1.00 0.00 O ATOM 179 CB GLU A 15 -4.453 2.012 9.949 1.00 0.00 C ATOM 180 CG GLU A 15 -5.423 0.924 10.377 1.00 0.00 C ATOM 181 CD GLU A 15 -6.763 1.028 9.674 1.00 0.00 C ATOM 182 OE1 GLU A 15 -6.773 1.289 8.453 1.00 0.00 O ATOM 183 OE2 GLU A 15 -7.801 0.848 10.345 1.00 0.00 O ATOM 0 H GLU A 15 -3.396 0.318 8.497 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.357 2.477 9.868 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.639 2.907 10.543 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.649 2.273 8.909 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.983 -0.052 10.170 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.577 0.983 11.455 1.00 0.00 H new ATOM 190 N LEU A 16 -2.693 -0.136 11.747 1.00 0.00 N ATOM 191 CA LEU A 16 -2.438 -0.687 13.074 1.00 0.00 C ATOM 192 C LEU A 16 -0.984 -0.475 13.481 1.00 0.00 C ATOM 193 O LEU A 16 -0.674 -0.345 14.665 1.00 0.00 O ATOM 194 CB LEU A 16 -2.775 -2.179 13.100 1.00 0.00 C ATOM 195 CG LEU A 16 -4.263 -2.532 13.089 1.00 0.00 C ATOM 196 CD1 LEU A 16 -4.456 -4.024 12.869 1.00 0.00 C ATOM 197 CD2 LEU A 16 -4.925 -2.092 14.386 1.00 0.00 C ATOM 0 H LEU A 16 -2.859 -0.836 11.024 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.075 -0.164 13.787 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.304 -2.652 12.239 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.325 -2.617 13.991 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.737 -2.000 12.264 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.521 -4.256 12.864 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.018 -4.310 11.913 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.968 -4.576 13.672 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.983 -2.351 14.360 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.448 -2.596 15.227 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.818 -1.013 14.501 1.00 0.00 H new ATOM 209 N GLN A 17 -0.096 -0.440 12.493 1.00 0.00 N ATOM 210 CA GLN A 17 1.325 -0.241 12.749 1.00 0.00 C ATOM 211 C GLN A 17 1.660 1.244 12.840 1.00 0.00 C ATOM 212 O GLN A 17 2.492 1.653 13.650 1.00 0.00 O ATOM 213 CB GLN A 17 2.160 -0.898 11.649 1.00 0.00 C ATOM 214 CG GLN A 17 1.984 -2.406 11.570 1.00 0.00 C ATOM 215 CD GLN A 17 2.971 -3.155 12.444 1.00 0.00 C ATOM 216 OE1 GLN A 17 3.921 -2.573 12.967 1.00 0.00 O ATOM 217 NE2 GLN A 17 2.750 -4.454 12.608 1.00 0.00 N ATOM 0 H GLN A 17 -0.336 -0.547 11.507 1.00 0.00 H new ATOM 0 HA GLN A 17 1.564 -0.707 13.705 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.891 -0.458 10.689 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.213 -0.672 11.819 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.969 -2.666 11.870 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.103 -2.728 10.536 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.950 -4.896 12.156 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.380 -5.010 13.186 1.00 0.00 H new ATOM 226 N ILE A 18 1.008 2.044 12.004 1.00 0.00 N ATOM 227 CA ILE A 18 1.236 3.484 11.991 1.00 0.00 C ATOM 228 C ILE A 18 0.664 4.143 13.242 1.00 0.00 C ATOM 229 O ILE A 18 -0.451 3.836 13.663 1.00 0.00 O ATOM 230 CB ILE A 18 0.612 4.142 10.747 1.00 0.00 C ATOM 231 CG1 ILE A 18 1.346 5.441 10.407 1.00 0.00 C ATOM 232 CG2 ILE A 18 -0.869 4.408 10.975 1.00 0.00 C ATOM 233 CD1 ILE A 18 0.794 6.146 9.188 1.00 0.00 C ATOM 0 H ILE A 18 0.318 1.720 11.327 1.00 0.00 H new ATOM 0 HA ILE A 18 2.316 3.632 11.967 1.00 0.00 H new ATOM 0 HB ILE A 18 0.713 3.459 9.904 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.291 6.115 11.262 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.401 5.220 10.243 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.296 4.873 10.087 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.381 3.467 11.173 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.992 5.075 11.828 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.362 7.058 9.007 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.874 5.490 8.321 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.253 6.398 9.357 1.00 0.00 H new ATOM 245 N SER A 19 1.435 5.051 13.831 1.00 0.00 N ATOM 246 CA SER A 19 1.006 5.753 15.035 1.00 0.00 C ATOM 247 C SER A 19 -0.395 6.330 14.858 1.00 0.00 C ATOM 248 O SER A 19 -0.870 6.541 13.742 1.00 0.00 O ATOM 249 CB SER A 19 1.992 6.872 15.377 1.00 0.00 C ATOM 250 OG SER A 19 3.057 6.387 16.176 1.00 0.00 O ATOM 0 H SER A 19 2.360 5.318 13.494 1.00 0.00 H new ATOM 0 HA SER A 19 0.983 5.036 15.855 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.390 7.304 14.459 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.471 7.671 15.905 1.00 0.00 H new ATOM 0 HG SER A 19 3.674 7.121 16.379 1.00 0.00 H new ATOM 256 N PRO A 20 -1.073 6.591 15.985 1.00 0.00 N ATOM 257 CA PRO A 20 -2.429 7.147 15.982 1.00 0.00 C ATOM 258 C PRO A 20 -2.460 8.597 15.511 1.00 0.00 C ATOM 259 O PRO A 20 -3.452 9.054 14.945 1.00 0.00 O ATOM 260 CB PRO A 20 -2.855 7.052 17.449 1.00 0.00 C ATOM 261 CG PRO A 20 -1.578 7.064 18.216 1.00 0.00 C ATOM 262 CD PRO A 20 -0.568 6.364 17.350 1.00 0.00 C ATOM 0 HA PRO A 20 -3.087 6.612 15.297 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -3.494 7.889 17.731 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.422 6.141 17.638 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.264 8.085 18.435 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.692 6.554 19.172 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.431 6.779 17.483 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.506 5.301 17.584 1.00 0.00 H new ATOM 270 N GLU A 21 -1.367 9.315 15.749 1.00 0.00 N ATOM 271 CA GLU A 21 -1.270 10.714 15.349 1.00 0.00 C ATOM 272 C GLU A 21 -0.902 10.834 13.873 1.00 0.00 C ATOM 273 O GLU A 21 -1.262 11.806 13.208 1.00 0.00 O ATOM 274 CB GLU A 21 -0.231 11.442 16.205 1.00 0.00 C ATOM 275 CG GLU A 21 -0.614 11.541 17.672 1.00 0.00 C ATOM 276 CD GLU A 21 -0.006 12.752 18.353 1.00 0.00 C ATOM 277 OE1 GLU A 21 0.184 13.781 17.672 1.00 0.00 O ATOM 278 OE2 GLU A 21 0.279 12.671 19.566 1.00 0.00 O ATOM 0 H GLU A 21 -0.537 8.951 16.217 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.245 11.177 15.502 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.724 10.924 16.122 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.084 12.446 15.808 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.700 11.587 17.758 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.292 10.638 18.190 1.00 0.00 H new ATOM 285 N LEU A 22 -0.182 9.839 13.366 1.00 0.00 N ATOM 286 CA LEU A 22 0.236 9.831 11.969 1.00 0.00 C ATOM 287 C LEU A 22 -0.959 9.619 11.044 1.00 0.00 C ATOM 288 O LEU A 22 -1.045 10.223 9.974 1.00 0.00 O ATOM 289 CB LEU A 22 1.278 8.736 11.733 1.00 0.00 C ATOM 290 CG LEU A 22 2.700 9.052 12.201 1.00 0.00 C ATOM 291 CD1 LEU A 22 3.456 9.819 11.128 1.00 0.00 C ATOM 292 CD2 LEU A 22 2.671 9.840 13.502 1.00 0.00 C ATOM 0 H LEU A 22 0.124 9.027 13.902 1.00 0.00 H new ATOM 0 HA LEU A 22 0.680 10.801 11.743 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.944 7.829 12.237 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.308 8.515 10.666 1.00 0.00 H new ATOM 0 HG LEU A 22 3.220 8.111 12.381 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.465 10.035 11.478 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.508 9.219 10.220 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.938 10.754 10.916 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.691 10.056 13.820 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.133 10.776 13.349 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.168 9.254 14.271 1.00 0.00 H new ATOM 304 N LEU A 23 -1.879 8.758 11.464 1.00 0.00 N ATOM 305 CA LEU A 23 -3.071 8.467 10.675 1.00 0.00 C ATOM 306 C LEU A 23 -3.896 9.730 10.448 1.00 0.00 C ATOM 307 O LEU A 23 -4.294 10.030 9.323 1.00 0.00 O ATOM 308 CB LEU A 23 -3.924 7.407 11.374 1.00 0.00 C ATOM 309 CG LEU A 23 -5.302 7.145 10.766 1.00 0.00 C ATOM 310 CD1 LEU A 23 -5.167 6.578 9.361 1.00 0.00 C ATOM 311 CD2 LEU A 23 -6.104 6.201 11.649 1.00 0.00 C ATOM 0 H LEU A 23 -1.823 8.249 12.346 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.750 8.085 9.706 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.368 6.469 11.381 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.059 7.706 12.414 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.836 8.093 10.703 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.158 6.398 8.945 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.633 7.289 8.731 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.613 5.640 9.399 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.082 6.026 11.201 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.574 5.253 11.744 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.232 6.646 12.636 1.00 0.00 H new ATOM 323 N ALA A 24 -4.147 10.468 11.525 1.00 0.00 N ATOM 324 CA ALA A 24 -4.920 11.701 11.443 1.00 0.00 C ATOM 325 C ALA A 24 -4.148 12.785 10.698 1.00 0.00 C ATOM 326 O ALA A 24 -4.717 13.525 9.895 1.00 0.00 O ATOM 327 CB ALA A 24 -5.296 12.182 12.837 1.00 0.00 C ATOM 0 H ALA A 24 -3.826 10.233 12.464 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.832 11.492 10.884 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.873 13.104 12.761 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.894 11.420 13.336 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.390 12.368 13.414 1.00 0.00 H new ATOM 333 N HIS A 25 -2.850 12.873 10.969 1.00 0.00 N ATOM 334 CA HIS A 25 -2.000 13.867 10.324 1.00 0.00 C ATOM 335 C HIS A 25 -1.929 13.626 8.819 1.00 0.00 C ATOM 336 O HIS A 25 -1.975 14.567 8.027 1.00 0.00 O ATOM 337 CB HIS A 25 -0.594 13.834 10.924 1.00 0.00 C ATOM 338 CG HIS A 25 0.472 14.299 9.980 1.00 0.00 C ATOM 339 ND1 HIS A 25 0.411 15.503 9.311 1.00 0.00 N ATOM 340 CD2 HIS A 25 1.631 13.714 9.596 1.00 0.00 C ATOM 341 CE1 HIS A 25 1.486 