USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 676 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 80 ASN : amide:sc= -1.43 K(o=-1.9,f=-9.9!) USER MOD Set 1.2: A 83 MET CE :methyl -135:sc= -0.509 (180deg=-0.652) USER MOD Single : A 14 LYS NZ :NH3+ -155:sc= -0.0873 (180deg=-0.802) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.619 X(o=-0.62,f=-0.79) USER MOD Single : A 18 SER OG : rot 37:sc= 0.351 USER MOD Single : A 20 HIS : no HD1:sc= -0.454 K(o=-0.45,f=-1.1) USER MOD Single : A 23 LYS NZ :NH3+ -172:sc= -2.74 (180deg=-2.93) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 157:sc= 1.03 USER MOD Single : A 34 SER OG : rot 180:sc= -0.108 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot -158:sc= 1.21 USER MOD Single : A 49 ASN : amide:sc= -2.42! C(o=-2.4!,f=-5!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -132:sc= -0.0493 (180deg=-2.03!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -123:sc= -0.555 (180deg=-1.68) USER MOD Single : A 60 LYS NZ :NH3+ 146:sc= 0.128 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.211 X(o=-0.21,f=0) USER MOD Single : A 73 ASN : amide:sc=-0.00489 X(o=-0.0049,f=-0.0049) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 152:sc= -0.112 (180deg=-0.805) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.1 K(o=-0.1,f=-1.7!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.0977 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 159 N LYS A 14 -18.147 -5.462 -14.690 1.00 0.00 N ATOM 160 CA LYS A 14 -17.252 -4.364 -14.344 1.00 0.00 C ATOM 161 C LYS A 14 -16.025 -4.357 -15.250 1.00 0.00 C ATOM 162 O LYS A 14 -15.767 -5.321 -15.970 1.00 0.00 O ATOM 163 CB LYS A 14 -16.819 -4.474 -12.881 1.00 0.00 C ATOM 164 CG LYS A 14 -17.806 -3.857 -11.906 1.00 0.00 C ATOM 165 CD LYS A 14 -18.858 -4.862 -11.467 1.00 0.00 C ATOM 166 CE LYS A 14 -18.409 -5.637 -10.238 1.00 0.00 C ATOM 167 NZ LYS A 14 -17.670 -6.877 -10.604 1.00 0.00 N ATOM 0 HA LYS A 14 -17.792 -3.428 -14.487 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -16.682 -5.526 -12.630 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.850 -3.989 -12.760 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -17.271 -3.484 -11.033 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -18.292 -3.000 -12.372 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -19.791 -4.342 -11.250 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -19.062 -5.556 -12.282 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -17.772 -5.003 -9.622 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -19.279 -5.897 -9.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.748 -7.569 -9.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -18.077 -7.280 -11.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -16.668 -6.649 -10.765 1.00 0.00 H new ATOM 181 N VAL A 15 -15.270 -3.264 -15.207 1.00 0.00 N ATOM 182 CA VAL A 15 -14.068 -3.133 -16.022 1.00 0.00 C ATOM 183 C VAL A 15 -12.897 -2.615 -15.195 1.00 0.00 C ATOM 184 O VAL A 15 -13.061 -1.738 -14.346 1.00 0.00 O ATOM 185 CB VAL A 15 -14.299 -2.185 -17.214 1.00 0.00 C ATOM 186 CG1 VAL A 15 -15.299 -2.787 -18.189 1.00 0.00 C ATOM 187 CG2 VAL A 15 -14.769 -0.822 -16.728 1.00 0.00 C ATOM 0 H VAL A 15 -15.469 -2.457 -14.617 1.00 0.00 H new ATOM 0 HA VAL A 15 -13.831 -4.128 -16.399 1.00 0.00 H new ATOM 0 HB VAL A 15 -13.353 -2.051 -17.738 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -15.449 -2.103 -19.024 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -14.917 -3.737 -18.562 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -16.249 -2.953 -17.680 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -14.927 -0.165 -17.584 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -15.704 -0.934 -16.179 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -14.013 -0.389 -16.073 1.00 0.00 H new ATOM 197 N THR A 16 -11.712 -3.163 -15.448 1.00 0.00 N ATOM 198 CA THR A 16 -10.513 -2.757 -14.726 1.00 0.00 C ATOM 199 C THR A 16 -9.809 -1.605 -15.434 1.00 0.00 C ATOM 200 O THR A 16 -9.968 -1.415 -16.639 1.00 0.00 O ATOM 201 CB THR A 16 -9.526 -3.930 -14.573 1.00 0.00 C ATOM 202 OG1 THR A 16 -9.242 -4.502 -15.854 1.00 0.00 O ATOM 203 CG2 THR A 16 -10.093 -4.997 -13.649 1.00 0.00 C ATOM 0 H THR A 16 -11.558 -3.889 -16.148 1.00 0.00 H new ATOM 0 HA THR A 16 -10.834 -2.430 -13.737 1.00 0.00 H new ATOM 0 HB THR A 16 -8.604 -3.546 -14.136 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.613 -5.246 -15.748 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.379 -5.815 -13.556 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.280 -4.565 -12.666 1.00 0.00 H new ATOM 0 HG23 THR A 16 -11.028 -5.377 -14.062 1.00 0.00 H new ATOM 211 N GLN A 17 -9.030 -0.839 -14.676 1.00 0.00 N ATOM 212 CA GLN A 17 -8.302 0.295 -15.233 1.00 0.00 C ATOM 213 C GLN A 17 -6.906 0.397 -14.626 1.00 0.00 C ATOM 214 O GLN A 17 -6.739 0.298 -13.410 1.00 0.00 O ATOM 215 CB GLN A 17 -9.073 1.594 -14.988 1.00 0.00 C ATOM 216 CG GLN A 17 -9.070 2.038 -13.534 1.00 0.00 C ATOM 217 CD GLN A 17 -9.802 3.349 -13.323 1.00 0.00 C ATOM 218 OE1 GLN A 17 -9.612 4.307 -14.074 1.00 0.00 O ATOM 219 NE2 GLN A 17 -10.644 3.399 -12.298 1.00 0.00 N ATOM 0 H GLN A 17 -8.887 -0.983 -13.676 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.201 0.137 -16.307 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.641 2.385 -15.602 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.104 1.463 -15.317 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.533 1.265 -12.921 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.040 2.142 -13.192 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.771 2.581 -11.702 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.165 4.255 -12.107 1.00 0.00 H new ATOM 228 N SER A 18 -5.908 0.595 -15.480 1.00 0.00 N ATOM 229 CA SER A 18 -4.526 0.706 -15.028 1.00 0.00 C ATOM 230 C SER A 18 -4.142 2.166 -14.805 1.00 0.00 C ATOM 231 O SER A 18 -4.049 2.946 -15.753 1.00 0.00 O ATOM 232 CB SER A 18 -3.580 0.068 -16.048 1.00 0.00 C ATOM 233 OG SER A 18 -3.775 0.622 -17.338 1.00 0.00 O ATOM 0 H SER A 18 -6.030 0.682 -16.489 1.00 0.00 H new ATOM 0 HA SER A 18 -4.437 0.176 -14.080 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.547 0.220 -15.736 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.748 -1.008 -16.081 1.00 0.00 H new ATOM 0 HG SER A 18 -3.967 1.580 -17.257 1.00 0.00 H new ATOM 239 N ILE A 19 -3.922 2.527 -13.546 1.00 0.00 N ATOM 240 CA ILE A 19 -3.548 3.892 -13.198 1.00 0.00 C ATOM 241 C ILE A 19 -2.102 3.961 -12.718 1.00 0.00 C ATOM 242 O ILE A 19 -1.793 3.583 -11.587 1.00 0.00 O ATOM 243 CB ILE A 19 -4.467 4.466 -12.104 1.00 0.00 C ATOM 244 CG1 ILE A 19 -5.894 4.621 -12.636 1.00 0.00 C ATOM 245 CG2 ILE A 19 -3.933 5.802 -11.610 1.00 0.00 C ATOM 246 CD1 ILE A 19 -6.954 4.519 -11.561 1.00 0.00 C ATOM 0 H ILE A 19 -3.996 1.894 -12.750 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.657 4.489 -14.103 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.485 3.771 -11.264 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.985 5.586 -13.134 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.077 3.855 -13.390 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.594 6.195 -10.837 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.934 5.664 -11.197 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.889 6.506 -12.441 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.940 4.638 -12.010 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.890 3.544 -11.079 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.796 5.302 -10.819 1.00 0.00 H new ATOM 258 N HIS A 20 -1.219 4.447 -13.584 1.00 0.00 N ATOM 259 CA HIS A 20 0.195 4.567 -13.248 1.00 0.00 C ATOM 260 C HIS A 20 0.533 5.993 -12.824 1.00 0.00 C ATOM 261 O HIS A 20 0.214 6.952 -13.527 1.00 0.00 O ATOM 262 CB HIS A 20 1.061 4.159 -14.441 1.00 0.00 C ATOM 263 CG HIS A 20 1.337 5.282 -15.392 1.00 0.00 C ATOM 264 ND1 HIS A 20 2.521 5.989 -15.399 1.00 0.00 N ATOM 265 CD2 HIS A 20 0.575 5.818 -16.375 1.00 0.00 C ATOM 266 CE1 HIS A 20 2.475 6.913 -16.342 1.00 0.00 C ATOM 267 NE2 HIS A 20 1.305 6.830 -16.950 1.00 0.00 N ATOM 0 H HIS A 20 -1.458 4.764 -14.524 1.00 0.00 H new ATOM 0 HA HIS A 20 0.403 3.899 -12.412 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.008 3.764 -14.074 1.00 0.00 H new ATOM 0 HB3 HIS A 20 0.566 3.351 -14.980 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.421 5.508 -16.655 1.00 0.00 H new ATOM 0 HE1 HIS A 20 3.260 7.617 -16.576 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.994 7.421 -17.721 1.00 0.00 H new ATOM 276 N ILE A 21 1.179 6.125 -11.670 1.00 0.00 N ATOM 277 CA ILE A 21 1.559 7.433 -11.153 1.00 0.00 C ATOM 278 C ILE A 21 3.061 7.662 -11.288 1.00 0.00 C ATOM 279 O ILE A 21 3.862 6.770 -11.012 1.00 0.00 O ATOM 280 CB ILE A 21 1.158 7.593 -9.674 1.00 0.00 C ATOM 281 CG1 ILE A 21 -0.232 7.000 -9.434 1.00 0.00 C ATOM 282 CG2 ILE A 21 1.192 9.059 -9.271 1.00 0.00 C ATOM 283 CD1 ILE A 21 -0.518 6.702 -7.978 1.00 0.00 C ATOM 0 H ILE A 21 1.450 5.342 -11.076 1.00 0.00 H new ATOM 0 HA ILE A 21 1.025 8.174 -11.748 1.00 0.00 H new ATOM 0 HB ILE A 21 1.875 7.051 -9.057 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.984 7.694 -9.809 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.331 6.081 -10.011 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.906 9.155 -8.224 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.199 9.451 -9.410 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.495 9.623 -9.891 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.520 6.284 -7.882 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.212 5.984 -7.603 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.452 7.623 -7.398 1.00 0.00 H new ATOM 295 N GLU A 22 3.434 8.865 -11.713 1.00 0.00 N ATOM 296 CA GLU A 22 4.840 9.212 -11.884 1.00 0.00 C ATOM 297 C GLU A 22 5.144 10.573 -11.265 1.00 0.00 C ATOM 298 O GLU A 22 4.447 11.554 -11.521 1.00 0.00 O ATOM 299 CB GLU A 22 5.210 9.220 -13.369 1.00 0.00 C ATOM 300 CG GLU A 22 5.378 7.832 -13.962 1.00 0.00 C ATOM 301 CD GLU A 22 6.121 7.849 -15.284 1.00 0.00 C ATOM 302 OE1 GLU A 22 6.966 8.748 -15.478 1.00 0.00 O ATOM 303 OE2 GLU A 22 5.858 6.964 -16.125 1.00 0.00 O ATOM 0 H GLU A 22 2.783 9.615 -11.945 1.00 0.00 H new ATOM 0 HA GLU A 22 5.438 8.458 -11.372 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.438 9.752 -13.924 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.138 9.777 -13.501 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.917 7.201 -13.255 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.396 7.381 -14.107 1.00 0.00 H new ATOM 310 N LYS A 23 6.191 10.624 -10.448 1.00 0.00 N ATOM 311 CA LYS A 23 6.590 11.864 -9.792 1.00 0.00 C ATOM 312 C LYS A 23 7.833 12.453 -10.451 1.00 0.00 C ATOM 313 O LYS A 23 8.489 11.796 -11.259 1.00 0.00 O ATOM 314 CB LYS A 23 6.857 11.615 -8.305 1.00 0.00 C ATOM 315 CG LYS A 23 5.774 10.799 -7.621 1.00 0.00 C ATOM 316 CD LYS A 23 5.711 11.094 -6.132 1.00 0.00 C ATOM 317 CE LYS A 23 4.762 12.244 -5.831 1.00 0.00 C ATOM 318 NZ LYS A 23 5.139 13.481 -6.568 1.00 0.00 N ATOM 0 H LYS A 23 6.779 9.821 -10.224 1.00 0.00 H new ATOM 0 HA LYS A 23 5.773 12.579 -9.894 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.811 11.099 -8.197 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.954 12.574 -7.796 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.809 11.018 -8.078 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.965 9.737 -7.775 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.385 10.202 -5.597 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.708 11.338 -5.766 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.746 11.956 -6.100 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.763 12.445 -4.