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= -3.27! C(o=-5.2!,f=-19!) USER MOD Set 1.2: A 83 MET CE :methyl -170:sc= -1.95! (180deg=-2.2!) USER MOD Set 2.1: A 58 SER OG : rot 180:sc= 0.219 USER MOD Set 2.2: A 63 LYS NZ :NH3+ -112:sc= 0.228 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -110:sc= 0.245 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0154 USER MOD Single : A 17 GLN : amide:sc= -0.946 K(o=-0.95,f=-2.5!) USER MOD Single : A 18 SER OG : rot 32:sc= 0.54 USER MOD Single : A 20 HIS : no HD1:sc= -0.88 X(o=-0.88,f=-0.88) USER MOD Single : A 23 LYS NZ :NH3+ -135:sc= -2.26 (180deg=-5.86!) 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 174:sc= -1.43! USER MOD Single : A 34 SER OG : rot 180:sc= 0 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 61:sc= 1.12 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= -0.159 USER MOD Single : A 52 LYS NZ :NH3+ 149:sc= -1.54! (180deg=-2.56!) USER MOD Single : A 54 THR OG1 : rot -62:sc= 0.959 USER MOD Single : A 59 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0223) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0.165 K(o=0.17,f=-6.1!) USER MOD Single : A 73 ASN : amide:sc= -0.687 X(o=-0.69,f=-0.24) USER MOD Single : A 81 SER OG : rot 180:sc= -0.0347 USER MOD Single : A 82 SER OG : rot 180:sc= 0.00782 USER MOD Single : A 85 LYS NZ :NH3+ 167:sc=-0.00248 (180deg=-0.104) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.115 K(o=-0.12,f=-2.2!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 159 N LYS A 14 -18.092 -4.640 -13.862 1.00 0.00 N ATOM 160 CA LYS A 14 -17.129 -3.548 -13.786 1.00 0.00 C ATOM 161 C LYS A 14 -15.885 -3.862 -14.612 1.00 0.00 C ATOM 162 O LYS A 14 -15.683 -4.997 -15.042 1.00 0.00 O ATOM 163 CB LYS A 14 -16.735 -3.288 -12.330 1.00 0.00 C ATOM 164 CG LYS A 14 -17.891 -2.823 -11.462 1.00 0.00 C ATOM 165 CD LYS A 14 -17.708 -3.248 -10.014 1.00 0.00 C ATOM 166 CE LYS A 14 -16.446 -2.648 -9.413 1.00 0.00 C ATOM 167 NZ LYS A 14 -16.617 -1.204 -9.092 1.00 0.00 N ATOM 0 HA LYS A 14 -17.599 -2.653 -14.194 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -16.318 -4.202 -11.906 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.947 -2.536 -12.304 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -17.974 -1.737 -11.516 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -18.824 -3.233 -11.847 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -18.574 -2.937 -9.430 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -17.659 -4.335 -9.956 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.181 -3.193 -8.507 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.618 -2.769 -10.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.046 -0.633 -9.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -17.619 -0.943 -9.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -16.306 -1.026 -8.116 1.00 0.00 H new ATOM 181 N VAL A 15 -15.053 -2.848 -14.828 1.00 0.00 N ATOM 182 CA VAL A 15 -13.827 -3.016 -15.600 1.00 0.00 C ATOM 183 C VAL A 15 -12.600 -2.665 -14.766 1.00 0.00 C ATOM 184 O VAL A 15 -12.703 -1.982 -13.747 1.00 0.00 O ATOM 185 CB VAL A 15 -13.839 -2.144 -16.870 1.00 0.00 C ATOM 186 CG1 VAL A 15 -14.799 -2.716 -17.902 1.00 0.00 C ATOM 187 CG2 VAL A 15 -14.207 -0.708 -16.526 1.00 0.00 C ATOM 0 H VAL A 15 -15.205 -1.902 -14.479 1.00 0.00 H new ATOM 0 HA VAL A 15 -13.777 -4.065 -15.890 1.00 0.00 H new ATOM 0 HB VAL A 15 -12.838 -2.146 -17.301 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -14.794 -2.087 -18.792 