15.638 8.554 1.00 0.00 C ATOM 342 NE2 HIS A 25 2.242 14.567 8.710 1.00 0.00 N ATOM 0 H HIS A 25 -2.364 12.268 11.631 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.438 14.850 10.497 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -0.574 14.459 11.817 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -0.367 12.816 11.242 1.00 0.00 H new ATOM 0 HD2 HIS A 25 2.005 12.756 9.925 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.708 16.481 7.916 1.00 0.00 H new ATOM 0 HE2 HIS A 25 3.136 14.400 8.247 1.00 0.00 H new ATOM 351 N GLY A 26 -1.816 12.360 8.431 1.00 0.00 N ATOM 352 CA GLY A 26 -1.739 12.019 7.023 1.00 0.00 C ATOM 353 C GLY A 26 -3.069 12.182 6.314 1.00 0.00 C ATOM 354 O GLY A 26 -3.203 13.014 5.417 1.00 0.00 O ATOM 0 H GLY A 26 -1.776 11.564 9.067 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.993 12.650 6.540 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -1.400 10.988 6.920 1.00 0.00 H new ATOM 358 N ARG A 27 -4.054 11.386 6.715 1.00 0.00 N ATOM 359 CA ARG A 27 -5.379 11.444 6.110 1.00 0.00 C ATOM 360 C ARG A 27 -5.789 12.888 5.838 1.00 0.00 C ATOM 361 O ARG A 27 -6.180 13.232 4.723 1.00 0.00 O ATOM 362 CB ARG A 27 -6.409 10.773 7.020 1.00 0.00 C ATOM 363 CG ARG A 27 -6.533 9.274 6.799 1.00 0.00 C ATOM 364 CD ARG A 27 -7.376 8.619 7.882 1.00 0.00 C ATOM 365 NE ARG A 27 -7.850 7.297 7.482 1.00 0.00 N ATOM 366 CZ ARG A 27 -8.919 6.710 8.007 1.00 0.00 C ATOM 367 NH1 ARG A 27 -9.623 7.325 8.947 1.00 0.00 N ATOM 368 NH2 ARG A 27 -9.288 5.505 7.590 1.00 0.00 N ATOM 0 H ARG A 27 -3.960 10.693 7.457 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.341 10.910 5.161 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.137 10.957 8.059 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.382 11.237 6.858 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.981 9.085 5.823 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.540 8.824 6.787 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.788 8.532 8.796 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.230 9.256 8.112 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.331 6.797 6.760 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.344 8.252 9.269 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.444 6.871 9.348 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -8.750 5.029 6.866 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.109 5.055 7.994 1.00 0.00 H new ATOM 382 N GLN A 28 -5.697 13.728 6.864 1.00 0.00 N ATOM 383 CA GLN A 28 -6.060 15.134 6.736 1.00 0.00 C ATOM 384 C GLN A 28 -5.388 15.760 5.518 1.00 0.00 C ATOM 385 O GLN A 28 -6.051 16.345 4.661 1.00 0.00 O ATOM 386 CB GLN A 28 -5.669 15.901 8.000 1.00 0.00 C ATOM 387 CG GLN A 28 -6.488 17.162 8.224 1.00 0.00 C ATOM 388 CD GLN A 28 -7.860 16.872 8.799 1.00 0.00 C ATOM 389 OE1 GLN A 28 -8.046 15.899 9.531 1.00 0.00 O ATOM 390 NE2 GLN A 28 -8.831 17.717 8.471 1.00 0.00 N ATOM 0 H GLN A 28 -5.374 13.459 7.793 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.140 15.194 6.604 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.784 15.245 8.863 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.614 16.169 7.941 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.948 17.826 8.899 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.599 17.691 7.278 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.632 18.510 7.861 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.775 17.573 8.829 1.00 0.00 H new ATOM 399 N LYS A 29 -4.067 15.635 5.448 1.00 0.00 N ATOM 400 CA LYS A 29 -3.304 16.187 4.335 1.00 0.00 C ATOM 401 C LYS A 29 -3.891 15.744 2.999 1.00 0.00 C ATOM 402 O LYS A 29 -4.047 16.551 2.081 1.00 0.00 O ATOM 403 CB LYS A 29 -1.839 15.753 4.429 1.00 0.00 C ATOM 404 CG LYS A 29 -0.971 16.710 5.227 1.00 0.00 C ATOM 405 CD LYS A 29 0.467 16.701 4.735 1.00 0.00 C ATOM 406 CE LYS A 29 1.137 18.050 4.947 1.00 0.00 C ATOM 407 NZ LYS A 29 1.020 18.511 6.358 1.00 0.00 N ATOM 0 H LYS A 29 -3.502 15.156 6.149 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.360 17.274 4.393 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.790 14.765 4.886 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.431 15.659 3.422 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.376 17.719 5.151 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.998 16.434 6.281 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.028 15.928 5.261 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.489 16.445 3.676 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.190 17.980 4.674 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.685 18.788 4.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.411 19.353 6.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.603 17.754 6.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.964 18.748 6.725 1.00 0.00 H new ATOM 421 N ILE A 30 -4.218 14.460 2.898 1.00 0.00 N ATOM 422 CA ILE A 30 -4.791 13.913 1.675 1.00 0.00 C ATOM 423 C ILE A 30 -6.169 14.504 1.400 1.00 0.00 C ATOM 424 O ILE A 30 -6.496 14.844 0.262 1.00 0.00 O ATOM 425 CB ILE A 30 -4.908 12.379 1.746 1.00 0.00 C ATOM 426 CG1 ILE A 30 -3.521 11.744 1.867 1.00 0.00 C ATOM 427 CG2 ILE A 30 -5.635 11.846 0.520 1.00 0.00 C ATOM 428 CD1 ILE A 30 -3.558 10.265 2.181 1.00 0.00 C ATOM 0 H ILE A 30 -4.096 13.780 3.648 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.115 14.181 0.863 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.486 12.115 2.631 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.979 11.895 0.934 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.962 12.259 2.648 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.710 10.760 0.585 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.635 12.277 0.474 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.081 12.119 -0.378 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.540 9.883 2.252 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.072 10.107 3.129 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.089 9.738 1.388 1.00 0.00 H new ATOM 440 N LEU A 31 -6.973 14.627 2.450 1.00 0.00 N ATOM 441 CA LEU A 31 -8.317 15.180 2.324 1.00 0.00 C ATOM 442 C LEU A 31 -8.272 16.601 1.771 1.00 0.00 C ATOM 443 O LEU A 31 -8.745 16.863 0.665 1.00 0.00 O ATOM 444 CB LEU A 31 -9.024 15.172 3.681 1.00 0.00 C ATOM 445 CG LEU A 31 -10.447 15.731 3.700 1.00 0.00 C ATOM 446 CD1 LEU A 31 -11.432 14.703 3.167 1.00 0.00 C ATOM 447 CD2 LEU A 31 -10.831 16.161 5.109 1.00 0.00 C ATOM 0 H LEU A 31 -6.718 14.351 3.398 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.875 14.555 1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.053 14.146 4.047 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.421 15.744 4.386 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.482 16.606 3.052 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.439 15.119 3.188 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.168 14.444 2.142 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.396 13.808 3.788 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.847 16.556 5.105 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.779 15.302 5.778 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.143 16.933 5.454 1.00 0.00 H new ATOM 459 N ASP A 32 -7.697 17.514 2.546 1.00 0.00 N ATOM 460 CA ASP A 32 -7.586 18.908 2.133 1.00 0.00 C ATOM 461 C ASP A 32 -7.189 19.009 0.664 1.00 0.00 C ATOM 462 O ASP A 32 -7.781 19.773 -0.100 1.00 0.00 O ATOM 463 CB ASP A 32 -6.563 19.640 3.002 1.00 0.00 C ATOM 464 CG ASP A 32 -6.641 21.146 2.845 1.00 0.00 C ATOM 465 OD1 ASP A 32 -7.565 21.755 3.422 1.00 0.00 O ATOM 466 OD2 ASP A 32 -5.778 21.715 2.144 1.00 0.00 O ATOM 0 H ASP A 32 -7.300 17.314 3.464 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.561 19.378 2.261 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.725 19.378 4.048 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.560 19.302 2.740 1.00 0.00 H new ATOM 471 N LEU A 33 -6.182 18.235 0.274 1.00 0.00 N ATOM 472 CA LEU A 33 -5.704 18.238 -1.105 1.00 0.00 C ATOM 473 C LEU A 33 -6.798 17.772 -2.061 1.00 0.00 C ATOM 474 O LEU A 33 -6.917 18.277 -3.178 1.00 0.00 O ATOM 475 CB LEU A 33 -4.475 17.338 -1.241 1.00 0.00 C ATOM 476 CG LEU A 33 -4.070 16.966 -2.667 1.00 0.00 C ATOM 477 CD1 LEU A 33 -3.831 18.217 -3.498 1.00 0.00 C ATOM 478 CD2 LEU A 33 -2.829 16.085 -2.657 1.00 0.00 C ATOM 0 H LEU A 33 -5.681 17.598 0.893 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.429 19.260 -1.367 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.631 17.835 -0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.660 16.418 -0.686 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.886 16.404 -3.121 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.544 17.932 -4.510 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.745 18.810 -3.534 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.033 18.807 -3.047 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.555 15.830 -3.681 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.006 16.621 -2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.035 15.172 -2.099 1.00 0.00 H new ATOM 490 N LEU A 34 -7.596 16.809 -1.615 1.00 0.00 N ATOM 491 CA LEU A 34 -8.682 16.276 -2.430 1.00 0.00 C ATOM 492 C LEU A 34 -9.816 17.289 -2.556 1.00 0.00 C ATOM 493 O LEU A 34 -10.652 17.191 -3.452 1.00 0.00 O ATOM 494 CB LEU A 34 -9.210 14.975 -1.824 1.00 0.00 C ATOM 495 CG LEU A 34 -8.242 13.791 -1.827 1.00 0.00 C ATOM 496 CD1 LEU A 34 -8.544 12.852 -0.670 1.00 0.00 C ATOM 497 CD2 LEU A 34 -8.314 13.048 -3.153 1.00 0.00 C ATOM 0 H LEU A 34 -7.512 16.381 -0.693 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.289 16.072 -3.426 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.508 15.172 -0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.110 14.684 -2.366 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.229 