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.555 14.275 -6.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.143 13.694 -6.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.983 13.339 -7.586 1.00 0.00 H new ATOM 332 N SER A 24 8.152 13.694 -10.099 1.00 0.00 N ATOM 333 CA SER A 24 9.315 14.372 -10.658 1.00 0.00 C ATOM 334 C SER A 24 10.548 14.140 -9.791 1.00 0.00 C ATOM 335 O SER A 24 11.658 13.982 -10.300 1.00 0.00 O ATOM 336 CB SER A 24 9.044 15.872 -10.788 1.00 0.00 C ATOM 337 OG SER A 24 8.477 16.181 -12.050 1.00 0.00 O ATOM 0 H SER A 24 7.621 14.250 -9.429 1.00 0.00 H new ATOM 0 HA SER A 24 9.505 13.957 -11.648 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.369 16.193 -9.994 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.974 16.425 -10.659 1.00 0.00 H new ATOM 0 HG SER A 24 8.312 17.145 -12.107 1.00 0.00 H new ATOM 343 N ASP A 25 10.345 14.121 -8.478 1.00 0.00 N ATOM 344 CA ASP A 25 11.440 13.908 -7.538 1.00 0.00 C ATOM 345 C ASP A 25 10.928 13.289 -6.241 1.00 0.00 C ATOM 346 O ASP A 25 10.001 13.806 -5.616 1.00 0.00 O ATOM 347 CB ASP A 25 12.151 15.229 -7.242 1.00 0.00 C ATOM 348 CG ASP A 25 12.735 15.864 -8.489 1.00 0.00 C ATOM 349 OD1 ASP A 25 11.963 16.460 -9.268 1.00 0.00 O ATOM 350 OD2 ASP A 25 13.965 15.764 -8.686 1.00 0.00 O ATOM 0 H ASP A 25 9.433 14.250 -8.040 1.00 0.00 H new ATOM 0 HA ASP A 25 12.150 13.218 -7.994 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.447 15.922 -6.781 1.00 0.00 H new ATOM 0 HB3 ASP A 25 12.948 15.055 -6.519 1.00 0.00 H new ATOM 355 N THR A 26 11.538 12.178 -5.840 1.00 0.00 N ATOM 356 CA THR A 26 11.144 11.487 -4.619 1.00 0.00 C ATOM 357 C THR A 26 11.792 12.123 -3.394 1.00 0.00 C ATOM 358 O THR A 26 11.376 11.878 -2.262 1.00 0.00 O ATOM 359 CB THR A 26 11.523 9.995 -4.670 1.00 0.00 C ATOM 360 OG1 THR A 26 12.924 9.854 -4.926 1.00 0.00 O ATOM 361 CG2 THR A 26 10.730 9.272 -5.748 1.00 0.00 C ATOM 0 H THR A 26 12.308 11.737 -6.344 1.00 0.00 H new ATOM 0 HA THR A 26 10.060 11.576 -4.541 1.00 0.00 H new ATOM 0 HB THR A 26 11.284 9.549 -3.705 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.157 8.903 -4.955 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.015 8.220 -5.765 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.665 9.356 -5.534 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.942 9.721 -6.718 1.00 0.00 H new ATOM 369 N ALA A 27 12.813 12.941 -3.628 1.00 0.00 N ATOM 370 CA ALA A 27 13.517 13.614 -2.544 1.00 0.00 C ATOM 371 C ALA A 27 12.594 14.574 -1.802 1.00 0.00 C ATOM 372 O ALA A 27 12.750 14.797 -0.602 1.00 0.00 O ATOM 373 CB ALA A 27 14.731 14.356 -3.083 1.00 0.00 C ATOM 0 H ALA A 27 13.171 13.153 -4.559 1.00 0.00 H new ATOM 0 HA ALA A 27 13.853 12.856 -1.837 1.00 0.00 H new ATOM 0 HB1 ALA A 27 15.247 14.854 -2.262 1.00 0.00 H new ATOM 0 HB2 ALA A 27 15.408 13.648 -3.561 1.00 0.00 H new ATOM 0 HB3 ALA A 27 14.409 15.099 -3.813 1.00 0.00 H new ATOM 379 N ALA A 28 11.632 15.139 -2.524 1.00 0.00 N ATOM 380 CA ALA A 28 10.683 16.074 -1.934 1.00 0.00 C ATOM 381 C ALA A 28 9.248 15.698 -2.289 1.00 0.00 C ATOM 382 O ALA A 28 8.428 15.439 -1.409 1.00 0.00 O ATOM 383 CB ALA A 28 10.987 17.494 -2.390 1.00 0.00 C ATOM 0 H ALA A 28 11.490 14.965 -3.519 1.00 0.00 H new ATOM 0 HA ALA A 28 10.787 16.022 -0.850 1.00 0.00 H new ATOM 0 HB1 ALA A 28 10.270 18.182 -1.941 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.995 17.768 -2.080 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.914 17.551 -3.476 1.00 0.00 H new ATOM 389 N ASP A 29 8.953 15.671 -3.584 1.00 0.00 N ATOM 390 CA ASP A 29 7.617 15.327 -4.056 1.00 0.00 C ATOM 391 C ASP A 29 7.306 13.858 -3.784 1.00 0.00 C ATOM 392 O ASP A 29 7.688 12.978 -4.556 1.00 0.00 O ATOM 393 CB ASP A 29 7.490 15.619 -5.552 1.00 0.00 C ATOM 394 CG ASP A 29 8.150 16.926 -5.945 1.00 0.00 C ATOM 395 OD1 ASP A 29 7.797 17.970 -5.358 1.00 0.00 O ATOM 396 OD2 ASP A 29 9.022 16.905 -6.839 1.00 0.00 O ATOM 0 H ASP A 29 9.621 15.883 -4.325 1.00 0.00 H new ATOM 0 HA ASP A 29 6.898 15.939 -3.512 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.940 14.803 -6.118 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.435 15.652 -5.825 1.00 0.00 H new ATOM 401 N THR A 30 6.612 13.600 -2.680 1.00 0.00 N ATOM 402 CA THR A 30 6.252 12.239 -2.304 1.00 0.00 C ATOM 403 C THR A 30 4.739 12.057 -2.280 1.00 0.00 C ATOM 404 O THR A 30 4.004 12.944 -1.845 1.00 0.00 O ATOM 405 CB THR A 30 6.825 11.867 -0.924 1.00 0.00 C ATOM 406 OG1 THR A 30 6.258 12.711 0.085 1.00 0.00 O ATOM 407 CG2 THR A 30 8.340 12.002 -0.912 1.00 0.00 C ATOM 0 H THR A 30 6.288 14.317 -2.030 1.00 0.00 H new ATOM 0 HA THR A 30 6.682 11.579 -3.057 1.00 0.00 H new ATOM 0 HB THR A 30 6.567 10.828 -0.716 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.626 12.467 0.960 1.00 0.00 H new ATOM 0 HG21 THR A 30 8.721 11.734 0.073 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.770 11.337 -1.661 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.615 13.032 -1.140 1.00 0.00 H new ATOM 415 N TYR A 31 4.279 10.902 -2.749 1.00 0.00 N ATOM 416 CA TYR A 31 2.852 10.605 -2.783 1.00 0.00 C ATOM 417 C TYR A 31 2.172 11.050 -1.491 1.00 0.00 C ATOM 418 O TYR A 31 2.830 11.278 -0.477 1.00 0.00 O ATOM 419 CB TYR A 31 2.626 9.108 -3.001 1.00 0.00 C ATOM 420 CG TYR A 31 3.420 8.538 -4.154 1.00 0.00 C ATOM 421 CD1 TYR A 31 3.187 8.956 -5.458 1.00 0.00 C ATOM 422 CD2 TYR A 31 4.405 7.581 -3.940 1.00 0.00 C ATOM 423 CE1 TYR A 31 3.909 8.438 -6.515 1.00 0.00 C ATOM 424 CE2 TYR A 31 5.133 7.058 -4.991 1.00 0.00 C ATOM 425 CZ TYR A 31 4.882 7.489 -6.276 1.00 0.00 C ATOM 426 OH TYR A 31 5.604 6.970 -7.326 1.00 0.00 O ATOM 0 H TYR A 31 4.874 10.156 -3.111 1.00 0.00 H new ATOM 0 HA TYR A 31 2.412 11.157 -3.613 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.890 8.573 -2.089 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.565 8.931 -3.179 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.427 9.700 -5.649 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.605 7.240 -2.935 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.713 8.774 -7.523 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.895 6.315 -4.807 1.00 0.00 H new ATOM 0 HH TYR A 31 6.455 6.615 -6.994 1.00 0.00 H new ATOM 436 N GLY A 32 0.849 11.171 -1.538 1.00 0.00 N ATOM 437 CA GLY A 32 0.100 11.587 -0.366 1.00 0.00 C ATOM 438 C GLY A 32 -1.084 10.685 -0.084 1.00 0.00 C ATOM 439 O GLY A 32 -2.013 11.071 0.626 1.00 0.00 O ATOM 0 H GLY A 32 0.282 10.989 -2.366 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.762 11.594 0.500 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.251 12.609 -0.507 1.00 0.00 H new ATOM 443 N PHE A 33 -1.054 9.479 -0.642 1.00 0.00 N ATOM 444 CA PHE A 33 -2.135 8.520 -0.448 1.00 0.00 C ATOM 445 C PHE A 33 -1.664 7.331 0.384 1.00 0.00 C ATOM 446 O PHE A 33 -0.590 6.778 0.145 1.00 0.00 O ATOM 447 CB PHE A 33 -2.661 8.033 -1.800 1.00 0.00 C ATOM 448 CG PHE A 33 -1.936 6.828 -2.328 1.00 0.00 C ATOM 449 CD1 PHE A 33 -0.610 6.917 -2.717 1.00 0.00 C ATOM 450 CD2 PHE A 33 -2.581 5.606 -2.433 1.00 0.00 C ATOM 451 CE1 PHE A 33 0.060 5.810 -3.203 1.00 0.00 C ATOM 452 CE2 PHE A 33 -1.917 4.496 -2.919 1.00 0.00 C ATOM 453 CZ PHE A 33 -0.595 4.597 -3.303 1.00 0.00 C ATOM 0 H PHE A 33 -0.293 9.143 -1.232 1.00 0.00 H new ATOM 0 HA PHE A 33 -2.940 9.021 0.089 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.721 7.796 -1.704 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.579 8.843 -2.525 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.093 7.862 -2.640 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.615 5.520 -2.132 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.094 5.893 -3.504 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.432 3.550 -2.998 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.074 3.730 -3.681 1.00 0.00 H new ATOM 463 N SER A 34 -2.475 6.944 1.363 1.00 0.00 N ATOM 464 CA SER A 34 -2.141 5.823 2.235 1.00 0.00 C ATOM 465 C SER A 34 -2.893 4.564 1.815 1.00 0.00 C ATOM 466 O SER A 34 -3.971 4.639 1.224 1.00 0.00 O ATOM 467 CB SER A 34 -2.470 6.166 3.690 1.00 0.00 C ATOM 468 OG SER A 34 -3.607 7.007 3.771 1.00 0.00 O ATOM 0 H SER A 34 -3.368 7.390 1.573 1.00 0.00 H new ATOM 0 HA SER A 34 -1.071 5.632 2.146 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.651 5.249 4.251 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.615 6.659 4.153 1.00 0.00 H new ATOM 0 HG SER A 34 -3.797 7.210 4.711 1.00 0.00 H new ATOM 474 N LEU A 35 -2.317 3.408 2.124 1.00 0.00 N ATOM 475 CA LEU A 35 -2.931 2.131 1.779 1.00 0.00 C ATOM 476 C LEU A 35 -3.224 1.311 3.031 1.00 0.00 C ATOM 477 O LEU A 35 -2.330 1.044 3.834 1.00 0.00 O ATOM 478 CB LEU A 35 -2.017 1.340 0.841 1.00 0.00 C ATOM 479 CG LEU A 35 -2.140 1.666 -0.648 1.00 0.00 C ATOM 480 CD1 LEU A 35 -1.317 0.692 -1.477 1.00 0.00 C ATOM 481 CD2 LEU A 35 -3.598 1.638 -1.082 