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -14.486 -3.725 -18.170 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -15.806 -2.746 -17.485 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -14.211 -0.106 -17.435 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -15.197 -0.685 -16.071 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.477 -0.303 -15.825 1.00 0.00 H new ATOM 197 N THR A 16 -11.438 -3.135 -15.207 1.00 0.00 N ATOM 198 CA THR A 16 -10.190 -2.872 -14.502 1.00 0.00 C ATOM 199 C THR A 16 -9.344 -1.845 -15.246 1.00 0.00 C ATOM 200 O THR A 16 -9.086 -1.990 -16.441 1.00 0.00 O ATOM 201 CB THR A 16 -9.367 -4.160 -14.315 1.00 0.00 C ATOM 202 OG1 THR A 16 -9.561 -5.032 -15.434 1.00 0.00 O ATOM 203 CG2 THR A 16 -9.765 -4.876 -13.033 1.00 0.00 C ATOM 0 H THR A 16 -11.335 -3.700 -16.050 1.00 0.00 H new ATOM 0 HA THR A 16 -10.458 -2.477 -13.522 1.00 0.00 H new ATOM 0 HB THR A 16 -8.314 -3.885 -14.247 1.00 0.00 H new ATOM 0 HG1 THR A 16 -9.033 -5.848 -15.308 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.170 -5.783 -12.923 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.589 -4.220 -12.180 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.822 -5.139 -13.076 1.00 0.00 H new ATOM 211 N GLN A 17 -8.914 -0.809 -14.533 1.00 0.00 N ATOM 212 CA GLN A 17 -8.097 0.241 -15.128 1.00 0.00 C ATOM 213 C GLN A 17 -6.724 0.303 -14.467 1.00 0.00 C ATOM 214 O GLN A 17 -6.592 0.074 -13.264 1.00 0.00 O ATOM 215 CB GLN A 17 -8.798 1.595 -15.002 1.00 0.00 C ATOM 216 CG GLN A 17 -9.187 1.949 -13.576 1.00 0.00 C ATOM 217 CD GLN A 17 -9.315 3.443 -13.359 1.00 0.00 C ATOM 218 OE1 GLN A 17 -8.656 4.238 -14.030 1.00 0.00 O ATOM 219 NE2 GLN A 17 -10.166 3.835 -12.418 1.00 0.00 N ATOM 0 H GLN A 17 -9.118 -0.675 -13.543 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.962 0.007 -16.184 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.142 2.372 -15.394 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.694 1.590 -15.623 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.134 1.468 -13.332 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.440 1.549 -12.890 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.692 3.142 -11.885 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.294 4.829 -12.228 1.00 0.00 H new ATOM 228 N SER A 18 -5.704 0.613 -15.260 1.00 0.00 N ATOM 229 CA SER A 18 -4.339 0.700 -14.753 1.00 0.00 C ATOM 230 C SER A 18 -3.922 2.155 -14.564 1.00 0.00 C ATOM 231 O SER A 18 -3.900 2.934 -15.518 1.00 0.00 O ATOM 232 CB SER A 18 -3.371 0.000 -15.708 1.00 0.00 C ATOM 233 OG SER A 18 -3.369 0.624 -16.980 1.00 0.00 O ATOM 0 H SER A 18 -5.797 0.808 -16.257 1.00 0.00 H new ATOM 0 HA SER A 18 -4.305 0.201 -13.784 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.365 0.018 -15.289 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.653 -1.047 -15.814 1.00 0.00 H new ATOM 0 HG SER A 18 -3.547 1.582 -16.875 1.00 0.00 H new ATOM 239 N ILE A 19 -3.592 2.514 -13.328 1.00 0.00 N ATOM 240 CA ILE A 19 -3.175 3.875 -13.015 1.00 0.00 C ATOM 241 C ILE A 19 -1.663 3.958 -12.832 1.00 0.00 C ATOM 242 O ILE A 19 -1.130 3.568 -11.792 1.00 0.00 O ATOM 243 CB ILE A 19 -3.864 4.395 -11.739 1.00 0.00 C ATOM 244 CG1 ILE A 19 -5.366 4.562 -11.977 1.00 0.00 C ATOM 245 CG2 ILE A 19 -3.242 5.713 -11.301 1.00 0.00 C ATOM 246 CD1 ILE A 19 -6.170 3.322 -11.657 1.00 0.00 C ATOM 0 H ILE A 19 -3.605 1.882 -12.528 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.472 4.498 -13.859 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.720 