14.173 -1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.845 12.016 -0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.441 13.390 0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.563 12.476 -0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.619 12.209 -3.138 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.327 12.677 -3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.048 13.725 -3.964 1.00 0.00 H new ATOM 509 N ASN A 35 -9.835 18.263 -1.651 1.00 0.00 N ATOM 510 CA ASN A 35 -10.865 19.296 -1.662 1.00 0.00 C ATOM 511 C ASN A 35 -10.399 20.521 -2.443 1.00 0.00 C ATOM 512 O ASN A 35 -11.047 20.942 -3.400 1.00 0.00 O ATOM 513 CB ASN A 35 -11.229 19.697 -0.231 1.00 0.00 C ATOM 514 CG ASN A 35 -12.293 18.798 0.369 1.00 0.00 C ATOM 515 OD1 ASN A 35 -13.111 18.222 -0.349 1.00 0.00 O ATOM 516 ND2 ASN A 35 -12.286 18.675 1.691 1.00 0.00 N ATOM 0 H ASN A 35 -9.150 18.358 -0.902 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.748 18.889 -2.154 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.335 19.663 0.392 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.583 20.728 -0.224 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.978 18.084 2.152 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.589 19.172 2.246 1.00 0.00 H new ATOM 523 N GLU A 36 -9.271 21.088 -2.026 1.00 0.00 N ATOM 524 CA GLU A 36 -8.718 22.265 -2.686 1.00 0.00 C ATOM 525 C GLU A 36 -8.023 21.881 -3.989 1.00 0.00 C ATOM 526 O GLU A 36 -8.155 22.567 -5.002 1.00 0.00 O ATOM 527 CB GLU A 36 -7.733 22.981 -1.761 1.00 0.00 C ATOM 528 CG GLU A 36 -8.352 23.445 -0.454 1.00 0.00 C ATOM 529 CD GLU A 36 -7.522 24.506 0.241 1.00 0.00 C ATOM 530 OE1 GLU A 36 -6.319 24.261 0.472 1.00 0.00 O ATOM 531 OE2 GLU A 36 -8.074 25.581 0.555 1.00 0.00 O ATOM 0 H GLU A 36 -8.723 20.751 -1.235 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.542 22.940 -2.919 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.901 22.311 -1.542 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.319 23.843 -2.283 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.349 23.839 -0.649 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.472 22.590 0.211 1.00 0.00 H new ATOM 538 N GLY A 37 -7.280 20.779 -3.955 1.00 0.00 N ATOM 539 CA GLY A 37 -6.574 20.323 -5.138 1.00 0.00 C ATOM 540 C GLY A 37 -7.516 19.880 -6.241 1.00 0.00 C ATOM 541 O GLY A 37 -8.632 19.437 -5.972 1.00 0.00 O ATOM 0 H GLY A 37 -7.154 20.194 -3.129 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.937 21.126 -5.509 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.919 19.494 -4.869 1.00 0.00 H new ATOM 545 N SER A 38 -7.065 20.002 -7.485 1.00 0.00 N ATOM 546 CA SER A 38 -7.878 19.617 -8.633 1.00 0.00 C ATOM 547 C SER A 38 -7.358 18.325 -9.257 1.00 0.00 C ATOM 548 O SER A 38 -6.284 17.840 -8.903 1.00 0.00 O ATOM 549 CB SER A 38 -7.885 20.734 -9.678 1.00 0.00 C ATOM 550 OG SER A 38 -8.296 21.964 -9.107 1.00 0.00 O ATOM 0 H SER A 38 -6.142 20.364 -7.724 1.00 0.00 H new ATOM 0 HA SER A 38 -8.897 19.449 -8.285 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.888 20.843 -10.105 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.555 20.467 -10.496 1.00 0.00 H new ATOM 0 HG SER A 38 -8.290 22.662 -9.795 1.00 0.00 H new ATOM 556 N ALA A 39 -8.130 17.773 -10.188 1.00 0.00 N ATOM 557 CA ALA A 39 -7.748 16.539 -10.863 1.00 0.00 C ATOM 558 C ALA A 39 -6.240 16.475 -11.078 1.00 0.00 C ATOM 559 O ALA A 39 -5.549 15.661 -10.465 1.00 0.00 O ATOM 560 CB ALA A 39 -8.479 16.416 -12.192 1.00 0.00 C ATOM 0 H ALA A 39 -9.023 18.161 -10.492 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.033 15.702 -10.226 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.184 15.490 -12.685 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.555 16.407 -12.016 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.223 17.263 -12.828 1.00 0.00 H new ATOM 566 N ARG A 40 -5.735 17.337 -11.954 1.00 0.00 N ATOM 567 CA ARG A 40 -4.308 17.377 -12.252 1.00 0.00 C ATOM 568 C ARG A 40 -3.483 17.256 -10.975 1.00 0.00 C ATOM 569 O ARG A 40 -2.692 16.326 -10.821 1.00 0.00 O ATOM 570 CB ARG A 40 -3.954 18.675 -12.981 1.00 0.00 C ATOM 571 CG ARG A 40 -2.461 18.867 -13.191 1.00 0.00 C ATOM 572 CD ARG A 40 -1.961 18.078 -14.391 1.00 0.00 C ATOM 573 NE ARG A 40 -0.549 18.330 -14.663 1.00 0.00 N ATOM 574 CZ ARG A 40 -0.084 19.489 -15.117 1.00 0.00 C ATOM 575 NH1 ARG A 40 -0.915 20.496 -15.347 1.00 0.00 N ATOM 576 NH2 ARG A 40 1.215 19.642 -15.340 1.00 0.00 N ATOM 0 H ARG A 40 -6.293 18.017 -12.470 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.073 16.531 -12.897 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.453 18.685 -13.950 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.344 19.519 -12.412 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.246 19.926 -13.335 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.923 18.551 -12.297 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.111 17.013 -14.213 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.552 18.341 -15.269 1.00 0.00 H new ATOM 0 HE ARG A 40 0.117 17.576 -14.495 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.914 20.382 -15.175 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.555 21.385 -15.695 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.857 18.870 -15.163 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.571 20.532 -15.689 1.00 0.00 H new ATOM 590 N ASP A 41 -3.672 18.203 -10.062 1.00 0.00 N ATOM 591 CA ASP A 41 -2.946 18.203 -8.798 1.00 0.00 C ATOM 592 C ASP A 41 -2.964 16.817 -8.161 1.00 0.00 C ATOM 593 O ASP A 41 -1.924 16.296 -7.754 1.00 0.00 O ATOM 594 CB ASP A 41 -3.552 19.227 -7.837 1.00 0.00 C ATOM 595 CG ASP A 41 -3.694 20.599 -8.467 1.00 0.00 C ATOM 596 OD1 ASP A 41 -2.691 21.342 -8.502 1.00 0.00 O ATOM 597 OD2 ASP A 41 -4.808 20.930 -8.924 1.00 0.00 O ATOM 0 H ASP A 41 -4.322 18.981 -10.174 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.911 18.476 -9.002 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.531 18.878 -7.509 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.926 19.302 -6.948 1.00 0.00 H new ATOM 602 N LEU A 42 -4.150 16.225 -8.078 1.00 0.00 N ATOM 603 CA LEU A 42 -4.304 14.899 -7.489 1.00 0.00 C ATOM 604 C LEU A 42 -3.386 13.891 -8.172 1.00 0.00 C ATOM 605 O LEU A 42 -2.691 13.120 -7.509 1.00 0.00 O ATOM 606 CB LEU A 42 -5.758 14.437 -7.597 1.00 0.00 C ATOM 607 CG LEU A 42 -6.782 15.253 -6.807 1.00 0.00 C ATOM 608 CD1 LEU A 42 -8.196 14.900 -7.241 1.00 0.00 C ATOM 609 CD2 LEU A 42 -6.608 15.023 -5.312 1.00 0.00 C ATOM 0 H LEU A 42 -5.019 16.642 -8.411 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.027 14.961 -6.437 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.045 14.451 -8.648 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.815 13.401 -7.264 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.614 16.310 -7.014 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.911 15.491 -6.668 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.315 15.116 -8.303 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.377 13.840 -7.064 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.345 15.611 -4.765 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.749 13.966 -5.088 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.605 15.327 -5.011 1.00 0.00 H new ATOM 621 N ARG A 43 -3.387 13.903 -9.501 1.00 0.00 N ATOM 622 CA ARG A 43 -2.554 12.990 -10.274 1.00 0.00 C ATOM 623 C ARG A 43 -1.158 12.883 -9.668 1.00 0.00 C ATOM 624 O ARG A 43 -0.514 11.836 -9.748 1.00 0.00 O ATOM 625 CB ARG A 43 -2.456 13.460 -11.727 1.00 0.00 C ATOM 626 CG ARG A 43 -3.798 13.525 -12.437 1.00 0.00 C ATOM 627 CD ARG A 43 -3.648 13.296 -13.933 1.00 0.00 C ATOM 628 NE ARG A 43 -2.697 14.225 -14.536 1.00 0.00 N ATOM 629 CZ ARG A 43 -2.051 13.982 -15.671 1.00 0.00 C ATOM 630 NH1 ARG A 43 -2.254 12.845 -16.323 1.00 0.00 N ATOM 631 NH2 ARG A 43 -1.201 14.877 -16.157 1.00 0.00 N ATOM 0 H ARG A 43 -3.955 14.535 -10.065 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.019 12.005 -10.249 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.994 14.447 -11.751 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.797 12.786 -12.274 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.469 12.775 -12.018 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.257 14.498 -12.261 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.318 12.273 -14.112 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.619 13.407 -14.416 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.519 15.109 -14.060 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.907 12.155 -15.953 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.757 12.661 -17.194 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.043 15.753 -15.659 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.706 14.689 -17.029 1.00 0.00 H new ATOM 645 N SER A 44 -0.696 13.972 -9.063 1.00 0.00 N ATOM 646 CA SER A 44 0.626 14.002 -8.447 1.00 0.00 C ATOM 647 C SER A 44 0.734 12.956 -7.341 1.00 0.00 C ATOM 648 O SER A 44 1.750 12.271 -7.215 1.00 0.00 O ATOM 649 CB SER A 44 0.915 15.393 -7.879 1.00 0.00 C ATOM 650 OG SER A 44 2.310 15.630 -7.796 1.00 0.00 O ATOM 0 H SER A 44 -1.217 14.845 -8.986 1.00 0.00 H new ATOM 0 HA SER A 44 1.364 13.770 -9.215 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.451 16.151 -8.510 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.468 15.485 -6.889 1.00 0.00 H new ATOM 0 HG SER A 44 2.469 16.526 -7.432 1.00 0.00 H new ATOM 656 N LEU A 45 -0.321 12.839 -6.542 1.00 0.00 N ATOM 657 CA LEU A 45 -0.346 11.877 -5.445 1.00 0.00 C ATOM 658 C LEU A 45 0.037 10.484 -5.934 1.00 0.00 C ATOM 659 O LEU A 45 -0.210 10.132 -7.087 1.00 0.00 O ATOM 660 CB LEU A 45 -1.735 11.841 -4.805 1.00 0.00 C ATOM 661 CG LEU A 45 -2.055 12.977 -3.833 1.00 0.00 C ATOM 662 CD1 LEU A 45 -3.485 12.860 -3.327 1.00 