1.00 0.00 C ATOM 0 H LEU A 35 -1.425 3.329 2.613 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.874 2.335 1.272 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.984 1.508 1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.220 0.278 0.978 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.752 2.671 -0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.417 0.939 -2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.269 0.761 -1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.675 -0.323 -1.307 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.666 1.872 -2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.012 0.646 -0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.162 2.376 -0.511 1.00 0.00 H new ATOM 493 N SER A 36 -4.483 0.914 3.191 1.00 0.00 N ATOM 494 CA SER A 36 -4.895 0.126 4.347 1.00 0.00 C ATOM 495 C SER A 36 -5.141 -1.327 3.954 1.00 0.00 C ATOM 496 O SER A 36 -5.435 -1.627 2.797 1.00 0.00 O ATOM 497 CB SER A 36 -6.160 0.720 4.970 1.00 0.00 C ATOM 498 OG SER A 36 -6.494 0.055 6.177 1.00 0.00 O ATOM 0 H SER A 36 -5.235 1.125 2.535 1.00 0.00 H new ATOM 0 HA SER A 36 -4.090 0.154 5.081 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.009 1.782 5.166 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.988 0.640 4.266 1.00 0.00 H new ATOM 0 HG SER A 36 -7.305 0.454 6.557 1.00 0.00 H new ATOM 504 N SER A 37 -5.020 -2.225 4.926 1.00 0.00 N ATOM 505 CA SER A 37 -5.226 -3.648 4.682 1.00 0.00 C ATOM 506 C SER A 37 -6.460 -4.153 5.423 1.00 0.00 C ATOM 507 O SER A 37 -6.636 -3.889 6.613 1.00 0.00 O ATOM 508 CB SER A 37 -3.994 -4.445 5.118 1.00 0.00 C ATOM 509 OG SER A 37 -3.631 -4.134 6.451 1.00 0.00 O ATOM 0 H SER A 37 -4.780 -1.993 5.890 1.00 0.00 H new ATOM 0 HA SER A 37 -5.382 -3.789 3.613 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.199 -5.512 5.033 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.161 -4.226 4.450 1.00 0.00 H new ATOM 0 HG SER A 37 -2.843 -4.657 6.706 1.00 0.00 H new ATOM 515 N VAL A 38 -7.313 -4.882 4.710 1.00 0.00 N ATOM 516 CA VAL A 38 -8.531 -5.426 5.298 1.00 0.00 C ATOM 517 C VAL A 38 -8.608 -6.936 5.104 1.00 0.00 C ATOM 518 O VAL A 38 -8.697 -7.423 3.978 1.00 0.00 O ATOM 519 CB VAL A 38 -9.788 -4.777 4.689 1.00 0.00 C ATOM 520 CG1 VAL A 38 -11.041 -5.267 5.398 1.00 0.00 C ATOM 521 CG2 VAL A 38 -9.688 -3.260 4.753 1.00 0.00 C ATOM 0 H VAL A 38 -7.183 -5.109 3.724 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.495 -5.200 6.364 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.855 -5.071 3.641 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -11.918 -4.797 4.953 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.118 -6.349 5.295 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.986 -5.006 6.455 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.584 -2.818 4.318 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.595 -2.945 5.792 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -8.813 -2.929 4.194 1.00 0.00 H new ATOM 531 N GLU A 39 -8.574 -7.672 6.211 1.00 0.00 N ATOM 532 CA GLU A 39 -8.639 -9.128 6.162 1.00 0.00 C ATOM 533 C GLU A 39 -10.072 -9.615 6.355 1.00 0.00 C ATOM 534 O GLU A 39 -10.740 -9.243 7.320 1.00 0.00 O ATOM 535 CB GLU A 39 -7.733 -9.738 7.233 1.00 0.00 C ATOM 536 CG GLU A 39 -7.236 -11.132 6.889 1.00 0.00 C ATOM 537 CD GLU A 39 -6.968 -11.976 8.119 1.00 0.00 C ATOM 538 OE1 GLU A 39 -5.965 -11.710 8.814 1.00 0.00 O ATOM 539 OE2 GLU A 39 -7.761 -12.903 8.388 1.00 0.00 O ATOM 0 H GLU A 39 -8.502 -7.284 7.152 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.294 -9.448 5.179 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.875 -9.083 7.387 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.277 -9.778 8.177 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.975 -11.633 6.263 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.322 -11.053 6.301 1.00 0.00 H new ATOM 546 N GLU A 40 -10.538 -10.449 5.430 1.00 0.00 N ATOM 547 CA GLU A 40 -11.892 -10.985 5.499 1.00 0.00 C ATOM 548 C GLU A 40 -11.937 -12.417 4.972 1.00 0.00 C ATOM 549 O GLU A 40 -11.625 -12.671 3.809 1.00 0.00 O ATOM 550 CB GLU A 40 -12.854 -10.105 4.698 1.00 0.00 C ATOM 551 CG GLU A 40 -12.800 -8.636 5.085 1.00 0.00 C ATOM 552 CD GLU A 40 -13.734 -7.779 4.253 1.00 0.00 C ATOM 553 OE1 GLU A 40 -14.956 -7.812 4.509 1.00 0.00 O ATOM 554 OE2 GLU A 40 -13.243 -7.075 3.346 1.00 0.00 O ATOM 0 H GLU A 40 -9.998 -10.767 4.625 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.201 -10.990 6.544 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.623 -10.201 3.637 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.871 -10.472 4.838 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.059 -8.532 6.139 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.779 -8.271 4.970 1.00 0.00 H new ATOM 561 N ASP A 41 -12.328 -13.347 5.836 1.00 0.00 N ATOM 562 CA ASP A 41 -12.415 -14.753 5.459 1.00 0.00 C ATOM 563 C ASP A 41 -11.052 -15.285 5.028 1.00 0.00 C ATOM 564 O ASP A 41 -10.962 -16.196 4.206 1.00 0.00 O ATOM 565 CB ASP A 41 -13.430 -14.938 4.330 1.00 0.00 C ATOM 566 CG ASP A 41 -14.853 -14.674 4.781 1.00 0.00 C ATOM 567 OD1 ASP A 41 -15.070 -13.681 5.508 1.00 0.00 O ATOM 568 OD2 ASP A 41 -15.749 -15.459 4.407 1.00 0.00 O ATOM 0 H ASP A 41 -12.590 -13.153 6.802 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.746 -15.318 6.330 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -13.182 -14.266 3.509 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -13.357 -15.954 3.943 1.00 0.00 H new ATOM 573 N GLY A 42 -9.993 -14.709 5.588 1.00 0.00 N ATOM 574 CA GLY A 42 -8.648 -15.137 5.248 1.00 0.00 C ATOM 575 C GLY A 42 -8.108 -14.431 4.020 1.00 0.00 C ATOM 576 O GLY A 42 -6.914 -14.505 3.728 1.00 0.00 O ATOM 0 H GLY A 42 -10.042 -13.953 6.271 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.985 -14.948 6.093 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.645 -16.213 5.075 1.00 0.00 H new ATOM 580 N ILE A 43 -8.989 -13.746 3.298 1.00 0.00 N ATOM 581 CA ILE A 43 -8.593 -13.025 2.094 1.00 0.00 C ATOM 582 C ILE A 43 -8.177 -11.595 2.422 1.00 0.00 C ATOM 583 O ILE A 43 -9.020 -10.741 2.696 1.00 0.00 O ATOM 584 CB ILE A 43 -9.731 -12.992 1.058 1.00 0.00 C ATOM 585 CG1 ILE A 43 -10.436 -14.349 0.999 1.00 0.00 C ATOM 586 CG2 ILE A 43 -9.190 -12.611 -0.312 1.00 0.00 C ATOM 587 CD1 ILE A 43 -11.776 -14.304 0.298 1.00 0.00 C ATOM 0 H ILE A 43 -9.981 -13.675 3.526 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.743 -13.560 1.671 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.457 -12.239 1.363 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.791 -15.063 0.487 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.578 -14.720 2.014 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.007 -12.592 -1.033 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.729 -11.625 -0.260 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.446 -13.343 -0.626 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -12.218 -15.300 0.294 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -12.438 -13.616 0.823 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -11.638 -13.964 -0.728 1.00 0.00 H new ATOM 599 N ARG A 44 -6.873 -11.342 2.390 1.00 0.00 N ATOM 600 CA ARG A 44 -6.345 -10.015 2.683 1.00 0.00 C ATOM 601 C ARG A 44 -6.428 -9.113 1.455 1.00 0.00 C ATOM 602 O ARG A 44 -5.896 -9.443 0.395 1.00 0.00 O ATOM 603 CB ARG A 44 -4.895 -10.113 3.161 1.00 0.00 C ATOM 604 CG ARG A 44 -4.405 -8.868 3.880 1.00 0.00 C ATOM 605 CD ARG A 44 -2.911 -8.662 3.684 1.00 0.00 C ATOM 606 NE ARG A 44 -2.298 -7.983 4.822 1.00 0.00 N ATOM 607 CZ ARG A 44 -2.240 -8.502 6.044 1.00 0.00 C ATOM 608 NH1 ARG A 44 -2.756 -9.699 6.284 1.00 0.00 N ATOM 609 NH2 ARG A 44 -1.665 -7.823 7.028 1.00 0.00 N ATOM 0 H ARG A 44 -6.163 -12.038 2.164 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.952 -9.577 3.475 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.799 -10.969 3.829 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.251 -10.304 2.303 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.945 -7.997 3.510 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.625 -8.951 4.944 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.428 -9.628 3.535 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.741 -8.078 2.779 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.892 -7.060 4.671 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.199 -10.224 5.530 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.710 -10.095 7.223 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.267 -6.902 6.847 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.621 -8.222 7.966 1.00 0.00 H new ATOM 623 N ARG A 45 -7.098 -7.976 1.606 1.00 0.00 N ATOM 624 CA ARG A 45 -7.252 -7.028 0.509 1.00 0.00 C ATOM 625 C ARG A 45 -6.716 -5.653 0.899 1.00 0.00 C ATOM 626 O ARG A 45 -6.553 -5.351 2.082 1.00 0.00 O ATOM 627 CB ARG A 45 -8.723 -6.918 0.104 1.00 0.00 C ATOM 628 CG ARG A 45 -9.164 -7.984 -0.885 1.00 0.00 C ATOM 629 CD ARG A 45 -9.318 -9.339 -0.212 1.00 0.00 C ATOM 630 NE ARG A 45 -10.651 -9.519 0.357 1.00 0.00 N ATOM 631 CZ ARG A 45 -11.697 -9.947 -0.341 1.00 0.00 C ATOM 632 NH1 ARG A 45 -11.564 -10.239 -1.628 1.00 0.00 N ATOM 633 NH2 ARG A 45 -12.878 -10.085 0.248 1.00 0.00 N ATOM 0 H ARG A 45 -7.543 -7.688 2.477 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.675 -7.396 -0.340 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.343 -6.985 0.998 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.898 -5.935 -0.333 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.111 -7.692 -1.338 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.434 -8.058 -1.691 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.124 -10.129 -0.938 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.571 -9.440 0.575 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.786 -9.304 1.345 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.657 -10.135 -2.083 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.368 -10.568 -2.162 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -12.983 -9.862 1.238 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -13.680 -10.414 -0.289 1.00 0.00 H new ATOM 647 N LEU A 46 -6.443 -4.825 -0.103 1.00 0.00 N ATOM 648 CA LEU A 46 -5.925 -3.482 0.135 1.00 