3.665 -10.942 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.732 5.389 -11.369 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.532 4.834 -13.019 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.739 6.068 -10.398 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.182 5.565 -11.097 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.359 6.452 -12.094 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.226 3.513 -11.849 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.831 2.497 -12.283 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.034 3.061 -10.608 1.00 0.00 H new ATOM 258 N HIS A 20 -0.977 4.470 -13.849 1.00 0.00 N ATOM 259 CA HIS A 20 0.475 4.606 -13.799 1.00 0.00 C ATOM 260 C HIS A 20 0.873 5.988 -13.290 1.00 0.00 C ATOM 261 O HIS A 20 0.825 6.971 -14.031 1.00 0.00 O ATOM 262 CB HIS A 20 1.078 4.366 -15.184 1.00 0.00 C ATOM 263 CG HIS A 20 0.312 5.020 -16.292 1.00 0.00 C ATOM 264 ND1 HIS A 20 0.632 6.262 -16.797 1.00 0.00 N ATOM 265 CD2 HIS A 20 -0.764 4.595 -16.995 1.00 0.00 C ATOM 266 CE1 HIS A 20 -0.215 6.575 -17.762 1.00 0.00 C ATOM 267 NE2 HIS A 20 -1.073 5.580 -17.902 1.00 0.00 N ATOM 0 H HIS A 20 -1.402 4.797 -14.717 1.00 0.00 H new ATOM 0 HA HIS A 20 0.863 3.858 -13.108 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.103 4.736 -15.194 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.125 3.293 -15.370 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.283 3.657 -16.867 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.207 7.489 -18.338 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.840 5.548 -18.574 1.00 0.00 H new ATOM 276 N ILE A 21 1.266 6.056 -12.023 1.00 0.00 N ATOM 277 CA ILE A 21 1.673 7.317 -11.416 1.00 0.00 C ATOM 278 C ILE A 21 3.192 7.430 -11.348 1.00 0.00 C ATOM 279 O ILE A 21 3.872 6.511 -10.893 1.00 0.00 O ATOM 280 CB ILE A 21 1.094 7.472 -9.998 1.00 0.00 C ATOM 281 CG1 ILE A 21 -0.413 7.207 -10.006 1.00 0.00 C ATOM 282 CG2 ILE A 21 1.389 8.862 -9.454 1.00 0.00 C ATOM 283 CD1 ILE A 21 -0.949 6.724 -8.677 1.00 0.00 C ATOM 0 H ILE A 21 1.311 5.252 -11.397 1.00 0.00 H new ATOM 0 HA ILE A 21 1.280 8.113 -12.049 1.00 0.00 H new ATOM 0 HB ILE A 21 1.569 6.739 -9.346 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.933 8.123 -10.287 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.639 6.464 -10.771 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.973 8.956 -8.451 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.467 9.016 -9.416 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.938 9.611 -10.105 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.023 6.557 -8.757 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.456 5.791 -8.403 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.755 7.475 -7.912 1.00 0.00 H new ATOM 295 N GLU A 22 3.717 8.564 -11.803 1.00 0.00 N ATOM 296 CA GLU A 22 5.157 8.796 -11.792 1.00 0.00 C ATOM 297 C GLU A 22 5.491 10.106 -11.084 1.00 0.00 C ATOM 298 O GLU A 22 4.790 11.106 -11.240 1.00 0.00 O ATOM 299 CB GLU A 22 5.702 8.823 -13.222 1.00 0.00 C ATOM 300 CG GLU A 22 7.137 8.337 -13.335 1.00 0.00 C ATOM 301 CD GLU A 22 7.879 8.975 -14.493 1.00 0.00 C ATOM 302 OE1 GLU A 22 8.377 10.109 -14.325 1.00 0.00 O ATOM 303 OE2 GLU A 22 7.963 8.343 -15.566 1.00 0.00 O ATOM 0 H GLU A 22 3.168 9.335 -12.183 1.00 0.00 H new ATOM 0 HA GLU A 22 5.627 7.978 -11.247 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.067 8.204 -13.856 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.641 9.841 -13.606 