0.00 C ATOM 663 CD2 LEU A 45 -1.075 12.976 -2.669 1.00 0.00 C ATOM 0 H LEU A 45 -1.170 13.398 -6.633 1.00 0.00 H new ATOM 0 HA LEU A 45 0.383 12.194 -4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.480 11.849 -5.601 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.845 10.895 -4.275 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.955 13.923 -4.365 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.695 13.677 -2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.174 12.911 -4.170 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.612 11.908 -2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.318 13.791 -1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.142 12.027 -2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.061 13.109 -3.047 1.00 0.00 H new ATOM 675 N GLN A 46 0.640 9.697 -5.049 1.00 0.00 N ATOM 676 CA GLN A 46 1.055 8.341 -5.391 1.00 0.00 C ATOM 677 C GLN A 46 -0.150 7.412 -5.495 1.00 0.00 C ATOM 678 O GLN A 46 -1.114 7.543 -4.741 1.00 0.00 O ATOM 679 CB GLN A 46 2.037 7.808 -4.346 1.00 0.00 C ATOM 680 CG GLN A 46 3.332 8.599 -4.268 1.00 0.00 C ATOM 681 CD GLN A 46 4.323 8.203 -5.345 1.00 0.00 C ATOM 682 OE1 GLN A 46 4.258 7.101 -5.891 1.00 0.00 O ATOM 683 NE2 GLN A 46 5.249 9.103 -5.658 1.00 0.00 N ATOM 0 H GLN A 46 0.852 9.974 -4.091 1.00 0.00 H new ATOM 0 HA GLN A 46 1.550 8.373 -6.362 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.555 7.819 -3.368 1.00 0.00 H new ATOM 0 HB3 GLN A 46 2.270 6.768 -4.575 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.110 9.662 -4.357 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.786 8.449 -3.289 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.266 10.004 -5.180 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.942 8.893 -6.376 1.00 0.00 H new ATOM 692 N ARG A 47 -0.088 6.475 -6.435 1.00 0.00 N ATOM 693 CA ARG A 47 -1.175 5.525 -6.639 1.00 0.00 C ATOM 694 C ARG A 47 -2.409 6.223 -7.204 1.00 0.00 C ATOM 695 O ARG A 47 -3.538 5.785 -6.983 1.00 0.00 O ATOM 696 CB ARG A 47 -1.527 4.830 -5.322 1.00 0.00 C ATOM 697 CG ARG A 47 -0.316 4.317 -4.561 1.00 0.00 C ATOM 698 CD ARG A 47 0.263 3.070 -5.210 1.00 0.00 C ATOM 699 NE ARG A 47 1.687 2.914 -4.923 1.00 0.00 N ATOM 700 CZ ARG A 47 2.445 1.963 -5.458 1.00 0.00 C ATOM 701 NH1 ARG A 47 1.918 1.088 -6.303 1.00 0.00 N ATOM 702 NH2 ARG A 47 3.733 1.887 -5.148 1.00 0.00 N ATOM 0 H ARG A 47 0.703 6.353 -7.067 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.841 4.778 -7.359 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.075 5.527 -4.688 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.196 3.995 -5.529 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.446 5.095 -4.521 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.599 4.095 -3.532 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.277 2.192 -4.854 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.114 3.120 -6.289 1.00 0.00 H new ATOM 0 HE ARG A 47 2.123 3.571 -4.276 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.928 1.144 -6.544 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.502 0.359 -6.712 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.142 2.559 -4.499 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.314 1.157 -5.559 1.00 0.00 H new ATOM 716 N ILE A 48 -2.184 7.311 -7.932 1.00 0.00 N ATOM 717 CA ILE A 48 -3.277 8.070 -8.528 1.00 0.00 C ATOM 718 C ILE A 48 -3.030 8.315 -10.013 1.00 0.00 C ATOM 719 O ILE A 48 -1.888 8.458 -10.448 1.00 0.00 O ATOM 720 CB ILE A 48 -3.474 9.424 -7.822 1.00 0.00 C ATOM 721 CG1 ILE A 48 -3.547 9.227 -6.306 1.00 0.00 C ATOM 722 CG2 ILE A 48 -4.732 10.110 -8.334 1.00 0.00 C ATOM 723 CD1 ILE A 48 -4.749 8.425 -5.858 1.00 0.00 C ATOM 0 H ILE A 48 -1.255 7.687 -8.124 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.180 7.472 -8.406 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.619 10.062 -8.046 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.640 8.726 -5.969 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.571 10.203 -5.822 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.858 11.066 -7.826 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.643 10.279 -9.407 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.597 9.477 -8.137 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.736 8.325 -4.773 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.662 8.936 -6.164 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.717 7.435 -6.314 1.00 0.00 H new ATOM 735 N GLY A 49 -4.110 8.363 -10.787 1.00 0.00 N ATOM 736 CA GLY A 49 -3.990 8.593 -12.215 1.00 0.00 C ATOM 737 C GLY A 49 -4.963 9.641 -12.718 1.00 0.00 C ATOM 738 O GLY A 49 -5.669 10.286 -11.942 1.00 0.00 O ATOM 0 H GLY A 49 -5.066 8.247 -10.451 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.972 8.907 -12.445 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.162 7.657 -12.746 1.00 0.00 H new ATOM 742 N PRO A 50 -5.008 9.823 -14.046 1.00 0.00 N ATOM 743 CA PRO A 50 -5.898 10.800 -14.681 1.00 0.00 C ATOM 744 C PRO A 50 -7.365 10.395 -14.588 1.00 0.00 C ATOM 745 O PRO A 50 -8.259 11.235 -14.684 1.00 0.00 O ATOM 746 CB PRO A 50 -5.435 10.805 -16.140 1.00 0.00 C ATOM 747 CG PRO A 50 -4.817 9.465 -16.346 1.00 0.00 C ATOM 748 CD PRO A 50 -4.195 9.090 -15.030 1.00 0.00 C ATOM 0 HA PRO A 50 -5.843 11.776 -14.199 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -6.272 10.964 -16.820 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.718 11.604 -16.325 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -5.566 8.732 -16.647 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.067 9.498 -17.137 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -4.233 8.014 -14.860 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -3.146 9.384 -14.983 1.00 0.00 H new ATOM 756 N LYS A 51 -7.605 9.102 -14.402 1.00 0.00 N ATOM 757 CA LYS A 51 -8.964 8.584 -14.294 1.00 0.00 C ATOM 758 C LYS A 51 -9.539 8.848 -12.906 1.00 0.00 C ATOM 759 O LYS A 51 -10.498 9.605 -12.754 1.00 0.00 O ATOM 760 CB LYS A 51 -8.984 7.082 -14.589 1.00 0.00 C ATOM 761 CG LYS A 51 -8.887 6.751 -16.068 1.00 0.00 C ATOM 762 CD LYS A 51 -9.603 5.452 -16.397 1.00 0.00 C ATOM 763 CE LYS A 51 -11.082 5.683 -16.669 1.00 0.00 C ATOM 764 NZ LYS A 51 -11.838 4.403 -16.748 1.00 0.00 N ATOM 0 H LYS A 51 -6.876 8.393 -14.323 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.582 9.101 -15.028 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.156 6.606 -14.064 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.903 6.654 -14.189 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.319 7.563 -16.653 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.839 6.673 -16.356 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.139 4.991 -17.269 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.489 4.753 -15.568 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.503 6.306 -15.880 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.198 6.232 -17.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.841 4.603 -16.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.453 3.819 -17.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.749 3.891 -15.847 1.00 0.00 H new ATOM 778 N LYS A 52 -8.946 8.221 -11.896 1.00 0.00 N ATOM 779 CA LYS A 52 -9.397 8.390 -10.520 1.00 0.00 C ATOM 780 C LYS A 52 -9.611 9.865 -10.195 1.00 0.00 C ATOM 781 O LYS A 52 -10.669 10.253 -9.701 1.00 0.00 O ATOM 782 CB LYS A 52 -8.379 7.786 -9.550 1.00 0.00 C ATOM 783 CG LYS A 52 -8.586 6.303 -9.296 1.00 0.00 C ATOM 784 CD LYS A 52 -7.313 5.639 -8.799 1.00 0.00 C ATOM 785 CE LYS A 52 -7.619 4.461 -7.886 1.00 0.00 C ATOM 786 NZ LYS A 52 -8.244 4.897 -6.607 1.00 0.00 N ATOM 0 H LYS A 52 -8.151 7.591 -12.005 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.348 7.870 -10.409 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.376 7.941 -9.946 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.433 8.320 -8.601 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.379 6.166 -8.561 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.915 5.818 -10.215 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.723 5.298 -9.650 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.706 6.369 -8.263 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.287 3.768 -8.399 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.698 3.918 -7.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.549 4.822 -5.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.559 5.884 -6.