0.00 C ATOM 649 C LEU A 46 -6.935 -2.424 -0.300 1.00 0.00 C ATOM 650 O LEU A 46 -7.618 -2.582 -1.312 1.00 0.00 O ATOM 651 CB LEU A 46 -4.607 -3.283 -0.615 1.00 0.00 C ATOM 652 CG LEU A 46 -3.339 -3.685 0.140 1.00 0.00 C ATOM 653 CD1 LEU A 46 -3.174 -2.841 1.394 1.00 0.00 C ATOM 654 CD2 LEU A 46 -3.374 -5.165 0.491 1.00 0.00 C ATOM 0 H LEU A 46 -6.571 -5.059 -1.087 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.748 -3.371 1.205 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.650 -3.854 -1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.524 -2.232 -0.891 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.481 -3.506 -0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.267 -3.141 1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.102 -1.789 1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.035 -2.987 2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.464 -5.433 1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.240 -5.369 1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.443 -5.754 -0.423 1.00 0.00 H new ATOM 666 N TYR A 47 -7.022 -1.345 0.471 1.00 0.00 N ATOM 667 CA TYR A 47 -7.948 -0.261 0.166 1.00 0.00 C ATOM 668 C TYR A 47 -7.351 1.089 0.551 1.00 0.00 C ATOM 669 O TYR A 47 -6.781 1.244 1.631 1.00 0.00 O ATOM 670 CB TYR A 47 -9.273 -0.473 0.899 1.00 0.00 C ATOM 671 CG TYR A 47 -9.935 -1.796 0.583 1.00 0.00 C ATOM 672 CD1 TYR A 47 -9.529 -2.966 1.213 1.00 0.00 C ATOM 673 CD2 TYR A 47 -10.965 -1.876 -0.346 1.00 0.00 C ATOM 674 CE1 TYR A 47 -10.129 -4.177 0.928 1.00 0.00 C ATOM 675 CE2 TYR A 47 -11.573 -3.082 -0.636 1.00 0.00 C ATOM 676 CZ TYR A 47 -11.151 -4.229 0.003 1.00 0.00 C ATOM 677 OH TYR A 47 -11.753 -5.433 -0.285 1.00 0.00 O ATOM 0 H TYR A 47 -6.463 -1.198 1.311 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.131 -0.264 -0.909 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.098 -0.411 1.973 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.956 0.336 0.640 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -8.730 -2.928 1.939 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.296 -0.980 -0.850 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -9.800 -5.077 1.426 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.374 -3.126 -1.359 1.00 0.00 H new ATOM 0 HH TYR A 47 -12.178 -5.384 -1.167 1.00 0.00 H new ATOM 687 N VAL A 48 -7.488 2.065 -0.341 1.00 0.00 N ATOM 688 CA VAL A 48 -6.965 3.404 -0.096 1.00 0.00 C ATOM 689 C VAL A 48 -7.631 4.040 1.118 1.00 0.00 C ATOM 690 O VAL A 48 -8.851 3.990 1.267 1.00 0.00 O ATOM 691 CB VAL A 48 -7.169 4.319 -1.318 1.00 0.00 C ATOM 692 CG1 VAL A 48 -6.699 5.732 -1.012 1.00 0.00 C ATOM 693 CG2 VAL A 48 -6.441 3.758 -2.531 1.00 0.00 C ATOM 0 H VAL A 48 -7.957 1.953 -1.240 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.897 3.297 0.094 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.234 4.357 -1.547 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.851 6.364 -1.887 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.269 6.131 -0.173 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.640 5.716 -0.756 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.596 4.417 -3.385 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.375 3.688 -2.315 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.830 2.766 -2.762 1.00 0.00 H new ATOM 703 N ASN A 49 -6.821 4.639 1.985 1.00 0.00 N ATOM 704 CA ASN A 49 -7.332 5.286 3.188 1.00 0.00 C ATOM 705 C ASN A 49 -7.510 6.785 2.965 1.00 0.00 C ATOM 706 O ASN A 49 -8.511 7.370 3.379 1.00 0.00 O ATOM 707 CB ASN A 49 -6.385 5.043 4.365 1.00 0.00 C ATOM 708 CG ASN A 49 -6.793 5.816 5.604 1.00 0.00 C ATOM 709 OD1 ASN A 49 -7.644 6.703 5.544 1.00 0.00 O ATOM 710 ND2 ASN A 49 -6.184 5.483 6.736 1.00 0.00 N ATOM 0 H ASN A 49 -5.808 4.690 1.877 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.305 4.852 3.418 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.362 3.978 4.596 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.373 5.329 4.079 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.416 5.969 7.602 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.484 4.741 6.739 1.00 0.00 H new ATOM 717 N SER A 50 -6.532 7.401 2.309 1.00 0.00 N ATOM 718 CA SER A 50 -6.579 8.832 2.033 1.00 0.00 C ATOM 719 C SER A 50 -5.865 9.157 0.725 1.00 0.00 C ATOM 720 O SER A 50 -5.052 8.373 0.236 1.00 0.00 O ATOM 721 CB SER A 50 -5.942 9.615 3.183 1.00 0.00 C ATOM 722 OG SER A 50 -6.352 10.971 3.166 1.00 0.00 O ATOM 0 H SER A 50 -5.697 6.931 1.959 1.00 0.00 H new ATOM 0 HA SER A 50 -7.625 9.125 1.938 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.219 9.160 4.134 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.856 9.559 3.107 1.00 0.00 H new ATOM 0 HG SER A 50 -5.933 11.449 3.912 1.00 0.00 H new ATOM 728 N VAL A 51 -6.176 10.321 0.162 1.00 0.00 N ATOM 729 CA VAL A 51 -5.564 10.752 -1.089 1.00 0.00 C ATOM 730 C VAL A 51 -5.366 12.263 -1.112 1.00 0.00 C ATOM 731 O VAL A 51 -6.320 13.028 -0.969 1.00 0.00 O ATOM 732 CB VAL A 51 -6.418 10.339 -2.303 1.00 0.00 C ATOM 733 CG1 VAL A 51 -5.687 10.649 -3.600 1.00 0.00 C ATOM 734 CG2 VAL A 51 -6.777 8.863 -2.223 1.00 0.00 C ATOM 0 H VAL A 51 -6.848 10.982 0.553 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.593 10.260 -1.152 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.343 10.916 -2.289 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.305 10.351 -4.446 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.485 11.719 -3.657 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.746 10.100 -3.627 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.380 8.588 -3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.865 8.267 -2.212 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.344 8.675 -1.311 1.00 0.00 H new ATOM 744 N LYS A 52 -4.120 12.689 -1.293 1.00 0.00 N ATOM 745 CA LYS A 52 -3.795 14.109 -1.336 1.00 0.00 C ATOM 746 C LYS A 52 -4.452 14.781 -2.538 1.00 0.00 C ATOM 747 O LYS A 52 -4.307 14.324 -3.671 1.00 0.00 O ATOM 748 CB LYS A 52 -2.278 14.305 -1.395 1.00 0.00 C ATOM 749 CG LYS A 52 -1.611 13.548 -2.530 1.00 0.00 C ATOM 750 CD LYS A 52 -0.273 14.164 -2.901 1.00 0.00 C ATOM 751 CE LYS A 52 0.474 13.309 -3.912 1.00 0.00 C ATOM 752 NZ LYS A 52 1.512 14.090 -4.640 1.00 0.00 N ATOM 0 H LYS A 52 -3.318 12.070 -1.412 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.180 14.572 -0.427 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.061 15.368 -1.502 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.841 13.984 -0.449 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.465 12.508 -2.239 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.266 13.546 -3.401 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.432 15.161 -3.313 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.335 14.283 -2.004 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.944 12.469 -3.400 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.234 12.891 -4.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.428 13.912 -5.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.378 15.104 -4.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.456 13.800 -4.315 1.00 0.00 H new ATOM 766 N GLU A 53 -5.172 15.869 -2.282 1.00 0.00 N ATOM 767 CA GLU A 53 -5.850 16.603 -3.344 1.00 0.00 C ATOM 768 C GLU A 53 -4.848 17.125 -4.369 1.00 0.00 C ATOM 769 O GLU A 53 -4.892 16.754 -5.543 1.00 0.00 O ATOM 770 CB GLU A 53 -6.651 17.768 -2.758 1.00 0.00 C ATOM 771 CG GLU A 53 -7.321 18.635 -3.810 1.00 0.00 C ATOM 772 CD GLU A 53 -8.095 19.791 -3.207 1.00 0.00 C ATOM 773 OE1 GLU A 53 -9.096 19.534 -2.506 1.00 0.00 O ATOM 774 OE2 GLU A 53 -7.699 20.953 -3.435 1.00 0.00 O ATOM 0 H GLU A 53 -5.301 16.261 -1.349 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.533 15.918 -3.846 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.413 17.373 -2.086 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.987 18.389 -2.157 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.564 19.025 -4.490 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.997 18.021 -4.405 1.00 0.00 H new ATOM 781 N THR A 54 -3.944 17.989 -3.918 1.00 0.00 N ATOM 782 CA THR A 54 -2.932 18.564 -4.795 1.00 0.00 C ATOM 783 C THR A 54 -1.813 17.566 -5.072 1.00 0.00 C ATOM 784 O THR A 54 -0.636 17.872 -4.891 1.00 0.00 O ATOM 785 CB THR A 54 -2.324 19.843 -4.188 1.00 0.00 C ATOM 786 OG1 THR A 54 -1.726 19.548 -2.921 1.00 0.00 O ATOM 787 CG2 THR A 54 -3.387 20.918 -4.016 1.00 0.00 C ATOM 0 H THR A 54 -3.892 18.306 -2.950 1.00 0.00 H new ATOM 0 HA THR A 54 -3.431 18.816 -5.731 1.00 0.00 H new ATOM 0 HB THR A 54 -1.560 20.216 -4.871 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.340 20.366 -2.543 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.935 21.812 -3.586 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.819 21.161 -4.987 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.170 20.552 -3.352 1.00 0.00 H new ATOM 795 N GLY A 55 -2.190 16.370 -5.514 1.00 0.00 N ATOM 796 CA GLY A 55 -1.206 15.345 -5.810 1.00 0.00 C ATOM 797 C GLY A 55 -1.415 14.717 -7.174 1.00 0.00 C ATOM 798 O GLY A 55 -1.990 15.337 -8.070 1.00 0.00 O ATOM 0 H GLY A 55 -3.159 16.093 -5.672 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.208 15.780 -5.763 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.252 14.570 -5.045 1.00 0.00 H new ATOM 802 N LEU A 56 -0.947 13.485 -7.334 1.00 0.00 N ATOM 803 CA LEU A 56 -1.084 12.772 -8.600 1.00 0.00 C ATOM 804 C LEU A 56 -2.180 11.715 -8.513 1.00 0.00 C ATOM 805 O LEU A 56 -3.012 11.595 -9.412 1.00 0.00 O ATOM 806 CB LEU A 56 0.244 12.117 -8.985 1.00 0.00 C ATOM 807 CG LEU A 56 1.491 12.989 -8.836 1.00 0.00 C ATOM 808 CD1 LEU A 56 2.731 12.123 -8.672 1.00 0.00 C ATOM 809 CD2 LEU A 56 1.640 13.916 -10.033 1.00 0.00 C ATOM 0 H LEU A 56 -0.469 12.958 -6.603 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.362 13.494 -9.368 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.375 11.223 -8.375 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.177 11.788 -10.022 1.00 0.00 H new ATOM 0 HG LEU A 56 1.379 13.600 -7.941 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.609 12.761 -8.567 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.626 11.502 -7.783 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.848 11.485 -9.548 