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.665 8.554 -12.406 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.141 7.254 -13.458 1.00 0.00 H new ATOM 310 N LYS A 23 6.567 10.092 -10.305 1.00 0.00 N ATOM 311 CA LYS A 23 6.997 11.278 -9.573 1.00 0.00 C ATOM 312 C LYS A 23 8.431 11.650 -9.934 1.00 0.00 C ATOM 313 O LYS A 23 9.232 10.791 -10.303 1.00 0.00 O ATOM 314 CB LYS A 23 6.886 11.039 -8.065 1.00 0.00 C ATOM 315 CG LYS A 23 5.485 11.253 -7.517 1.00 0.00 C ATOM 316 CD LYS A 23 5.518 11.715 -6.070 1.00 0.00 C ATOM 317 CE LYS A 23 4.298 12.556 -5.726 1.00 0.00 C ATOM 318 NZ LYS A 23 4.103 13.672 -6.692 1.00 0.00 N ATOM 0 H LYS A 23 7.158 9.272 -10.164 1.00 0.00 H new ATOM 0 HA LYS A 23 6.344 12.104 -9.854 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.202 10.020 -7.843 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.575 11.707 -7.548 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.965 11.993 -8.125 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.918 10.325 -7.591 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.561 10.848 -5.411 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.423 12.296 -5.893 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.411 11.923 -5.719 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.408 12.961 -4.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.890 14.547 -6.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.971 13.803 -7.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.312 13.446 -7.329 1.00 0.00 H new ATOM 332 N SER A 24 8.749 12.936 -9.824 1.00 0.00 N ATOM 333 CA SER A 24 10.087 13.423 -10.142 1.00 0.00 C ATOM 334 C SER A 24 11.016 13.281 -8.940 1.00 0.00 C ATOM 335 O SER A 24 12.162 12.852 -9.075 1.00 0.00 O ATOM 336 CB SER A 24 10.028 14.885 -10.586 1.00 0.00 C ATOM 337 OG SER A 24 9.029 15.080 -11.571 1.00 0.00 O ATOM 0 H SER A 24 8.099 13.660 -9.517 1.00 0.00 H new ATOM 0 HA SER A 24 10.483 12.819 -10.958 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.823 15.521 -9.725 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.997 15.187 -10.982 1.00 0.00 H new ATOM 0 HG SER A 24 9.011 16.023 -11.836 1.00 0.00 H new ATOM 343 N ASP A 25 10.513 13.644 -7.766 1.00 0.00 N ATOM 344 CA ASP A 25 11.297 13.558 -6.539 1.00 0.00 C ATOM 345 C ASP A 25 10.420 13.135 -5.363 1.00 0.00 C ATOM 346 O ASP A 25 9.377 13.736 -5.105 1.00 0.00 O ATOM 347 CB ASP A 25 11.963 14.901 -6.237 1.00 0.00 C ATOM 348 CG ASP A 25 13.187 14.755 -5.355 1.00 0.00 C ATOM 349 OD1 ASP A 25 13.923 13.760 -5.522 1.00 0.00 O ATOM 350 OD2 ASP A 25 13.409 15.636 -4.497 1.00 0.00 O ATOM 0 H ASP A 25 9.566 14.001 -7.637 1.00 0.00 H new ATOM 0 HA ASP A 25 12.070 12.803 -6.684 1.00 0.00 H new ATOM 0 HB2 ASP A 25 12.249 15.380 -7.173 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.243 15.558 -5.749 1.00 0.00 H new ATOM 355 N THR A 26 10.851 12.097 -4.654 1.00 0.00 N ATOM 356 CA THR A 26 10.105 11.592 -3.508 1.00 0.00 C ATOM 357 C THR A 26 10.391 12.418 -2.259 1.00 0.00 C ATOM 358 O THR A 26 9.570 12.483 -1.345 1.00 0.00 O ATOM 359 CB THR A 26 10.444 10.117 -3.222 1.00 0.00 C ATOM 360 OG1 THR A 26 11.833 9.986 -2.902 1.00 0.00 O ATOM 361 CG2 THR A 26 10.110 9.243 -4.422 1.00 0.00 C ATOM 0 H THR A 26 11.713 11.589 -4.853 1.00 0.00 H new ATOM 0 HA THR A 26 9.047 11.672 -3.760 1.00 0.00 H new ATOM 0 HB THR A 26 9.844 9.787 -2.374 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.039 9.045 -2.720 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.358 8.206 -4.197 