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.061 4.290 -6.395 1.00 0.00 H new ATOM 800 N ALA A 53 -8.601 10.681 -10.476 1.00 0.00 N ATOM 801 CA ALA A 53 -8.681 12.113 -10.217 1.00 0.00 C ATOM 802 C ALA A 53 -9.998 12.690 -10.726 1.00 0.00 C ATOM 803 O ALA A 53 -10.720 13.357 -9.986 1.00 0.00 O ATOM 804 CB ALA A 53 -7.504 12.832 -10.859 1.00 0.00 C ATOM 0 H ALA A 53 -7.717 10.375 -10.883 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.641 12.265 -9.138 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.577 13.901 -10.658 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.572 12.447 -10.444 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.518 12.664 -11.936 1.00 0.00 H new ATOM 810 N GLN A 54 -10.302 12.430 -11.994 1.00 0.00 N ATOM 811 CA GLN A 54 -11.531 12.926 -12.601 1.00 0.00 C ATOM 812 C GLN A 54 -12.756 12.328 -11.917 1.00 0.00 C ATOM 813 O GLN A 54 -13.833 12.926 -11.915 1.00 0.00 O ATOM 814 CB GLN A 54 -11.555 12.598 -14.095 1.00 0.00 C ATOM 815 CG GLN A 54 -10.682 13.516 -14.934 1.00 0.00 C ATOM 816 CD GLN A 54 -11.290 14.893 -15.117 1.00 0.00 C ATOM 817 OE1 GLN A 54 -12.241 15.261 -14.427 1.00 0.00 O ATOM 818 NE2 GLN A 54 -10.743 15.662 -16.052 1.00 0.00 N ATOM 0 H GLN A 54 -9.714 11.879 -12.620 1.00 0.00 H new ATOM 0 HA GLN A 54 -11.559 14.008 -12.473 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.227 11.568 -14.238 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.582 12.658 -14.455 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.705 13.614 -14.461 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.519 13.062 -15.912 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.956 15.316 -16.601 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -11.110 16.598 -16.221 1.00 0.00 H new ATOM 827 N LEU A 55 -12.585 11.145 -11.337 1.00 0.00 N ATOM 828 CA LEU A 55 -13.677 10.465 -10.649 1.00 0.00 C ATOM 829 C LEU A 55 -13.958 11.115 -9.298 1.00 0.00 C ATOM 830 O LEU A 55 -15.114 11.289 -8.911 1.00 0.00 O ATOM 831 CB LEU A 55 -13.341 8.985 -10.456 1.00 0.00 C ATOM 832 CG LEU A 55 -13.172 8.163 -11.734 1.00 0.00 C ATOM 833 CD1 LEU A 55 -12.640 6.776 -11.409 1.00 0.00 C ATOM 834 CD2 LEU A 55 -14.492 8.067 -12.485 1.00 0.00 C ATOM 0 H LEU A 55 -11.701 10.637 -11.329 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.572 10.551 -11.266 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.419 8.915 -9.878 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -14.129 8.529 -9.856 1.00 0.00 H new ATOM 0 HG LEU A 55 -12.448 8.667 -12.375 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -12.526 6.205 -12.330 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.673 6.864 -10.915 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.340 6.263 -10.749 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -14.353 7.478 -13.392 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.237 7.586 -11.851 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -14.833 9.068 -12.751 1.00 0.00 H new ATOM 846 N ILE A 56 -12.895 11.473 -8.587 1.00 0.00 N ATOM 847 CA ILE A 56 -13.028 12.107 -7.281 1.00 0.00 C ATOM 848 C ILE A 56 -13.512 13.547 -7.416 1.00 0.00 C ATOM 849 O ILE A 56 -14.216 14.061 -6.546 1.00 0.00 O ATOM 850 CB ILE A 56 -11.694 12.097 -6.512 1.00 0.00 C ATOM 851 CG1 ILE A 56 -11.080 10.695 -6.532 1.00 0.00 C ATOM 852 CG2 ILE A 56 -11.904 12.568 -5.081 1.00 0.00 C ATOM 853 CD1 ILE A 56 -9.573 10.694 -6.400 1.00 0.00 C ATOM 0 H ILE A 56 -11.932 11.335 -8.893 1.00 0.00 H new ATOM 0 HA ILE A 56 -13.764 11.529 -6.723 1.00 0.00 H new ATOM 0 HB ILE A 56 -11.004 12.783 -7.002 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -11.508 10.108 -5.720 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -11.356 10.200 -7.463 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -10.952 12.555 -4.550 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -12.303 13.582 -5.087 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -12.608 11.904 -4.579 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -9.207 9.668 -6.422 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -9.135 11.253 -7.227 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.290 11.160 -5.456 1.00 0.00 H new ATOM 865 N VAL A 57 -13.132 14.193 -8.514 1.00 0.00 N ATOM 866 CA VAL A 57 -13.531 15.573 -8.765 1.00 0.00 C ATOM 867 C VAL A 57 -14.943 15.643 -9.335 1.00 0.00 C ATOM 868 O VAL A 57 -15.802 16.348 -8.808 1.00 0.00 O ATOM 869 CB VAL A 57 -12.561 16.269 -9.739 1.00 0.00 C ATOM 870 CG1 VAL A 57 -13.069 17.656 -10.099 1.00 0.00 C ATOM 871 CG2 VAL A 57 -11.165 16.343 -9.138 1.00 0.00 C ATOM 0 H VAL A 57 -12.549 13.783 -9.243 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.504 16.089 -7.805 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.507 15.679 -10.654 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.371 18.132 -10.788 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -14.047 17.574 -10.573 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -13.154 18.258 -9.195 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.493 16.837 -9.839 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -11.199 16.909 -8.207 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.802 15.335 -8.936 1.00 0.00 H new ATOM 881 N GLY A 58 -15.176 14.905 -10.416 1.00 0.00 N ATOM 882 CA GLY A 58 -16.486 14.896 -11.040 1.00 0.00 C ATOM 883 C GLY A 58 -17.599 14.620 -10.048 1.00 0.00 C ATOM 884 O GLY A 58 -18.769 14.882 -10.329 1.00 0.00 O ATOM 0 H GLY A 58 -14.481 14.313 -10.871 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -16.663 15.858 -11.521 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -16.506 14.139 -11.824 1.00 0.00 H new ATOM 888 N TRP A 59 -17.235 14.088 -8.887 1.00 0.00 N ATOM 889 CA TRP A 59 -18.213 13.775 -7.851 1.00 0.00 C ATOM 890 C TRP A 59 -18.498 14.996 -6.984 1.00 0.00 C ATOM 891 O TRP A 59 -19.636 15.461 -6.905 1.00 0.00 O ATOM 892 CB TRP A 59 -17.711 12.622 -6.980 1.00 0.00 C ATOM 893 CG TRP A 59 -18.612 12.317 -5.821 1.00 0.00 C ATOM 894 CD1 TRP A 59 -18.891 13.135 -4.763 1.00 0.00 C ATOM 895 CD2 TRP A 59 -19.349 11.110 -5.602 1.00 0.00 C ATOM 896 NE1 TRP A 59 -19.757 12.508 -3.900 1.00 0.00 N ATOM 897 CE2 TRP A 59 -20.054 11.265 -4.393 1.00 0.00 C ATOM 898 CE3 TRP A 59 -19.484 9.913 -6.312 1.00 0.00 C ATOM 899 CZ2 TRP A 59 -20.879 10.268 -3.879 1.00 0.00 C ATOM 900 CZ3 TRP A 59 -20.303 8.924 -5.800 1.00 0.00 C ATOM 901 CH2 TRP A 59 -20.992 9.107 -4.594 1.00 0.00 C ATOM 0 H TRP A 59 -16.271 13.864 -8.639 1.00 0.00 H new ATOM 0 HA TRP A 59 -19.140 13.476 -8.340 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -17.608 11.729 -7.596 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -16.717 12.866 -6.604 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -18.490 14.128 -4.625 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -20.120 12.904 -3.033 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -18.958 9.764 -7.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -21.411 10.406 -2.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -20.414 7.995 -6.339 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -21.625 8.316 -4.221 1.00 0.00 H new ATOM 912 N ARG A 60 -17.459 15.512 -6.336 1.00 0.00 N ATOM 913 CA ARG A 60 -17.599 16.680 -5.474 1.00 0.00 C ATOM 914 C ARG A 60 -18.293 17.821 -6.212 1.00 0.00 C ATOM 915 O ARG A 60 -19.155 18.499 -5.655 1.00 0.00 O ATOM 916 CB ARG A 60 -16.228 17.140 -4.975 1.00 0.00 C ATOM 917 CG ARG A 60 -15.265 17.506 -6.093 1.00 0.00 C ATOM 918 CD ARG A 60 -13.916 17.943 -5.545 1.00 0.00 C ATOM 919 NE ARG A 60 -13.256 18.907 -6.421 1.00 0.00 N ATOM 920 CZ ARG A 60 -11.941 19.096 -6.449 1.00 0.00 C ATOM 921 NH1 ARG A 60 -11.150 18.389 -5.653 1.00 0.00 N ATOM 922 NH2 ARG A 60 -11.415 19.992 -7.274 1.00 0.00 N ATOM 0 H ARG A 60 -16.511 15.140 -6.391 1.00 0.00 H new ATOM 0 HA ARG A 60 -18.213 16.397 -4.619 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -16.359 18.003 -4.322 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -15.786 16.348 -4.371 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -15.130 16.650 -6.754 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -15.692 18.309 -6.694 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.051 18.384 -4.557 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -13.276 17.070 -5.419 1.00 0.00 H new ATOM 0 HE ARG A 60 -13.837 19.466 -7.046 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -11.551 17.699 -5.018 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -10.141 18.535 -5.676 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -12.020 20.537 -7.888 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -10.405 20.136 -7.294 1.00 0.00 H new ATOM 936 N GLU A 61 -17.910 18.025 -7.469 1.00 0.00 N ATOM 937 CA GLU A 61 -18.495 19.084 -8.282 1.00 0.00 C ATOM 938 C GLU A 61 -19.994 19.203 -8.025 1.00 0.00 C ATOM 939 O GLU A 61 -20.541 20.305 -7.967 1.00 0.00 O ATOM 940 CB GLU A 61 -18.240 18.817 -9.767 1.00 0.00 C ATOM 941 CG GLU A 61 -16.875 19.283 -10.244 1.00 0.00 C ATOM 942 CD GLU A 61 -16.757 19.291 -11.756 1.00 0.00 C ATOM 943 OE1 GLU A 61 -17.395 20.152 -12.397 1.00 0.00 O ATOM 944 OE2 GLU A 61 -16.026 18.435 -12.297 1.00 0.00 O ATOM 0 H GLU A 61 -17.198 17.471 -7.945 1.00 0.00 H new ATOM 0 HA GLU A 61 -18.021 20.025 -8.003 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -18.336 17.748 -9.957 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -19.011 19.316 -10.355 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.684 20.286 -9.863 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -16.107 18.632 -9.827 1.00 0.00 H new ATOM 951 N LEU A 62 -20.654 18.060 -7.873 1.00 0.00 N ATOM 952 CA LEU A 62 -22.091 18.034 -7.623 1.00 0.00 C ATOM 953 C LEU A 62 -22.383 17.774 -6.148 1.00 0.00 C ATOM 954 O LEU A 62 -22.988 18.604 -5.468 1.00 0.00 O ATOM 955 CB LEU A 62 -22.760 16.960 -8.483 1.00 0.00 C ATOM 956 CG LEU A 62 -22.948 17.306 -9.961 1.00 0.00 C ATOM 957 CD1 LEU A 62 -22.929 16.044 -10.810 1.00 0.00 C ATOM 958 CD2 LEU A 62 -24.247 18.071 -10.168 1.00 0.00 C ATOM 0 H LEU A 62 -20.217 17.139 -7.918 1.00 0.00 H new ATOM 0 HA LEU A 62 -22.498 19.010 -7.889 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -22.167 16.048 -8.416 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -23.737 16.737 -8.055 1.00 0.00 H new ATOM 0 HG LEU A 62 -22.121 17.943 -10.274 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -23.064 16.309 -11.859 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -21.973 15.535 -10.684 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -23.736 15.382 -10.496 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -24.365 18.309 -11.225 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -25.086 17.459 -9.838 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -24.222 18.994 -9.589 1.00 0.00 H new ATOM 970 N HIS A 63 -21.946 16.618 -5.659 1.00 0.00 N ATOM 971 CA HIS A 63 -22.158 16.249 -4.263 1.00 0.00 C ATOM 972 C HIS A 63 -21.593 17.315 -3.329 1.00 0.00 C ATOM 973 O HIS A 63 -22.270 17.770 -2.408 1.00 0.00 O ATOM 974 CB HIS A 63 -21.508 14.898 -3.967 1.00 0.00 C ATOM 975 CG HIS A 63 -22.163 13.750 -4.672 1.00 0.00 C ATOM 976 ND1 HIS A 63 -21.993 13.268 -5.926 1.00 0.00 N flip ATOM 977 CD2 HIS A 63 -23.122 12.954 -4.083 