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.533 14.529 -9.910 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.730 13.323 -10.943 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.764 14.561 -10.105 1.00 0.00 H new ATOM 821 N ALA A 57 -2.174 10.952 -7.425 1.00 0.00 N ATOM 822 CA ALA A 57 -3.170 9.907 -7.220 1.00 0.00 C ATOM 823 C ALA A 57 -4.580 10.439 -7.454 1.00 0.00 C ATOM 824 O ALA A 57 -5.349 9.868 -8.227 1.00 0.00 O ATOM 825 CB ALA A 57 -3.048 9.331 -5.817 1.00 0.00 C ATOM 0 H ALA A 57 -1.491 11.038 -6.672 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.984 9.114 -7.945 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.797 8.552 -5.677 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.053 8.906 -5.683 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.206 10.122 -5.084 1.00 0.00 H new ATOM 831 N SER A 58 -4.913 11.537 -6.782 1.00 0.00 N ATOM 832 CA SER A 58 -6.232 12.143 -6.915 1.00 0.00 C ATOM 833 C SER A 58 -6.517 12.514 -8.367 1.00 0.00 C ATOM 834 O SER A 58 -7.364 11.905 -9.021 1.00 0.00 O ATOM 835 CB SER A 58 -6.336 13.387 -6.029 1.00 0.00 C ATOM 836 OG SER A 58 -7.627 13.967 -6.115 1.00 0.00 O ATOM 0 H SER A 58 -4.287 12.024 -6.140 1.00 0.00 H new ATOM 0 HA SER A 58 -6.974 11.412 -6.593 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.122 13.119 -4.994 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.585 14.117 -6.331 1.00 0.00 H new ATOM 0 HG SER A 58 -7.669 14.759 -5.539 1.00 0.00 H new ATOM 842 N LYS A 59 -5.803 13.517 -8.866 1.00 0.00 N ATOM 843 CA LYS A 59 -5.975 13.970 -10.241 1.00 0.00 C ATOM 844 C LYS A 59 -6.038 12.786 -11.200 1.00 0.00 C ATOM 845 O LYS A 59 -6.793 12.800 -12.172 1.00 0.00 O ATOM 846 CB LYS A 59 -4.830 14.903 -10.639 1.00 0.00 C ATOM 847 CG LYS A 59 -3.456 14.267 -10.518 1.00 0.00 C ATOM 848 CD LYS A 59 -2.355 15.235 -10.917 1.00 0.00 C ATOM 849 CE LYS A 59 -2.644 15.883 -12.263 1.00 0.00 C ATOM 850 NZ LYS A 59 -3.429 17.140 -12.117 1.00 0.00 N ATOM 0 H LYS A 59 -5.099 14.032 -8.338 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.917 14.515 -10.303 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.980 15.230 -11.668 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.865 15.794 -10.013 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.296 13.936 -9.492 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.408 13.380 -11.150 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.254 16.007 -10.154 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.403 14.706 -10.963 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.704 16.099 -12.771 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.193 15.183 -12.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.307 17.067 -12.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.662 17.289 -11.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.867 17.943 -12.465 1.00 0.00 H new ATOM 864 N LYS A 60 -5.240 11.761 -10.920 1.00 0.00 N ATOM 865 CA LYS A 60 -5.206 10.567 -11.756 1.00 0.00 C ATOM 866 C LYS A 60 -6.573 9.892 -11.796 1.00 0.00 C ATOM 867 O LYS A 60 -7.267 9.934 -12.811 1.00 0.00 O ATOM 868 CB LYS A 60 -4.155 9.584 -11.234 1.00 0.00 C ATOM 869 CG LYS A 60 -2.744 9.897 -11.703 1.00 0.00 C ATOM 870 CD LYS A 60 -2.580 9.637 -13.191 1.00 0.00 C ATOM 871 CE LYS A 60 -1.159 9.920 -13.653 1.00 0.00 C ATOM 872 NZ LYS A 60 -0.910 9.406 -15.028 1.00 0.00 N ATOM 0 H LYS A 60 -4.608 11.733 -10.120 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.940 10.870 -12.769 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.176 9.587 -10.144 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.421 8.577 -11.555 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.511 10.940 -11.487 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.031 9.289 -11.146 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.835 8.600 -13.411 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.277 10.262 -13.750 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.976 10.994 -13.628 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.454 9.461 -12.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.252 10.042 -15.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.496 8.453 -14.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.808 9.363 -15.551 1.00 0.00 H new ATOM 886 N GLY A 61 -6.954 9.271 -10.685 1.00 0.00 N ATOM 887 CA GLY A 61 -8.238 8.597 -10.614 1.00 0.00 C ATOM 888 C GLY A 61 -8.396 7.782 -9.346 1.00 0.00 C ATOM 889 O GLY A 61 -9.069 6.750 -9.342 1.00 0.00 O ATOM 0 H GLY A 61 -6.397 9.222 -9.832 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.037 9.337 -10.668 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.350 7.943 -11.479 1.00 0.00 H new ATOM 893 N LEU A 62 -7.775 8.244 -8.267 1.00 0.00 N ATOM 894 CA LEU A 62 -7.848 7.549 -6.986 1.00 0.00 C ATOM 895 C LEU A 62 -8.639 8.366 -5.969 1.00 0.00 C ATOM 896 O LEU A 62 -8.705 9.592 -6.056 1.00 0.00 O ATOM 897 CB LEU A 62 -6.442 7.273 -6.452 1.00 0.00 C ATOM 898 CG LEU A 62 -5.791 5.970 -6.917 1.00 0.00 C ATOM 899 CD1 LEU A 62 -4.276 6.066 -6.823 1.00 0.00 C ATOM 900 CD2 LEU A 62 -6.305 4.795 -6.098 1.00 0.00 C ATOM 0 H LEU A 62 -7.215 9.097 -8.253 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.362 6.601 -7.143 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.796 8.102 -6.741 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.484 7.266 -5.363 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.059 5.805 -7.960 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.831 5.129 -7.158 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.923 6.882 -7.454 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.987 6.256 -5.789 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.831 3.876 -6.443 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.068 4.953 -5.046 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.385 4.713 -6.218 1.00 0.00 H new ATOM 912 N LYS A 63 -9.238 7.678 -5.002 1.00 0.00 N ATOM 913 CA LYS A 63 -10.022 8.338 -3.965 1.00 0.00 C ATOM 914 C LYS A 63 -10.027 7.515 -2.681 1.00 0.00 C ATOM 915 O LYS A 63 -9.875 6.294 -2.714 1.00 0.00 O ATOM 916 CB LYS A 63 -11.458 8.560 -4.447 1.00 0.00 C ATOM 917 CG LYS A 63 -12.195 9.643 -3.679 1.00 0.00 C ATOM 918 CD LYS A 63 -13.692 9.384 -3.648 1.00 0.00 C ATOM 919 CE LYS A 63 -14.352 10.071 -2.462 1.00 0.00 C ATOM 920 NZ LYS A 63 -15.838 10.009 -2.542 1.00 0.00 N ATOM 0 H LYS A 63 -9.195 6.663 -4.915 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.562 9.304 -3.755 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.441 8.823 -5.505 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.010 7.624 -4.360 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.812 9.692 -2.660 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.002 10.612 -4.139 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.143 9.741 -4.574 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.876 8.311 -3.597 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.018 9.600 -1.537 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.034 11.113 -2.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -16.250 10.488 -1.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -16.159 10.481 -3.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -16.144 9.015 -2.554 1.00 0.00 H new ATOM 934 N ALA A 64 -10.204 8.192 -1.551 1.00 0.00 N ATOM 935 CA ALA A 64 -10.232 7.523 -0.256 1.00 0.00 C ATOM 936 C ALA A 64 -11.368 6.508 -0.187 1.00 0.00 C ATOM 937 O ALA A 64 -12.517 6.864 0.067 1.00 0.00 O ATOM 938 CB ALA A 64 -10.367 8.545 0.863 1.00 0.00 C ATOM 0 H ALA A 64 -10.330 9.203 -1.506 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.292 6.986 -0.132 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.387 8.032 1.824 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.519 9.230 0.835 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.292 9.107 0.733 1.00 0.00 H new ATOM 944 N GLY A 65 -11.037 5.240 -0.417 1.00 0.00 N ATOM 945 CA GLY A 65 -12.041 4.193 -0.377 1.00 0.00 C ATOM 946 C GLY A 65 -12.029 3.331 -1.624 1.00 0.00 C ATOM 947 O GLY A 65 -13.047 2.745 -1.992 1.00 0.00 O ATOM 0 H GLY A 65 -10.092 4.920 -0.630 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.872 3.564 0.497 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.027 4.643 -0.260 1.00 0.00 H new ATOM 951 N ASP A 66 -10.875 3.255 -2.278 1.00 0.00 N ATOM 952 CA ASP A 66 -10.734 2.459 -3.492 1.00 0.00 C ATOM 953 C ASP A 66 -10.387 1.012 -3.155 1.00 0.00 C ATOM 954 O ASP A 66 -10.277 0.647 -1.986 1.00 0.00 O ATOM 955 CB ASP A 66 -9.657 3.057 -4.398 1.00 0.00 C ATOM 956 CG ASP A 66 -10.204 4.133 -5.315 1.00 0.00 C ATOM 957 OD1 ASP A 66 -10.910 5.036 -4.817 1.00 0.00 O ATOM 958 OD2 ASP A 66 -9.926 4.073 -6.531 1.00 0.00 O ATOM 0 H ASP A 66 -10.023 3.735 -1.988 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.688 2.472 -4.019 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.862 3.478 -3.783 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.210 2.265 -4.998 1.00 0.00 H new ATOM 963 N GLU A 67 -10.218 0.194 -4.189 1.00 0.00 N ATOM 964 CA GLU A 67 -9.886 -1.214 -4.002 1.00 0.00 C ATOM 965 C GLU A 67 -8.649 -1.593 -4.811 1.00 0.00 C ATOM 966 O GLU A 67 -8.677 -1.596 -6.042 1.00 0.00 O ATOM 967 CB GLU A 67 -11.067 -2.098 -4.410 1.00 0.00 C ATOM 968 CG GLU A 67 -10.734 -3.580 -4.444 1.00 0.00 C ATOM 969 CD GLU A 67 -10.864 -4.239 -3.085 1.00 0.00 C ATOM 970 OE1 GLU A 67 -9.871 -4.237 -2.328 1.00 0.00 O ATOM 971 OE2 GLU A 67 -11.958 -4.758 -2.779 1.00 0.00 O ATOM 0 H GLU A 67 -10.305 0.481 -5.164 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.671 -1.373 -2.945 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.890 -1.935 -3.714 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.417 -1.790 -5.395 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.395 -4.081 -5.151 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.716 -3.711 -4.811 1.00 0.00 H new ATOM 978 N ILE A 68 -7.566 -1.912 -4.111 1.00 0.00 N ATOM 979 CA ILE A 68 -6.320 -2.294 -4.764 1.00 0.00 C ATOM 980 C ILE A 68 -6.277 -3.794 -5.033 1.00 0.00 C ATOM 981 O ILE A 68 -6.298 -4.603 -4.104 1.00 0.00 O ATOM 982 CB ILE A 68 -5.097 -1.900 -3.914 1.00 0.00 C ATOM 983 CG1 ILE A 68 -5.232 -0.458 -3.422 1.00 0.00 C ATOM 984 CG2 ILE A 68 -3.816 -2.074 -4.718 1.00 