1.00 0.00 C flip ATOM 978 CE1 HIS A 63 -22.843 12.200 -6.069 1.00 0.00 C flip ATOM 979 NE2 HIS A 63 -23.513 12.030 -4.944 1.00 0.00 N flip ATOM 0 H HIS A 63 -21.443 15.921 -6.208 1.00 0.00 H new ATOM 0 HA HIS A 63 -23.232 16.172 -4.091 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -20.458 14.939 -4.255 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -21.537 14.718 -2.892 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -23.495 13.067 -3.076 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -22.947 11.596 -6.958 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -24.213 11.309 -4.769 1.00 0.00 H new ATOM 988 N GLY A 64 -20.346 17.708 -3.572 1.00 0.00 N ATOM 989 CA GLY A 64 -19.711 18.716 -2.743 1.00 0.00 C ATOM 990 C GLY A 64 -18.444 18.210 -2.083 1.00 0.00 C ATOM 991 O GLY A 64 -17.822 17.249 -2.538 1.00 0.00 O ATOM 0 H GLY A 64 -19.764 17.346 -4.328 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -19.476 19.588 -3.353 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -20.411 19.044 -1.975 1.00 0.00 H new ATOM 995 N PRO A 65 -18.042 18.865 -0.984 1.00 0.00 N ATOM 996 CA PRO A 65 -16.837 18.494 -0.237 1.00 0.00 C ATOM 997 C PRO A 65 -16.994 17.165 0.494 1.00 0.00 C ATOM 998 O PRO A 65 -18.110 16.732 0.783 1.00 0.00 O ATOM 999 CB PRO A 65 -16.674 19.639 0.765 1.00 0.00 C ATOM 1000 CG PRO A 65 -18.048 20.186 0.942 1.00 0.00 C ATOM 1001 CD PRO A 65 -18.735 20.019 -0.385 1.00 0.00 C ATOM 0 HA PRO A 65 -15.977 18.358 -0.893 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.265 19.282 1.710 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -15.990 20.400 0.389 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -18.582 19.652 1.728 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -18.015 21.235 1.235 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -19.802 19.829 -0.264 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -18.638 20.911 -1.003 1.00 0.00 H new ATOM 1009 N PHE A 66 -15.870 16.521 0.790 1.00 0.00 N ATOM 1010 CA PHE A 66 -15.883 15.240 1.487 1.00 0.00 C ATOM 1011 C PHE A 66 -15.625 15.430 2.979 1.00 0.00 C ATOM 1012 O PHE A 66 -14.630 16.035 3.376 1.00 0.00 O ATOM 1013 CB PHE A 66 -14.831 14.301 0.892 1.00 0.00 C ATOM 1014 CG PHE A 66 -14.925 14.165 -0.600 1.00 0.00 C ATOM 1015 CD1 PHE A 66 -14.280 15.065 -1.433 1.00 0.00 C ATOM 1016 CD2 PHE A 66 -15.658 13.137 -1.171 1.00 0.00 C ATOM 1017 CE1 PHE A 66 -14.363 14.943 -2.807 1.00 0.00 C ATOM 1018 CE2 PHE A 66 -15.745 13.010 -2.544 1.00 0.00 C ATOM 1019 CZ PHE A 66 -15.098 13.914 -3.364 1.00 0.00 C ATOM 0 H PHE A 66 -14.938 16.865 0.558 1.00 0.00 H new ATOM 0 HA PHE A 66 -16.870 14.796 1.360 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -13.839 14.668 1.154 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -14.937 13.316 1.346 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -13.705 15.872 -1.003 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -16.167 12.427 -0.536 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -13.854 15.651 -3.445 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -16.319 12.204 -2.976 1.00 0.00 H new ATOM 0 HZ PHE A 66 -15.166 13.817 -4.437 1.00 0.00 H new ATOM 1029 N SER A 67 -16.531 14.910 3.801 1.00 0.00 N ATOM 1030 CA SER A 67 -16.406 15.025 5.249 1.00 0.00 C ATOM 1031 C SER A 67 -15.218 14.214 5.758 1.00 0.00 C ATOM 1032 O SER A 67 -14.722 14.446 6.860 1.00 0.00 O ATOM 1033 CB SER A 67 -17.691 14.553 5.932 1.00 0.00 C ATOM 1034 OG SER A 67 -18.652 15.593 5.985 1.00 0.00 O ATOM 0 H SER A 67 -17.360 14.405 3.488 1.00 0.00 H new ATOM 0 HA SER A 67 -16.238 16.074 5.492 1.00 0.00 H new ATOM 0 HB2 SER A 67 -18.102 13.701 5.391 1.00 0.00 H new ATOM 0 HB3 SER A 67 -17.465 14.210 6.942 1.00 0.00 H new ATOM 0 HG SER A 67 -19.464 15.266 6.424 1.00 0.00 H new ATOM 1040 N GLN A 68 -14.768 13.263 4.946 1.00 0.00 N ATOM 1041 CA GLN A 68 -13.639 12.417 5.314 1.00 0.00 C ATOM 1042 C GLN A 68 -13.119 11.647 4.105 1.00 0.00 C ATOM 1043 O GLN A 68 -13.873 11.336 3.182 1.00 0.00 O ATOM 1044 CB GLN A 68 -14.045 11.440 6.419 1.00 0.00 C ATOM 1045 CG GLN A 68 -15.173 10.503 6.018 1.00 0.00 C ATOM 1046 CD GLN A 68 -15.877 9.892 7.214 1.00 0.00 C ATOM 1047 OE1 GLN A 68 -16.918 10.381 7.652 1.00 0.00 O ATOM 1048 NE2 GLN A 68 -15.310 8.817 7.749 1.00 0.00 N ATOM 0 H GLN A 68 -15.167 13.059 4.030 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.841 13.061 5.683 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -13.176 10.847 6.706 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -14.350 12.006 7.299 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -15.898 11.050 5.415 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -14.773 9.706 5.391 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.447 8.445 7.353 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.738 8.363 8.556 1.00 0.00 H new ATOM 1057 N VAL A 69 -11.825 11.342 4.115 1.00 0.00 N ATOM 1058 CA VAL A 69 -11.204 10.607 3.019 1.00 0.00 C ATOM 1059 C VAL A 69 -11.977 9.331 2.706 1.00 0.00 C ATOM 1060 O VAL A 69 -12.161 8.975 1.542 1.00 0.00 O ATOM 1061 CB VAL A 69 -9.743 10.243 3.344 1.00 0.00 C ATOM 1062 CG1 VAL A 69 -9.039 9.707 2.107 1.00 0.00 C ATOM 1063 CG2 VAL A 69 -9.007 11.450 3.906 1.00 0.00 C ATOM 0 H VAL A 69 -11.186 11.593 4.870 1.00 0.00 H new ATOM 0 HA VAL A 69 -11.222 11.262 2.148 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.741 9.459 4.102 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.008 9.455 2.356 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.555 8.815 1.752 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.049 10.466 1.325 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.976 11.176 4.130 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.017 12.256 3.172 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.500 11.784 4.819 1.00 0.00 H new ATOM 1073 N GLU A 70 -12.427 8.646 3.752 1.00 0.00 N ATOM 1074 CA GLU A 70 -13.180 7.408 3.588 1.00 0.00 C ATOM 1075 C GLU A 70 -14.257 7.564 2.517 1.00 0.00 C ATOM 1076 O GLU A 70 -14.555 6.624 1.781 1.00 0.00 O ATOM 1077 CB GLU A 70 -13.821 6.995 4.914 1.00 0.00 C ATOM 1078 CG GLU A 70 -14.152 5.514 4.995 1.00 0.00 C ATOM 1079 CD GLU A 70 -12.914 4.639 5.004 1.00 0.00 C ATOM 1080 OE1 GLU A 70 -12.276 4.501 3.940 1.00 0.00 O ATOM 1081 OE2 GLU A 70 -12.583 4.092 6.077 1.00 0.00 O ATOM 0 H GLU A 70 -12.283 8.927 4.722 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.486 6.630 3.271 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.146 7.253 5.730 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.734 7.571 5.061 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.733 5.324 5.898 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.780 5.239 4.148 1.00 0.00 H new ATOM 1088 N ASP A 71 -14.836 8.757 2.439 1.00 0.00 N ATOM 1089 CA ASP A 71 -15.879 9.038 1.459 1.00 0.00 C ATOM 1090 C ASP A 71 -15.513 8.461 0.095 1.00 0.00 C ATOM 1091 O ASP A 71 -16.380 8.000 -0.649 1.00 0.00 O ATOM 1092 CB ASP A 71 -16.107 10.546 1.344 1.00 0.00 C ATOM 1093 CG ASP A 71 -16.879 11.106 2.522 1.00 0.00 C ATOM 1094 OD1 ASP A 71 -16.906 10.446 3.582 1.00 0.00 O ATOM 1095 OD2 ASP A 71 -17.455 12.206 2.385 1.00 0.00 O ATOM 0 H ASP A 71 -14.601 9.545 3.042 1.00 0.00 H new ATOM 0 HA ASP A 71 -16.800 8.564 1.799 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.144 11.052 1.271 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.650 10.759 0.423 1.00 0.00 H new ATOM 1100 N LEU A 72 -14.224 8.489 -0.227 1.00 0.00 N ATOM 1101 CA LEU A 72 -13.743 7.969 -1.502 1.00 0.00 C ATOM 1102 C LEU A 72 -14.441 6.660 -1.855 1.00 0.00 C ATOM 1103 O LEU A 72 -14.902 6.476 -2.981 1.00 0.00 O ATOM 1104 CB LEU A 72 -12.229 7.755 -1.449 1.00 0.00 C ATOM 1105 CG LEU A 72 -11.371 9.021 -1.463 1.00 0.00 C ATOM 1106 CD1 LEU A 72 -9.907 8.677 -1.238 1.00 0.00 C ATOM 1107 CD2 LEU A 72 -11.549 9.771 -2.775 1.00 0.00 C ATOM 0 H LEU A 72 -13.494 8.866 0.377 1.00 0.00 H new ATOM 0 HA LEU A 72 -13.974 8.702 -2.275 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.993 7.191 -0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.940 7.135 -2.298 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.699 9.668 -0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.312 9.590 -1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.793 8.184 -0.273 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.564 8.010 -2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.931 10.669 -2.767 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.248 9.130 -3.604 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.595 10.052 -2.895 1.00 0.00 H new ATOM 1119 N GLU A 73 -14.516 5.755 -0.884 1.00 0.00 N ATOM 1120 CA GLU A 73 -15.159 4.463 -1.093 1.00 0.00 C ATOM 1121 C GLU A 73 -16.464 4.624 -1.867 1.00 0.00 C ATOM 1122 O GLU A 73 -16.738 3.876 -2.806 1.00 0.00 O ATOM 1123 CB GLU A 73 -15.431 3.780 0.249 1.00 0.00 C ATOM 1124 CG GLU A 73 -15.919 2.348 0.116 1.00 0.00 C ATOM 1125 CD GLU A 73 -16.756 1.904 1.301 1.00 0.00 C ATOM 1126 OE1 GLU A 73 -16.338 2.155 2.450 1.00 0.00 O ATOM 1127 OE2 GLU A 73 -17.829 1.305 1.077 1.00 0.00 O ATOM 0 H GLU A 73 -14.140 5.893 0.054 1.00 0.00 H new ATOM 0 HA GLU A 73 -14.483 3.840 -1.679 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.517 3.790 0.844 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -16.174 4.359 0.797 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -16.508 2.252 -0.796 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.061 1.684 0.013 1.00 0.00 H new ATOM 1134 N ARG A 74 -17.266 5.605 -1.466 1.00 0.00 N ATOM 1135 CA ARG A 74 -18.543 5.864 -2.120 1.00 0.00 C ATOM 1136 C ARG A 74 -18.338 6.228 -3.588 1.00 0.00 C ATOM 1137 O ARG A 74 -19.098 5.800 -4.456 1.00 0.00 O ATOM 1138 CB ARG A 74 -19.288 6.991 -1.403 1.00 0.00 C ATOM 1139 CG ARG A 74 -19.622 6.676 0.045 1.00 0.00 C ATOM 1140 CD ARG A 74 -20.387 7.815 0.702 1.00 0.00 C ATOM 1141 NE ARG A 74 -21.207 7.352 1.818 1.00 0.00 N ATOM 1142 CZ ARG A 74 -22.373 6.734 1.667 1.00 0.00 C ATOM 1143 NH1 ARG A 74 -22.854 6.506 0.453 1.00 0.00 N ATOM 1144 NH2 ARG A 74 -23.061 6.343 2.732 1.00 0.00 N ATOM 0 H ARG A 74 -17.054 6.234 -0.691 1.00 0.00 H new ATOM 0 HA ARG A 74 -19.140 4.954 -2.069 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -18.681 7.896 -1.438 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -20.211 7.205 -1.942 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -20.216 5.763 0.092 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -18.702 6.487 0.599 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -19.683 8.567 1.057 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -21.023 8.299 -0.039 1.00 0.00 H new ATOM 0 HE ARG A 74 -20.866 7.512 2.766 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -22.328 6.805 -0.368 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -23.750 6.031 0.340 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -22.695 6.517 3.668 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -23.956 5.869 2.615 1.00 0.00 H new ATOM 1158 N VAL A 75 -17.306 7.021 -3.857 1.00 0.00 N ATOM 1159 CA VAL A 75 -17.001 7.442 -5.219 1.00 0.00 C ATOM 1160 C VAL A 75 -16.936 6.247 -6.163 1.00 0.00 C ATOM 1161 O VAL A 75 -16.288 5.244 -5.865 1.00 0.00 O ATOM 1162 CB VAL A 75 -15.665 8.206 -5.284 1.00 0.00 C ATOM 1163 CG1 VAL A 75 -15.362 8.632 -6.712 1.00 0.00 C ATOM 1164 CG2 VAL A 75 -15.695 9.411 -4.355 1.00 0.00 C ATOM 0 H VAL A 75 -16.667 7.385 -3.150 1.00 0.00 H new ATOM 0 HA VAL A 75 -17.807 8.105 -5.533 1.00 0.00 H new ATOM 0 HB VAL A 75 -14.869 7.539 -4.952 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -14.415 9.170 -6.738 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -15.296 7.750 -7.349 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -16.158 9.282 -7.075 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.743 9.939 -4.413 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -16.501 10.081 -4.654 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -15.862 9.077 -3.331 1.00 0.00 H new ATOM 1174 N GLU A 76 -17.612 6.361 -7.301 1.00 0.00 N ATOM 1175 CA GLU A 76 -17.631 5.288 -8.289 1.00 0.00 C ATOM 1176 C GLU A 76 -16.219 4.969 -8.773 1.00 0.00 C ATOM 1177 O GLU A 76 -15.379 5.859 -8.900 1.00 0.00 O ATOM 1178 CB GLU A 76 -18.514 5.674 -9.477 1.00 0.00 C ATOM 1179 CG GLU A 76 -19.985 5.351 -9.273 1.00 0.00 C ATOM 1180 CD GLU A 76 -20.281 3.870 -9.408 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -19.757 3.244 -10.353 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -21.036 3.336 -8.569 1.00 0.00 O ATOM 0 H GLU A 76 -18.154 7.185 -7.562 1.00 0.00 H new ATOM 0 HA GLU A 76 -18.043 4.398 -7.813 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -18.408 6.742 -9.665 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -18.157 5.156 -10.367 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -20.294 5.691 -8.285 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -20.579 5.904 -10.000 1.00 0.00 H new ATOM 1189 N GLY A 77 -15.966 3.692 -9.041 1.00 0.00 N ATOM 1190 CA GLY A 77 -14.656 3.277 -9.508 1.00 0.00 C ATOM 1191 C GLY A 77 -13.669 3.091 -8.373 1.00 0.00 C ATOM 1192 O GLY A 77 -12.802 2.219 -8.432 1.00 0.00 O ATOM 0 H GLY A 77 -16.645 2.937 -8.943 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.750 2.342 -10.061 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -14.269 4.021 -10.204 1.00 0.00 H new ATOM 1196 N ILE A 78 -13.799 3.914 -7.337 1.00 0.00 N ATOM 1197 CA ILE A 78 -12.910 3.836 -6.184 1.00 0.00 C ATOM 1198 C ILE A 78 -13.597 3.155 -5.006 1.00 0.00 C ATOM 1199 O ILE A 78 -14.599 3.648 -4.486 1.00 0.00 O ATOM 1200 CB ILE A 78 -12.431 5.234 -5.747 1.00 0.00 C ATOM 1201 CG1 ILE A 78 -11.640 5.901 -6.874 1.00 0.00 C ATOM 1202 CG2 ILE A 78 -11.587 5.133 -4.486 1.00 0.00 C ATOM 1203 CD1 ILE A 78 -11.370 7.370 -6.634 1.00 0.00 C ATOM 0 H ILE A 78 -14.511 4.642 -7.273 1.00 0.00 H new ATOM 0 HA ILE A 78 -12.047 3.244 -6.490 1.00 0.00 H new ATOM 0 HB ILE A 78 -13.303 5.850 -5.528 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -10.690 5.381 -6.998 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -12.189 5.789 -7.809 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.256 6.128 -4.189 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.181 4.694 -3.685 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.718 4.504 -4.679 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -10.806 7.778 -7.472 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.316 7.903 -6.540 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.794 7.489 -5.717 1.00 0.00 H new ATOM 1215 N THR A 79 -13.051 2.018 -4.586 1.00 0.00 N ATOM 1216 CA THR A 79 -13.610 1.268 -3.468 1.00 0.00 C ATOM 1217 C THR A 79 -12.778 1.461 -2.206 1.00 0.00 C ATOM 1218 O THR A 79 -11.713 2.077 -2.240 1.00 0.00 O ATOM 1219 CB THR A 79 -13.695 -0.236 -3.788 1.00 0.00 C ATOM 1220 OG1 THR A 79 -14.198 -0.950 -2.653 1.00 0.00 O ATOM 1221 CG2 THR A 79 -12.331 -0.786 -4.175 1.00 0.00 C ATOM 0 H THR A 79 -12.222 1.596 -5.004 1.00 0.00 H new ATOM 0 HA THR A 79 -14.615 1.654 -3.299 1.00 0.00 H new ATOM 0 HB THR A 79 -14.374 -0.368 -4.631 1.00 0.00 H new ATOM 0 HG1 THR A 79 -14.251 -1.905 -2.865 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.417 -1.850 -4.396 1.00 0.00 H new ATOM 0 HG22 THR A 79 -11.964 -0.261 -5.056 1.00 0.00 H new ATOM 0 HG23 THR A 79 -11.633 -0.642 -3.350 1.00 0.00 H new ATOM 1229 N GLY A 80 -13.270 0.930 -1.091 1.00 0.00 N ATOM 1230 CA GLY A 80 -12.558 1.055 0.168 1.00 0.00 C ATOM 1231 C GLY A 80 -11.128 0.561 0.076 1.00 0.00 C ATOM 1232 O GLY A 80 -10.259 1.011 0.823 1.00 0.00 O ATOM 0 H GLY A 80 -14.149 0.415 -1.037 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.559 2.099 0.481 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.085 0.491 0.938 1.00 0.00 H new ATOM 1236 N LYS A 81 -10.883 -0.369 -0.840 1.00 0.00 N ATOM 1237 CA LYS A 81 -9.548 -0.926 -1.027 1.00 0.00 C ATOM 1238 C LYS A 81 -8.645 0.061 -1.760 1.00 0.00 C ATOM 1239 O LYS A 81 -7.692 0.587 -1.185 1.00 0.00 O ATOM 1240 CB LYS A 81 -9.627 -2.239 -1.809 1.00 0.00 C ATOM 1241 CG LYS A 81 -10.193 -3.395 -1.002 1.00 0.00 C ATOM 1242 CD LYS A 81 -9.204 -3.881 0.044 1.00 0.00 C ATOM 1243 CE LYS A 81 -8.266 -4.936 -0.522 1.00 0.00 C ATOM 1244 NZ LYS A 81 -7.270 -5.391 0.486 1.00 0.00 N ATOM 0 H LYS A 81 -11.591 -0.753 -1.465 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.121 -1.121 -0.043 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.245 -2.088 -2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.629 -2.505 -2.158 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.116 -3.082 -0.514 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -10.449 -4.216 -1.671 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.622 -3.037 0.416 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -9.746 -4.294 0.895 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.847 -5.790 -0.869 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.745 -4.531 -1.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.650 -6.110 0.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.698 -4.581 0.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.766 -5.801 1.303 1.00 0.00 H new ATOM 1258 N GLN A 82 -8.950 0.307 -3.029 1.00 0.00 N ATOM 1259 CA GLN A 82 -8.165 1.231 -3.839 1.00 0.00 C ATOM 1260 C GLN A 82 -7.797 2.476 -3.039 1.00 0.00 C ATOM 1261 O GLN A 82 -6.646 2.912 -3.046 1.00 0.00 O ATOM 1262 CB GLN A 82 -8.942 1.628 -5.095 1.00 0.00 C ATOM 1263 CG GLN A 82 -9.177 0.473 -6.055 1.00 0.00 C ATOM 1264 CD GLN A 82 -8.064 0.325 -7.074 1.00 0.00 C ATOM 1265 OE1 GLN A 82 -7.436 1.306 -7.472 1.00 0.00 O ATOM 1266 NE2 GLN A 82 -7.814 -0.907 -7.502 1.00 0.00 N ATOM 0 H GLN A 82 -9.736 -0.121 -3.519 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.245 0.726 -4.135 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.904 2.046 -4.800 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.398 2.417 -5.615 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -9.270 -0.453 -5.487 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.123 0.625 -6.575 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.360 -1.691 -7.145 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.076 -1.069 -8.188 1.00 0.00 H new ATOM 1275 N MET A 83 -8.782 3.045 -2.352 1.00 0.00 N ATOM 1276 CA MET A 83 -8.560 4.240 -1.546 1.00 0.00 C ATOM 1277 C MET A 83 -7.699 3.923 -0.328 1.00 0.00 C ATOM 1278 O MET A 83 -6.946 4.772 0.148 1.00 0.00 O ATOM 1279 CB MET A 83 -9.897 4.835 -1.100 1.00 0.00 C ATOM 1280 CG MET A 83 -10.637 3.976 -0.087 1.00 0.00 C ATOM 1281 SD MET A 83 -10.043 4.223 1.598 1.00 0.00 S ATOM 1282 CE MET A 83 -10.280 5.988 1.786 1.00 0.00 C ATOM 0 H MET A 83 -9.741 2.698 -2.337 1.00 0.00 H new ATOM 0 HA MET A 83 -8.033 4.970 -2.160 1.00 0.00 H new ATOM 0 HB2 MET A 83 -9.721 5.820 -0.669 1.00 0.00 H new ATOM 0 HB3 MET A 83 -10.531 4.979 -1.975 1.00 0.00 H new ATOM 0 HG2 MET A 83 -11.702 4.206 -0.130 1.00 0.00 H new ATOM 0 HG3 MET A 83 -10.526 2.926 -0.357 1.00 0.00 H new ATOM 0 HE1 MET A 83 -10.304 6.241 2.846 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.458 6.519 1.305 1.00 0.00 H new ATOM 0 HE3 MET A 83 -11.222 6.280 1.322 1.00 0.00 H new ATOM 1292 N GLU A 84 -7.816 2.697 0.171 1.00 0.00 N ATOM 1293 CA GLU A 84 -7.048 2.270 1.335 1.00 0.00 C ATOM 1294 C GLU A 84 -5.567 2.141 0.992 1.00 0.00 C ATOM 1295 O GLU A 84 -4.707 2.659 1.705 1.00 0.00 O ATOM 1296 CB GLU A 84 -7.579 0.934 1.861 1.00 0.00 C ATOM 1297 CG GLU A 84 -8.675 1.083 2.903 1.00 0.00 C ATOM 1298 CD GLU A 84 -8.127 1.227 4.310 1.00 0.00 C ATOM 1299 OE1 GLU A 84 -7.742 0.197 4.904 1.00 0.00 O ATOM 1300 OE2 GLU A 84 -8.082 2.367 4.816 1.00 0.00 O ATOM 0 H GLU A 84 -8.435 1.982 -0.212 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.159 