0.00 C ATOM 985 CD1 ILE A 68 -5.072 0.572 -4.519 1.00 0.00 C ATOM 0 H ILE A 68 -7.526 -1.914 -3.092 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.282 -1.757 -5.712 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.050 -2.556 -3.045 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.209 -0.332 -2.956 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.484 -0.274 -2.650 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.960 -1.792 -4.105 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.716 -3.116 -5.023 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.853 -1.439 -5.603 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.180 1.572 -4.098 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.085 0.473 -4.970 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.836 0.415 -5.280 1.00 0.00 H new ATOM 997 N LEU A 69 -6.215 -4.159 -6.308 1.00 0.00 N ATOM 998 CA LEU A 69 -6.167 -5.563 -6.701 1.00 0.00 C ATOM 999 C LEU A 69 -4.725 -6.043 -6.831 1.00 0.00 C ATOM 1000 O LEU A 69 -4.332 -7.031 -6.212 1.00 0.00 O ATOM 1001 CB LEU A 69 -6.906 -5.769 -8.025 1.00 0.00 C ATOM 1002 CG LEU A 69 -8.255 -5.062 -8.157 1.00 0.00 C ATOM 1003 CD1 LEU A 69 -8.653 -4.939 -9.619 1.00 0.00 C ATOM 1004 CD2 LEU A 69 -9.326 -5.805 -7.371 1.00 0.00 C ATOM 0 H LEU A 69 -6.197 -3.502 -7.088 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.657 -6.149 -5.924 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.260 -5.431 -8.835 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.063 -6.838 -8.168 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.159 -4.058 -7.743 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.616 -4.433 -9.693 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.898 -4.363 -10.154 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.731 -5.933 -10.060 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.279 -5.287 -7.476 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.420 -6.821 -7.755 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.046 -5.839 -6.318 1.00 0.00 H new ATOM 1016 N GLU A 70 -3.941 -5.335 -7.638 1.00 0.00 N ATOM 1017 CA GLU A 70 -2.542 -5.688 -7.847 1.00 0.00 C ATOM 1018 C GLU A 70 -1.664 -4.441 -7.878 1.00 0.00 C ATOM 1019 O GLU A 70 -2.139 -3.342 -8.167 1.00 0.00 O ATOM 1020 CB GLU A 70 -2.380 -6.471 -9.152 1.00 0.00 C ATOM 1021 CG GLU A 70 -2.622 -7.963 -9.001 1.00 0.00 C ATOM 1022 CD GLU A 70 -4.087 -8.333 -9.129 1.00 0.00 C ATOM 1023 OE1 GLU A 70 -4.820 -7.613 -9.839 1.00 0.00 O ATOM 1024 OE2 GLU A 70 -4.500 -9.342 -8.521 1.00 0.00 O ATOM 0 H GLU A 70 -4.251 -4.514 -8.158 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.224 -6.314 -7.013 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.073 -6.072 -9.893 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.373 -6.312 -9.539 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.049 -8.499 -9.758 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.252 -8.291 -8.029 1.00 0.00 H new ATOM 1031 N ILE A 71 -0.382 -4.619 -7.577 1.00 0.00 N ATOM 1032 CA ILE A 71 0.562 -3.509 -7.570 1.00 0.00 C ATOM 1033 C ILE A 71 1.877 -3.902 -8.234 1.00 0.00 C ATOM 1034 O ILE A 71 2.665 -4.662 -7.673 1.00 0.00 O ATOM 1035 CB ILE A 71 0.849 -3.022 -6.138 1.00 0.00 C ATOM 1036 CG1 ILE A 71 -0.462 -2.760 -5.393 1.00 0.00 C ATOM 1037 CG2 ILE A 71 1.708 -1.767 -6.166 1.00 0.00 C ATOM 1038 CD1 ILE A 71 -0.305 -2.724 -3.889 1.00 0.00 C ATOM 0 H ILE A 71 0.027 -5.522 -7.335 1.00 0.00 H new ATOM 0 HA ILE A 71 0.100 -2.699 -8.134 1.00 0.00 H new ATOM 0 HB ILE A 71 1.397 -3.801 -5.609 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.878 -1.811 -5.730 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.182 -3.535 -5.657 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.902 -1.436 -5.146 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.654 -1.984 -6.663 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.185 -0.980 -6.710 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.274 -2.534 -3.427 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.082 -3.682 -3.541 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.390 -1.930 -3.615 1.00 0.00 H new ATOM 1050 N ASN A 72 2.109 -3.376 -9.433 1.00 0.00 N ATOM 1051 CA ASN A 72 3.330 -3.671 -10.174 1.00 0.00 C ATOM 1052 C ASN A 72 3.447 -5.165 -10.458 1.00 0.00 C ATOM 1053 O ASN A 72 4.538 -5.732 -10.417 1.00 0.00 O ATOM 1054 CB ASN A 72 4.554 -3.192 -9.391 1.00 0.00 C ATOM 1055 CG ASN A 72 4.910 -1.751 -9.699 1.00 0.00 C ATOM 1056 OD1 ASN A 72 5.429 -1.444 -10.773 1.00 0.00 O ATOM 1057 ND2 ASN A 72 4.632 -0.858 -8.756 1.00 0.00 N ATOM 0 H ASN A 72 1.468 -2.744 -9.912 1.00 0.00 H new ATOM 0 HA ASN A 72 3.285 -3.141 -11.126 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.362 -3.296 -8.323 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.405 -3.832 -9.625 1.00 0.00 H new ATOM 0 HD21 ASN A 72 4.849 0.127 -8.907 1.00 0.00 H new ATOM 0 HD22 ASN A 72 4.202 -1.157 -7.881 1.00 0.00 H new ATOM 1064 N ASN A 73 2.314 -5.797 -10.748 1.00 0.00 N ATOM 1065 CA ASN A 73 2.288 -7.226 -11.039 1.00 0.00 C ATOM 1066 C ASN A 73 2.543 -8.043 -9.776 1.00 0.00 C ATOM 1067 O ASN A 73 3.211 -9.077 -9.818 1.00 0.00 O ATOM 1068 CB ASN A 73 3.334 -7.569 -12.102 1.00 0.00 C ATOM 1069 CG ASN A 73 2.987 -8.831 -12.868 1.00 0.00 C ATOM 1070 OD1 ASN A 73 2.042 -8.852 -13.657 1.00 0.00 O ATOM 1071 ND2 ASN A 73 3.751 -9.892 -12.638 1.00 0.00 N ATOM 0 H ASN A 73 1.402 -5.342 -10.788 1.00 0.00 H new ATOM 0 HA ASN A 73 1.297 -7.477 -11.418 1.00 0.00 H new ATOM 0 HB2 ASN A 73 3.425 -6.737 -12.800 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.306 -7.693 -11.625 1.00 0.00 H new ATOM 0 HD21 ASN A 73 3.565 -10.769 -13.124 1.00 0.00 H new ATOM 0 HD22 ASN A 73 4.524 -9.830 -11.976 1.00 0.00 H new ATOM 1078 N ARG A 74 2.006 -7.573 -8.655 1.00 0.00 N ATOM 1079 CA ARG A 74 2.175 -8.260 -7.380 1.00 0.00 C ATOM 1080 C ARG A 74 0.840 -8.394 -6.654 1.00 0.00 C ATOM 1081 O ARG A 74 0.008 -7.488 -6.691 1.00 0.00 O ATOM 1082 CB ARG A 74 3.173 -7.506 -6.500 1.00 0.00 C ATOM 1083 CG ARG A 74 4.600 -7.548 -7.023 1.00 0.00 C ATOM 1084 CD ARG A 74 5.226 -8.919 -6.823 1.00 0.00 C ATOM 1085 NE ARG A 74 6.652 -8.921 -7.140 1.00 0.00 N ATOM 1086 CZ ARG A 74 7.131 -9.061 -8.371 1.00 0.00 C ATOM 1087 NH1 ARG A 74 6.302 -9.208 -9.396 1.00 0.00 N ATOM 1088 NH2 ARG A 74 8.441 -9.052 -8.580 1.00 0.00 N ATOM 0 H ARG A 74 1.450 -6.719 -8.604 1.00 0.00 H new ATOM 0 HA ARG A 74 2.561 -9.259 -7.582 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.857 -6.466 -6.415 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.151 -7.929 -5.496 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.608 -7.294 -8.083 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.199 -6.795 -6.511 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.084 -9.235 -5.790 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.714 -9.647 -7.452 1.00 0.00 H new ATOM 0 HE ARG A 74 7.316 -8.809 -6.374 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.294 -9.214 -9.240 1.00 0.00 H new ATOM 0 HH12 ARG A 74 6.673 -9.315 -10.340 1.00 0.00 H new ATOM 0 HH21 ARG A 74 9.082 -8.937 -7.795 1.00 0.00 H new ATOM 0 HH22 ARG A 74 8.807 -9.160 -9.526 1.00 0.00 H new ATOM 1102 N ALA A 75 0.643 -9.531 -5.994 1.00 0.00 N ATOM 1103 CA ALA A 75 -0.590 -9.784 -5.258 1.00 0.00 C ATOM 1104 C ALA A 75 -0.586 -9.059 -3.916 1.00 0.00 C ATOM 1105 O ALA A 75 0.267 -9.313 -3.066 1.00 0.00 O ATOM 1106 CB ALA A 75 -0.785 -11.279 -5.053 1.00 0.00 C ATOM 0 H ALA A 75 1.322 -10.291 -5.954 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.422 -9.398 -5.847 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.709 -11.453 -4.502 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.841 -11.775 -6.022 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.056 -11.681 -4.488 1.00 0.00 H new ATOM 1112 N ALA A 76 -1.543 -8.156 -3.734 1.00 0.00 N ATOM 1113 CA ALA A 76 -1.651 -7.396 -2.495 1.00 0.00 C ATOM 1114 C ALA A 76 -1.449 -8.296 -1.280 1.00 0.00 C ATOM 1115 O ALA A 76 -0.625 -8.008 -0.412 1.00 0.00 O ATOM 1116 CB ALA A 76 -3.000 -6.698 -2.419 1.00 0.00 C ATOM 0 H ALA A 76 -2.255 -7.933 -4.429 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.864 -6.642 -2.491 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.066 -6.134 -1.488 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.106 -6.017 -3.264 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.797 -7.441 -2.450 1.00 0.00 H new ATOM 1122 N ASP A 77 -2.207 -9.385 -1.224 1.00 0.00 N ATOM 1123 CA ASP A 77 -2.111 -10.327 -0.115 1.00 0.00 C ATOM 1124 C ASP A 77 -0.669 -10.781 0.090 1.00 0.00 C ATOM 1125 O ASP A 77 -0.212 -10.936 1.221 1.00 0.00 O ATOM 1126 CB ASP A 77 -3.009 -11.539 -0.369 1.00 0.00 C ATOM 1127 CG ASP A 77 -2.711 -12.214 -1.694 1.00 0.00 C ATOM 1128 OD1 ASP A 77 -2.974 -11.596 -2.747 1.00 0.00 O ATOM 1129 OD2 ASP A 77 -2.214 -13.359 -1.677 1.00 0.00 O ATOM 0 H ASP A 77 -2.895 -9.638 -1.934 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.445 -9.820 0.790 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.880 -12.259 0.439 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.052 -11.224 -0.352 1.00 0.00 H new ATOM 1134 N ALA A 78 0.041 -10.992 -1.013 1.00 0.00 N ATOM 1135 CA ALA A 78 1.431 -11.427 -0.955 1.00 0.00 C ATOM 1136 C ALA A 78 2.329 -10.325 -0.403 1.00 0.00 C ATOM 1137 O ALA A 78 3.330 -10.598 0.259 1.00 0.00 O ATOM 1138 CB ALA A 78 1.908 -11.858 -2.334 1.00 0.00 C ATOM 0 H ALA A 78 -0.323 -10.869 -1.958 1.00 0.00 H new ATOM 0 HA ALA A 78 1.490 -12.280 -0.279 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.948 -12.180 -2.275 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.292 -12.683 -2.691 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.827 -11.019 -3.026 1.00 0.00 H new ATOM 1144 N LEU A 79 1.964 -9.078 -0.680 1.00 0.00 N ATOM 1145 CA LEU A 79 2.737 -7.932 -0.211 1.00 0.00 C ATOM 1146 C LEU A 79 2.372 -7.582 1.227 1.00 0.00 C ATOM 1147 O LEU A 79 1.199 -7.577 1.598 1.00 0.00 O ATOM 1148 CB LEU A 79 2.497 -6.725 -1.119 1.00 0.00 C ATOM 1149 CG LEU A 79 2.650 -6.973 -2.620 1.00 0.00 C ATOM 1150 CD1 LEU A 79 2.095 -5.800 -3.414 1.00 0.00 C ATOM 1151 CD2 LEU A 79 4.109 -7.216 -2.975 1.00 0.00 C ATOM 0 H LEU A 79 1.138 -8.834 -1.227 1.00 0.00 H new ATOM 0 HA LEU A 79 3.793 -8.199 -0.243 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.490 -6.351 -0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.189 -5.934 -0.829 1.00 0.00 H new ATOM 0 HG LEU A 79 2.080 -7.865 -2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.212 -5.994 -4.480 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.038 -5.672 -3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.637 -4.892 -3.149 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.198 -7.391 -4.047 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.701 -6.343 -2.699 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.475 -8.088 -2.434 1.00 0.00 H new ATOM 1163 N ASN A 80 3.387 -7.285 2.034 1.00 0.00 N ATOM 1164 CA ASN A 80 3.173 -6.931 3.432 1.00 0.00 C ATOM 1165 C ASN A 80 3.643 -5.507 3.711 1.00 0.00 C ATOM 1166 O ASN A 80 4.252 -4.865 2.855 1.00 0.00 O ATOM 1167 CB ASN A 80 3.910 -7.911 4.347 1.00 0.00 C ATOM 1168 CG ASN A 80 5.406 -7.661 4.376 1.00 0.00 C ATOM 1169 OD1 ASN A 80 6.007 -7.304 3.363 1.00 0.00 O ATOM 1170 ND2 ASN A 80 6.014 -7.849 5.542 1.00 0.00 N ATOM 0 H ASN A 80 4.365 -7.283 1.743 1.00 0.00 H new ATOM 0 HA ASN A 80 2.104 -6.988 3.635 1.00 0.00 H new ATOM 0 HB2 ASN A 80 3.511 -7.830 5.358 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.721 -8.930 4.010 1.00 0.00 H new ATOM 0 HD21 ASN A 80 7.019 -7.697 5.623 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.476 -8.145 6.356 1.00 0.00 H new ATOM 1177 N SER A 81 3.356 -5.019 4.913 1.00 0.00 N ATOM 1178 CA SER A 81 3.746 -3.669 5.304 1.00 0.00 C ATOM 1179 C SER A 81 5.144 -3.338 4.792 1.00 0.00 C ATOM 1180 O SER A 81 5.391 -2.240 4.295 1.00 0.00 O ATOM 1181 CB SER A 81 3.700 -3.523 6.826 1.00 0.00 C ATOM 1182 OG SER A 81 4.353 -2.337 7.244 1.00 0.00 O ATOM 0 H SER A 81 2.855 -5.538 5.634 1.00 0.00 H new ATOM 0 HA SER A 81 3.039 -2.969 4.858 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.663 -3.509 7.162 1.00 0.00 H new ATOM 0 HB3 SER A 81 4.174 -4.387 7.292 1.00 0.00 H new ATOM 0 HG SER A 81 4.309 -2.266 8.220 1.00 0.00 H new ATOM 1188 N SER A 82 6.056 -4.298 4.917 1.00 0.00 N ATOM 1189 CA SER A 82 7.431 -4.108 4.471 1.00 0.00 C ATOM 1190 C SER A 82 7.476 -3.731 2.993 1.00 0.00 C ATOM 1191 O SER A 82 7.946 -2.654 2.630 1.00 0.00 O ATOM 1192 CB SER A 82 8.247 -5.380 4.709 1.00 0.00 C ATOM 1193 OG SER A 82 8.680 -5.464 6.056 1.00 0.00 O ATOM 0 H SER A 82 5.867 -5.214 5.323 1.00 0.00 H new ATOM 0 HA SER A 82 7.865 -3.292 5.050 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.644 -6.254 4.462 1.00 0.00 H new ATOM 0 HB3 SER A 82 9.111 -5.391 4.045 1.00 0.00 H new ATOM 0 HG SER A 82 9.198 -6.286 6.183 1.00 0.00 H new ATOM 1199 N MET A 83 6.982 -4.628 2.145 1.00 0.00 N ATOM 1200 CA MET A 83 6.964 -4.390 0.706 1.00 0.00 C ATOM 1201 C MET A 83 6.231 -3.093 0.379 1.00 0.00 C ATOM 1202 O MET A 83 6.765 -2.222 -0.309 1.00 0.00 O ATOM 1203 CB MET A 83 6.300 -5.562 -0.018 1.00 0.00 C ATOM 1204 CG MET A 83 7.237 -6.733 -0.267 1.00 0.00 C ATOM 1205 SD MET A 83 6.362 -8.233 -0.750 1.00 0.00 S ATOM 1206 CE MET A 83 6.276 -9.095 0.817 1.00 0.00 C ATOM 0 H MET A 83 6.589 -5.525 2.429 1.00 0.00 H new ATOM 0 HA MET A 83 7.995 -4.299 0.365 1.00 0.00 H new ATOM 0 HB2 MET A 83 5.449 -5.907 0.570 1.00 0.00 H new ATOM 0 HB3 MET A 83 5.907 -5.213 -0.973 1.00 0.00 H new ATOM 0 HG2 MET A 83 7.948 -6.464 -1.048 1.00 0.00 H new ATOM 0 HG3 MET A 83 7.815 -6.929 0.636 1.00 0.00 H new ATOM 0 HE1 MET A 83 6.541 -10.142 0.671 1.00 0.00 H new ATOM 0 HE2 MET A 83 6.972 -8.640 1.521 1.00 0.00 H new ATOM 0 HE3 MET A 83 5.263 -9.029 1.214 1.00 0.00 H new ATOM 1216 N LEU A 84 5.005 -2.971 0.875 1.00 0.00 N ATOM 1217 CA LEU A 84 4.197 -1.780 0.636 1.00 0.00 C ATOM 1218 C LEU A 84 5.041 -0.516 0.761 1.00 0.00 C ATOM 1219 O LEU A 84 4.998 0.362 -0.101 1.00 0.00 O ATOM 1220 CB LEU A 84 3.027 -1.726 1.620 1.00 0.00 C ATOM 1221 CG LEU A 84 1.819 -2.596 1.274 1.00 0.00 C ATOM 1222 CD1 LEU A 84 0.933 -2.789 2.495 1.00 0.00 C ATOM 1223 CD2 LEU A 84 1.027 -1.979 0.130 1.00 0.00 C ATOM 0 H LEU A 84 4.548 -3.683 1.446 1.00 0.00 H new ATOM 0 HA LEU A 84 3.806 -1.835 -0.380 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.392 -2.021 2.604 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.693 -0.691 1.700 1.00 0.00 H new ATOM 0 HG LEU A 84 2.179 -3.574 0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.078 -3.411 2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.504 -3.276 3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.581 -1.819 2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.171 -2.612 -0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.677 -0.989 0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.665 -1.894 -0.750 1.00 0.00 H new ATOM 1235 N LYS A 85 5.811 -0.429 1.841 1.00 0.00 N ATOM 1236 CA LYS A 85 6.668 0.726 2.080 1.00 0.00 C ATOM 1237 C LYS A 85 7.629 0.940 0.915 1.00 0.00 C ATOM 1238 O LYS A 85 7.784 2.058 0.423 1.00 0.00 O ATOM 1239 CB LYS A 85 7.457 0.541 3.378 1.00 0.00 C ATOM 1240 CG LYS A 85 8.250 1.770 3.787 1.00 0.00 C ATOM 1241 CD LYS A 85 9.471 1.397 4.612 1.00 0.00 C ATOM 1242 CE LYS A 85 9.076 0.783 5.946 1.00 0.00 C ATOM 1243 NZ LYS A 85 8.936 -0.696 5.856 1.00 0.00 N ATOM 0 H LYS A 85 5.859 -1.146 2.565 1.00 0.00 H new ATOM 0 HA LYS A 85 6.032 1.607 2.171 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.766 0.281 4.180 1.00 0.00 H new ATOM 0 HB3 LYS A 85 8.140 -0.300 3.261 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.564 2.314 2.896 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.612 2.441 4.362 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.087 0.692 4.054 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.080 2.285 4.785 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.826 1.032 6.697 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.134 1.217 6.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.138 -1.121 6.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.966 -0.936 5.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.606 -1.066 5.152 1.00 0.00 H new ATOM 1257 N ASP A 86 8.270 -0.138 0.477 1.00 0.00 N ATOM 1258 CA ASP A 86 9.214 -0.069 -0.633 1.00 0.00 C ATOM 1259 C ASP A 86 8.544 0.495 -1.881 1.00 0.00 C ATOM 1260 O ASP A 86 9.116 1.330 -2.583 1.00 0.00 O ATOM 1261 CB ASP A 86 9.789 -1.455 -0.929 1.00 0.00 C ATOM 1262 CG ASP A 86 11.100 -1.388 -1.688 1.00 0.00 C ATOM 1263 OD1 ASP A 86 11.062 -1.183 -2.919 1.00 0.00 O ATOM 1264 OD2 ASP A 86 12.163 -1.541 -1.051 1.00 0.00 O ATOM 0 H ASP A 86 8.153 -1.070 0.874 1.00 0.00 H new ATOM 0 HA ASP A 86 10.027 0.598 -0.346 1.00 0.00 H new ATOM 0 HB2 ASP A 86 9.942 -1.989 0.009 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.066 -2.029 -1.509 1.00 0.00 H new ATOM 1269 N PHE A 87 7.328 0.033 -2.155 1.00 0.00 N ATOM 1270 CA PHE A 87 6.581 0.489 -3.320 1.00 0.00 C ATOM 1271 C PHE A 87 6.224 1.967 -3.193 1.00 0.00 C ATOM 1272 O PHE A 87 6.169 2.693 -4.187 1.00 0.00 O ATOM 1273 CB PHE A 87 5.307 -0.341 -3.493 1.00 0.00 C ATOM 1274 CG PHE A 87 5.499 -1.560 -4.349 1.00 0.00 C ATOM 1275 CD1 PHE A 87 6.151 -1.472 -5.569 1.00 0.00 C ATOM 1276 CD2 PHE A 87 5.026 -2.795 -3.935 1.00 0.00 C ATOM 1277 CE1 PHE A 87 6.329 -2.592 -6.359 1.00 0.00 C ATOM 1278 CE2 PHE A 87 5.201 -3.919 -4.720 1.00 0.00 C ATOM 1279 CZ PHE A 87 5.852 -3.817 -5.934 1.00 0.00 C ATOM 0 H PHE A 87 6.839 -0.657 -1.585 1.00 0.00 H new ATOM 0 HA PHE A 87 7.213 0.360 -4.199 1.00 0.00 H new ATOM 0 HB2 PHE A 87 4.947 -0.649 -2.511 1.00 0.00 H new ATOM 0 HB3 PHE A 87 4.532 0.285 -3.935 1.00 0.00 H new ATOM 0 HD1 PHE A 87 6.525 -0.516 -5.906 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.515 -2.880 -2.988 1.00 0.00 H new ATOM 0 HE1 PHE A 87 6.840 -2.510 -7.307 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.829 -4.876 -4.385 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.988 -4.694 -6.550 1.00 0.00 H new ATOM 1289 N LEU A 88 5.982 2.407 -1.963 1.00 0.00 N ATOM 1290 CA LEU A 88 5.630 3.799 -1.704 1.00 0.00 C ATOM 1291 C LEU A 88 6.864 4.693 -1.762 1.00 0.00 C ATOM 1292 O LEU A 88 6.754 5.918 -1.811 1.00 0.00 O ATOM 1293 CB LEU A 88 4.955 3.929 -0.337 1.00 0.00 C ATOM 1294 CG LEU A 88 3.510 3.438 -0.252 1.00 0.00 C ATOM 1295 CD1 LEU A 88 3.041 3.406 1.194 1.00 0.00 C ATOM 1296 CD2 LEU A 88 2.597 4.319 -1.092 1.00 0.00 C ATOM 0 H LEU A 88 6.023 1.820 -1.130 1.00 0.00 H new ATOM 0 HA LEU A 88 4.934 4.122 -2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.548 3.378 0.393 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.979 4.978 -0.041 1.00 0.00 H new ATOM 0 HG LEU A 88 3.467 2.423 -0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.010 3.054 1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.677 2.732 1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.099 4.409 1.618 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.572 3.955 -1.020 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.644 5.345 -0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.920 4.290 -2.133 1.00 0.00 H new ATOM 1308 N SER A 89 8.039 4.072 -1.758 1.00 0.00 N ATOM 1309 CA SER A 89 9.295 4.811 -1.808 1.00 0.00 C ATOM 1310 C SER A 89 9.885 4.785 -3.215 1.00 0.00 C ATOM 1311 O SER A 89 11.103 4.794 -3.388 1.00 0.00 O ATOM 1312 CB SER A 89 10.297 4.225 -0.812 1.00 0.00 C ATOM 1313 OG SER A 89 10.134 4.800 0.473 1.00 0.00 O ATOM 0 H SER A 89 8.147 3.058 -1.721 1.00 0.00 H new ATOM 0 HA SER A 89 9.089 5.847 -1.538 1.00 0.00 H new ATOM 0 HB2 SER A 89 10.164 3.145 -0.750 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.313 4.401 -1.167 1.00 0.00 H new ATOM 0 HG SER A 89 10.785 4.408 1.092 1.00 0.00 H new ATOM 1319 N GLN A 90 9.011 4.753 -4.216 1.00 0.00 N ATOM 1320 CA GLN A 90 9.444 4.724 -5.608 1.00 0.00 C ATOM 1321 C GLN A 90 8.884 5.916 -6.377 1.00 0.00 C ATOM 1322 O GLN A 90 7.829 6.458 -6.047 1.00 0.00 O ATOM 1323 CB GLN A 90 9.005 3.419 -6.274 1.00 0.00 C ATOM 1324 CG GLN A 90 9.542 2.174 -5.587 1.00 0.00 C ATOM 1325 CD GLN A 90 9.508 0.952 -6.484 1.00 0.00 C ATOM 1326 OE1 GLN A 90 9.531 1.067 -7.709 1.00 0.00 O ATOM 1327 NE2 GLN A 90 9.454 -0.227 -5.876 1.00 0.00 N ATOM 0 H GLN A 90 7.999 4.747 -4.089 1.00 0.00 H new ATOM 0 HA GLN A 90 10.532 4.783 -5.625 1.00 0.00 H new ATOM 0 HB2 GLN A 90 7.916 3.376 -6.286 1.00 0.00 H new ATOM 0 HB3 GLN A 90 9.336 3.422 -7.313 1.00 0.00 H new ATOM 0 HG2 GLN A 90 10.567 