3.028 2.110 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.962 0.350 1.024 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.753 0.369 2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.283 1.955 2.663 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.332 0.215 2.860 1.00 0.00 H new ATOM 1307 N SER A 85 -5.277 1.447 -0.104 1.00 0.00 N ATOM 1308 CA SER A 85 -3.900 1.247 -0.539 1.00 0.00 C ATOM 1309 C SER A 85 -3.230 2.581 -0.854 1.00 0.00 C ATOM 1310 O SER A 85 -2.027 2.748 -0.649 1.00 0.00 O ATOM 1311 CB SER A 85 -3.859 0.339 -1.770 1.00 0.00 C ATOM 1312 OG SER A 85 -4.023 -1.021 -1.407 1.00 0.00 O ATOM 0 H SER A 85 -5.977 1.014 -0.707 1.00 0.00 H new ATOM 0 HA SER A 85 -3.354 0.770 0.274 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.645 0.630 -2.467 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.909 0.468 -2.289 1.00 0.00 H new ATOM 0 HG SER A 85 -3.995 -1.580 -2.211 1.00 0.00 H new ATOM 1318 N PHE A 86 -4.017 3.527 -1.354 1.00 0.00 N ATOM 1319 CA PHE A 86 -3.501 4.847 -1.699 1.00 0.00 C ATOM 1320 C PHE A 86 -3.118 5.626 -0.445 1.00 0.00 C ATOM 1321 O PHE A 86 -1.969 6.039 -0.284 1.00 0.00 O ATOM 1322 CB PHE A 86 -4.542 5.631 -2.502 1.00 0.00 C ATOM 1323 CG PHE A 86 -4.418 7.120 -2.351 1.00 0.00 C ATOM 1324 CD1 PHE A 86 -3.209 7.755 -2.588 1.00 0.00 C ATOM 1325 CD2 PHE A 86 -5.510 7.885 -1.974 1.00 0.00 C ATOM 1326 CE1 PHE A 86 -3.092 9.125 -2.449 1.00 0.00 C ATOM 1327 CE2 PHE A 86 -5.399 9.256 -1.834 1.00 0.00 C ATOM 1328 CZ PHE A 86 -4.189 9.877 -2.073 1.00 0.00 C ATOM 0 H PHE A 86 -5.014 3.405 -1.530 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.608 4.712 -2.309 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -4.447 5.372 -3.556 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -5.539 5.324 -2.187 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.349 7.173 -2.885 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.459 7.405 -1.787 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.144 9.608 -2.634 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -6.258 9.841 -1.538 1.00 0.00 H new ATOM 0 HZ PHE A 86 -4.100 10.948 -1.966 1.00 0.00 H new ATOM 1338 N LEU A 87 -4.087 5.823 0.441 1.00 0.00 N ATOM 1339 CA LEU A 87 -3.853 6.553 1.683 1.00 0.00 C ATOM 1340 C LEU A 87 -2.523 6.148 2.310 1.00 0.00 C ATOM 1341 O LEU A 87 -1.784 6.988 2.823 1.00 0.00 O ATOM 1342 CB LEU A 87 -4.994 6.300 2.670 1.00 0.00 C ATOM 1343 CG LEU A 87 -6.287 7.075 2.414 1.00 0.00 C ATOM 1344 CD1 LEU A 87 -7.487 6.295 2.928 1.00 0.00 C ATOM 1345 CD2 LEU A 87 -6.223 8.449 3.066 1.00 0.00 C ATOM 0 H LEU A 87 -5.043 5.488 0.323 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.814 7.617 1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.225 5.235 2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.641 6.542 3.672 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.401 7.210 1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.398 6.862 2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.543 5.335 2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.381 6.129 4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.151 8.987 2.874 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.086 8.335 4.141 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.386 9.010 2.651 1.00 0.00 H new ATOM 1357 N LYS A 88 -2.223 4.854 2.263 1.00 0.00 N ATOM 1358 CA LYS A 88 -0.980 4.336 2.823 1.00 0.00 C ATOM 1359 C LYS A 88 0.229 4.936 2.112 1.00 0.00 C ATOM 1360 O LYS A 88 1.075 5.574 2.737 1.00 0.00 O ATOM 1361 CB LYS A 88 -0.945 2.810 2.713 1.00 0.00 C ATOM 1362 CG LYS A 88 0.299 2.185 3.321 1.00 0.00 C ATOM 1363 CD LYS A 88 0.077 0.722 3.665 1.00 0.00 C ATOM 1364 CE LYS A 88 0.279 -0.173 2.452 1.00 0.00 C ATOM 1365 NZ LYS A 88 -0.245 -1.547 2.683 1.00 0.00 N ATOM 0 H LYS A 88 -2.824 4.145 1.843 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.938 4.620 3.875 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.826 2.398 3.205 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -1.006 2.528 1.662 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.130 2.273 2.622 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.580 2.733 4.221 1.00 0.00 H new ATOM 0 HD2 LYS A 88 0.765 0.425 4.456 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.933 0.588 4.053 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.222 0.266 1.589 1.00 0.00 H new ATOM 0 HE3 LYS A 88 1.341 -0.225 2.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.088 -2.126 1.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 0.250 -1.976 3.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -1.264 -1.500 2.887 1.00 0.00 H new ATOM 1379 N ALA A 89 0.303 4.726 0.801 1.00 0.00 N ATOM 1380 CA ALA A 89 1.406 5.249 0.005 1.00 0.00 C ATOM 1381 C ALA A 89 1.877 6.598 0.538 1.00 0.00 C ATOM 1382 O ALA A 89 3.022 6.744 0.962 1.00 0.00 O ATOM 1383 CB ALA A 89 0.993 5.371 -1.454 1.00 0.00 C ATOM 0 H ALA A 89 -0.388 4.197 0.269 1.00 0.00 H new ATOM 0 HA ALA A 89 2.238 4.548 0.078 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.827 5.763 -2.037 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.713 4.389 -1.836 1.00 0.00 H new ATOM 0 HB3 ALA A 89 0.143 6.048 -1.536 1.00 0.00 H new ATOM 1389 N ASN A 90 0.984 7.583 0.513 1.00 0.00 N ATOM 1390 CA ASN A 90 1.309 8.921 0.992 1.00 0.00 C ATOM 1391 C ASN A 90 1.565 8.913 2.496 1.00 0.00 C ATOM 1392 O ASN A 90 2.657 9.253 2.952 1.00 0.00 O ATOM 1393 CB ASN A 90 0.174 9.893 0.662 1.00 0.00 C ATOM 1394 CG ASN A 90 0.630 11.340 0.673 1.00 0.00 C ATOM 1395 OD1 ASN A 90 1.512 11.730 -0.092 1.00 0.00 O ATOM 1396 ND2 ASN A 90 0.030 12.143 1.544 1.00 0.00 N ATOM 0 H ASN A 90 0.030 7.479 0.166 1.00 0.00 H new ATOM 0 HA ASN A 90 2.218 9.249 0.488 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.234 9.651 -0.319 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -0.633 9.764 1.383 1.00 0.00 H new ATOM 0 HD21 ASN A 90 0.296 13.126 1.598 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -0.696 11.776 2.159 1.00 0.00 H new ATOM 1403 N ILE A 91 0.552 8.522 3.261 1.00 0.00 N ATOM 1404 CA ILE A 91 0.668 8.468 4.713 1.00 0.00 C ATOM 1405 C ILE A 91 2.017 7.897 5.136 1.00 0.00 C ATOM 1406 O ILE A 91 2.856 8.605 5.694 1.00 0.00 O ATOM 1407 CB ILE A 91 -0.455 7.617 5.336 1.00 0.00 C ATOM 1408 CG1 ILE A 91 -1.780 8.381 5.306 1.00 0.00 C ATOM 1409 CG2 ILE A 91 -0.094 7.226 6.762 1.00 0.00 C ATOM 1410 CD1 ILE A 91 -2.979 7.524 5.645 1.00 0.00 C ATOM 0 H ILE A 91 -0.359 8.238 2.900 1.00 0.00 H new ATOM 0 HA ILE A 91 0.580 9.492 5.075 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.570 6.706 4.748 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.727 9.212 6.009 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.920 8.811 4.314 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.897 6.625 7.189 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.830 6.647 6.758 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.044 8.125 7.362 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.883 8.131 5.604 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.057 6.708 4.927 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.862 7.115 6.648 1.00 0.00 H new ATOM 1422 N LEU A 92 2.221 6.612 4.865 1.00 0.00 N ATOM 1423 CA LEU A 92 3.470 5.945 5.215 1.00 0.00 C ATOM 1424 C LEU A 92 4.652 6.593 4.500 1.00 0.00 C ATOM 1425 O LEU A 92 5.788 6.524 4.969 1.00 0.00 O ATOM 1426 CB LEU A 92 3.396 4.460 4.858 1.00 0.00 C ATOM 1427 CG LEU A 92 2.543 3.589 5.782 1.00 0.00 C ATOM 1428 CD1 LEU A 92 2.762 2.115 5.479 1.00 0.00 C ATOM 1429 CD2 LEU A 92 2.861 3.889 7.239 1.00 0.00 C ATOM 0 H LEU A 92 1.537 6.012 4.404 1.00 0.00 H new ATOM 0 HA LEU A 92 3.618 6.047 6.290 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.006 4.370 3.844 1.00 0.00 H new ATOM 0 HB3 LEU A 92 4.409 4.059 4.847 1.00 0.00 H new ATOM 0 HG LEU A 92 1.493 3.823 5.604 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.147 1.511 6.146 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.484 1.911 4.445 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.812 1.865 5.628 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.245 3.261 7.883 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.914 3.684 7.431 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.652 4.938 7.449 1.00 0.00 H new ATOM 1441 N GLY A 93 4.376 7.224 3.363 1.00 0.00 N ATOM 1442 CA GLY A 93 5.426 7.877 2.604 1.00 0.00 C ATOM 1443 C GLY A 93 5.873 9.181 3.234 1.00 0.00 C ATOM 1444 O GLY A 93 7.020 9.599 3.069 1.00 0.00 O ATOM 0 H GLY A 93 3.444 7.295 2.954 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.281 7.206 2.521 1.00 0.00 H new ATOM 0 HA3 GLY A 93 5.072 8.069 1.591 1.00 0.00 H new ATOM 1448 N LEU A 94 4.965 9.828 3.957 1.00 0.00 N ATOM 1449 CA LEU A 94 5.271 11.094 4.614 1.00 0.00 C ATOM 1450 C LEU A 94 6.482 10.954 5.531 1.00 0.00 C ATOM 1451 O LEU A 94 7.371 11.805 5.536 1.00 0.00 O ATOM 1452 CB LEU A 94 4.062 11.580 5.417 1.00 0.00 C ATOM 1453 CG LEU A 94 3.018 12.381 4.639 1.00 0.00 C ATOM 1454 CD1 LEU A 94 1.661 12.293 5.320 1.00 0.00 C ATOM 1455 CD2 LEU A 94 3.454 13.833 4.501 1.00 0.00 C ATOM 0 H LEU A 94 4.011 9.497 4.103 1.00 0.00 H new ATOM 0 HA LEU A 94 5.506 11.827 3.843 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.571 10.712 5.857 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.422 12.195 6.242 1.00 0.00 H new ATOM 0 HG LEU A 94 2.929 11.952 3.641 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.931 12.869 4.752 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.344 11.251 5.367 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.734 12.695 6.330 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.699 14.388 3.945 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.572 14.273 5.491 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.404 13.879 3.968 1.00 0.00 H new