2.355 -5.265 1.00 0.00 H new ATOM 0 HG3 GLN A 90 8.956 1.978 -4.689 1.00 0.00 H new ATOM 0 HE21 GLN A 90 9.437 -0.275 -4.857 1.00 0.00 H new ATOM 0 HE22 GLN A 90 9.430 -1.085 -6.428 1.00 0.00 H new ATOM 1336 N PRO A 91 9.605 6.334 -7.428 1.00 0.00 N ATOM 1337 CA PRO A 91 9.199 7.466 -8.266 1.00 0.00 C ATOM 1338 C PRO A 91 7.969 7.150 -9.111 1.00 0.00 C ATOM 1339 O PRO A 91 7.149 8.026 -9.383 1.00 0.00 O ATOM 1340 CB PRO A 91 10.418 7.699 -9.162 1.00 0.00 C ATOM 1341 CG PRO A 91 11.105 6.379 -9.217 1.00 0.00 C ATOM 1342 CD PRO A 91 10.872 5.734 -7.879 1.00 0.00 C ATOM 0 HA PRO A 91 8.919 8.335 -7.670 1.00 0.00 H new ATOM 0 HB2 PRO A 91 10.121 8.032 -10.156 1.00 0.00 H new ATOM 0 HB3 PRO A 91 11.071 8.468 -8.750 1.00 0.00 H new ATOM 0 HG2 PRO A 91 10.703 5.763 -10.022 1.00 0.00 H new ATOM 0 HG3 PRO A 91 12.171 6.502 -9.411 1.00 0.00 H new ATOM 0 HD2 PRO A 91 10.796 4.650 -7.963 1.00 0.00 H new ATOM 0 HD3 PRO A 91 11.686 5.943 -7.185 1.00 0.00 H new ATOM 1350 N SER A 92 7.847 5.892 -9.523 1.00 0.00 N ATOM 1351 CA SER A 92 6.719 5.461 -10.340 1.00 0.00 C ATOM 1352 C SER A 92 6.027 4.253 -9.717 1.00 0.00 C ATOM 1353 O SER A 92 6.681 3.339 -9.214 1.00 0.00 O ATOM 1354 CB SER A 92 7.188 5.120 -11.756 1.00 0.00 C ATOM 1355 OG SER A 92 7.935 3.916 -11.770 1.00 0.00 O ATOM 0 H SER A 92 8.516 5.153 -9.304 1.00 0.00 H new ATOM 0 HA SER A 92 6.004 6.282 -10.390 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.325 5.024 -12.415 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.798 5.935 -12.146 1.00 0.00 H new ATOM 0 HG SER A 92 8.222 3.719 -12.686 1.00 0.00 H new ATOM 1361 N LEU A 93 4.699 4.256 -9.753 1.00 0.00 N ATOM 1362 CA LEU A 93 3.916 3.161 -9.192 1.00 0.00 C ATOM 1363 C LEU A 93 2.785 2.761 -10.135 1.00 0.00 C ATOM 1364 O LEU A 93 2.184 3.609 -10.793 1.00 0.00 O ATOM 1365 CB LEU A 93 3.343 3.562 -7.831 1.00 0.00 C ATOM 1366 CG LEU A 93 4.241 3.300 -6.622 1.00 0.00 C ATOM 1367 CD1 LEU A 93 3.677 3.977 -5.382 1.00 0.00 C ATOM 1368 CD2 LEU A 93 4.399 1.804 -6.389 1.00 0.00 C ATOM 0 H LEU A 93 4.142 5.005 -10.165 1.00 0.00 H new ATOM 0 HA LEU A 93 4.577 2.304 -9.063 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.105 4.625 -7.858 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.404 3.029 -7.683 1.00 0.00 H new ATOM 0 HG LEU A 93 5.225 3.722 -6.826 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.329 3.780 -4.531 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.616 5.052 -5.551 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.681 3.585 -5.174 1.00 0.00 H new ATOM 0 HD21 LEU A 93 5.041 1.636 -5.525 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.421 1.359 -6.206 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.848 1.344 -7.269 1.00 0.00 H new ATOM 1380 N GLY A 94 2.499 1.464 -10.192 1.00 0.00 N ATOM 1381 CA GLY A 94 1.440 0.975 -11.055 1.00 0.00 C ATOM 1382 C GLY A 94 0.389 0.191 -10.295 1.00 0.00 C ATOM 1383 O GLY A 94 0.621 -0.952 -9.898 1.00 0.00 O ATOM 0 H GLY A 94 2.982 0.743 -9.656 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.967 1.818 -11.558 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.871 0.342 -11.831 1.00 0.00 H new ATOM 1387 N LEU A 95 -0.771 0.805 -10.089 1.00 0.00 N ATOM 1388 CA LEU A 95 -1.863 0.158 -9.369 1.00 0.00 C ATOM 1389 C LEU A 95 -2.939 -0.328 -10.335 1.00 0.00 C ATOM 1390 O LEU A 95 -3.059 0.176 -11.452 1.00 0.00 O ATOM 1391 CB LEU A 95 -2.472 1.124 -8.352 1.00 0.00 C ATOM 1392 CG LEU A 95 -1.485 1.833 -7.424 1.00 0.00 C ATOM 1393 CD1 LEU A 95 -2.086 3.125 -6.892 1.00 0.00 C ATOM 1394 CD2 LEU A 95 -1.080 0.919 -6.277 1.00 0.00 C ATOM 0 H LEU A 95 -0.980 1.750 -10.410 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.457 -0.706 -8.842 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.038 1.881 -8.894 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.184 0.572 -7.738 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.592 2.081 -7.997 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.369 3.616 -6.233 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.324 3.786 -7.726 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.996 2.901 -6.335 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.377 1.440 -5.627 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.965 0.639 -5.705 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.607 0.022 -6.676 1.00 0.00 H new ATOM 1406 N LEU A 96 -3.721 -1.308 -9.896 1.00 0.00 N ATOM 1407 CA LEU A 96 -4.790 -1.861 -10.720 1.00 0.00 C ATOM 1408 C LEU A 96 -6.107 -1.898 -9.951 1.00 0.00 C ATOM 1409 O LEU A 96 -6.349 -2.807 -9.157 1.00 0.00 O ATOM 1410 CB LEU A 96 -4.422 -3.268 -11.192 1.00 0.00 C ATOM 1411 CG LEU A 96 -5.442 -3.963 -12.094 1.00 0.00 C ATOM 1412 CD1 LEU A 96 -5.447 -3.331 -13.478 1.00 0.00 C ATOM 1413 CD2 LEU A 96 -5.145 -5.452 -12.187 1.00 0.00 C ATOM 0 H LEU A 96 -3.635 -1.736 -8.974 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.916 -1.215 -11.589 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.473 -3.214 -11.726 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.259 -3.893 -10.314 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.432 -3.838 -11.655 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.179 -3.838 -14.107 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.709 -2.276 -13.395 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.457 -3.425 -13.925 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.881 -5.930 -12.833 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.148 -5.599 -12.602 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.193 -5.895 -11.192 1.00 0.00 H new ATOM 1425 N VAL A 97 -6.957 -0.905 -10.194 1.00 0.00 N ATOM 1426 CA VAL A 97 -8.251 -0.826 -9.527 1.00 0.00 C ATOM 1427 C VAL A 97 -9.383 -1.195 -10.479 1.00 0.00 C ATOM 1428 O VAL A 97 -9.214 -1.177 -11.698 1.00 0.00 O ATOM 1429 CB VAL A 97 -8.507 0.585 -8.965 1.00 0.00 C ATOM 1430 CG1 VAL A 97 -7.515 0.907 -7.858 1.00 0.00 C ATOM 1431 CG2 VAL A 97 -8.435 1.622 -10.075 1.00 0.00 C ATOM 0 H VAL A 97 -6.772 -0.144 -10.848 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.227 -1.539 -8.703 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.510 0.611 -8.540 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.711 1.908 -7.473 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.621 0.181 -7.052 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.501 0.863 -8.254 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.618 2.613 -9.660 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.446 1.598 -10.532 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -9.189 1.400 -10.830 1.00 0.00 H new ATOM 1441 N ARG A 98 -10.539 -1.530 -9.914 1.00 0.00 N ATOM 1442 CA ARG A 98 -11.700 -1.904 -10.712 1.00 0.00 C ATOM 1443 C ARG A 98 -12.723 -0.773 -10.747 1.00 0.00 C ATOM 1444 O ARG A 98 -12.759 0.076 -9.855 1.00 0.00 O ATOM 1445 CB ARG A 98 -12.345 -3.172 -10.150 1.00 0.00 C ATOM 1446 CG ARG A 98 -13.131 -3.965 -11.181 1.00 0.00 C ATOM 1447 CD ARG A 98 -13.412 -5.380 -10.701 1.00 0.00 C ATOM 1448 NE ARG A 98 -12.341 -6.304 -11.064 1.00 0.00 N ATOM 1449 CZ ARG A 98 -12.370 -7.605 -10.795 1.00 0.00 C ATOM 1450 NH1 ARG A 98 -13.410 -8.131 -10.165 1.00 0.00 N ATOM 1451 NH2 ARG A 98 -11.357 -8.381 -11.158 1.00 0.00 N ATOM 0 H ARG A 98 -10.696 -1.550 -8.906 1.00 0.00 H new ATOM 0 HA ARG A 98 -11.362 -2.097 -11.730 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -11.567 -3.809 -9.730 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -13.010 -2.899 -9.331 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -14.072 -3.457 -11.391 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.573 -4.001 -12.116 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -13.537 -5.377 -9.618 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -14.352 -5.728 -11.129 1.00 0.00 H new ATOM 0 HE ARG A 98 -11.526 -5.930 -11.551 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -14.191 -7.537 -9.885 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -13.430 -9.130 -9.960 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.555 -7.979 -11.644 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.380 -9.380 -10.951 1.00 0.00 H new ATOM 1465 N THR A 99 -13.555 -0.766 -11.785 1.00 0.00 N ATOM 1466 CA THR A 99 -14.577 0.261 -11.938 1.00 0.00 C ATOM 1467 C THR A 99 -15.778 -0.270 -12.712 1.00 0.00 C ATOM 1468 O THR A 99 -15.744 -1.378 -13.246 1.00 0.00 O ATOM 1469 CB THR A 99 -14.023 1.503 -12.661 1.00 0.00 C ATOM 1470 OG1 THR A 99 -14.934 2.599 -12.522 1.00 0.00 O ATOM 1471 CG2 THR A 99 -13.793 1.212 -14.136 1.00 0.00 C ATOM 0 H THR A 99 -13.540 -1.461 -12.532 1.00 0.00 H new ATOM 0 HA THR A 99 -14.892 0.545 -10.934 1.00 0.00 H new ATOM 0 HB THR A 99 -13.068 1.766 -12.205 1.00 0.00 H new ATOM 0 HG1 THR A 99 -14.573 3.385 -12.983 1.00 0.00 H new ATOM 0 HG21 THR A 99 -13.402 2.104 -14.626 1.00 0.00 H new ATOM 0 HG22 THR A 99 -13.076 0.397 -14.239 1.00 0.00 H new ATOM 0 HG23 THR A 99 -14.736 0.926 -14.602 1.00 0.00 H new ATOM 1479 N TYR A 100 -16.839 0.528 -12.769 1.00 0.00 N ATOM 1480 CA TYR A 100 -18.052 0.137 -13.478 1.00 0.00 C ATOM 1481 C TYR A 100 -18.235 0.968 -14.744 1.00 0.00 C ATOM 1482 O TYR A 100 -17.957 2.167 -14.777 1.00 0.00 O ATOM 1483 CB TYR A 100 -19.272 0.297 -12.569 1.00 0.00 C ATOM 1484 CG TYR A 100 -19.168 -0.478 -11.275 1.00 0.00 C ATOM 1485 CD1 TYR A 100 -18.159 -0.209 -10.359 1.00 0.00 C ATOM 1486 CD2 TYR A 100 -20.081 -1.480 -10.968 1.00 0.00 C ATOM 1487 CE1 TYR A 100 -18.061 -0.916 -9.176 1.00 0.00 C ATOM 1488 CE2 TYR A 100 -19.991 -2.191 -9.787 1.00 0.00 C ATOM 1489 CZ TYR A 100 -18.979 -1.906 -8.894 1.00 0.00 C ATOM 1490 OH TYR A 100 -18.885 -2.611 -7.717 1.00 0.00 O ATOM 0 H TYR A 100 -16.884 1.449 -12.333 1.00 0.00 H new ATOM 0 HA TYR A 100 -17.954 -0.910 -13.764 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -19.408 1.354 -12.340 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -20.162 -0.029 -13.108 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -17.439 0.566 -10.575 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -20.874 -1.707 -11.665 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -17.269 -0.695 -8.475 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -20.709 -2.966 -9.564 1.00 0.00 H new ATOM 0 HH TYR A 100 -19.608 -3.271 -7.672 1.00 0.00 H new