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.046 9.322 -4.645 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.687 9.575 -5.285 1.00 0.00 H new ATOM 369 N ALA A 27 11.561 13.049 -2.227 1.00 0.00 N ATOM 370 CA ALA A 27 11.954 13.873 -1.091 1.00 0.00 C ATOM 371 C ALA A 27 11.020 15.069 -0.932 1.00 0.00 C ATOM 372 O ALA A 27 10.715 15.485 0.186 1.00 0.00 O ATOM 373 CB ALA A 27 13.392 14.343 -1.252 1.00 0.00 C ATOM 0 H ALA A 27 12.253 13.005 -2.975 1.00 0.00 H new ATOM 0 HA ALA A 27 11.881 13.264 -0.190 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.672 14.957 -0.396 1.00 0.00 H new ATOM 0 HB2 ALA A 27 14.053 13.478 -1.310 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.483 14.931 -2.166 1.00 0.00 H new ATOM 379 N ALA A 28 10.570 15.617 -2.056 1.00 0.00 N ATOM 380 CA ALA A 28 9.670 16.763 -2.040 1.00 0.00 C ATOM 381 C ALA A 28 8.229 16.333 -2.287 1.00 0.00 C ATOM 382 O ALA A 28 7.405 16.334 -1.371 1.00 0.00 O ATOM 383 CB ALA A 28 10.103 17.788 -3.078 1.00 0.00 C ATOM 0 H ALA A 28 10.814 15.285 -2.989 1.00 0.00 H new ATOM 0 HA ALA A 28 9.720 17.220 -1.051 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.422 18.639 -3.055 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.115 18.127 -2.855 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.083 17.334 -4.069 1.00 0.00 H new ATOM 389 N ASP A 29 7.930 15.966 -3.528 1.00 0.00 N ATOM 390 CA ASP A 29 6.587 15.533 -3.895 1.00 0.00 C ATOM 391 C ASP A 29 6.353 14.082 -3.487 1.00 0.00 C ATOM 392 O ASP A 29 7.111 13.189 -3.868 1.00 0.00 O ATOM 393 CB ASP A 29 6.369 15.694 -5.400 1.00 0.00 C ATOM 394 CG ASP A 29 7.103 16.894 -5.966 1.00 0.00 C ATOM 395 OD1 ASP A 29 8.348 16.843 -6.048 1.00 0.00 O ATOM 396 OD2 ASP A 29 6.433 17.885 -6.326 1.00 0.00 O ATOM 0 H ASP A 29 8.600 15.960 -4.297 1.00 0.00 H new ATOM 0 HA ASP A 29 5.872 16.161 -3.363 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.705 14.792 -5.911 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.303 15.796 -5.601 1.00 0.00 H new ATOM 401 N THR A 30 5.300 13.853 -2.710 1.00 0.00 N ATOM 402 CA THR A 30 4.967 12.511 -2.248 1.00 0.00 C ATOM 403 C THR A 30 3.538 12.139 -2.623 1.00 0.00 C ATOM 404 O THR A 30 2.620 12.950 -2.494 1.00 0.00 O ATOM 405 CB THR A 30 5.136 12.384 -0.722 1.00 0.00 C ATOM 406 OG1 THR A 30 5.021 11.012 -0.329 1.00 0.00 O ATOM 407 CG2 THR A 30 4.092 13.215 0.008 1.00 0.00 C ATOM 0 H THR A 30 4.662 14.580 -2.387 1.00 0.00 H new ATOM 0 HA THR A 30 5.658 11.827 -2.740 1.00 0.00 H new ATOM 0 HB THR A 30 6.125 12.756 -0.455 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.131 10.940 0.642 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.231 13.110 1.084 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.201 14.263 -0.271 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.095 12.868 -0.265 1.00 0.00 H new ATOM 415 N TYR A 31 3.354 10.908 -3.087 1.00 0.00 N ATOM 416 CA TYR A 31 2.035 10.429 -3.483 1.00 0.00 C ATOM 417 C TYR A 31 0.952 11.001 -2.573 1.00 0.00 C ATOM 418 O TYR A 31 -0.109 11.416 -3.037 1.00 0.00 O ATOM 419 CB TYR A 31 1.992 8.900 -3.446 1.00 0.00 C ATOM 420 CG TYR A 31 2.913 8.244 -4.450 1.00 0.00 C ATOM 421 CD1 TYR A 31 2.857 8.581 -5.797 1.00 0.00 C ATOM 422 CD2 TYR A 31 3.839 7.289 -4.052 1.00 0.00 C ATOM 423 CE1 TYR A 31 3.695 7.983 -6.718 1.00 0.00 C ATOM 424 CE2 TYR A 31 4.683 6.687 -4.965 1.00 0.00 C ATOM 425 CZ TYR A 31 4.607 7.037 -6.297 1.00 0.00 C ATOM 426 OH TYR A 31 5.445 6.441 -7.211 1.00 0.00 O ATOM 0 H TYR A 31 4.102 10.223 -3.198 1.00 0.00 H new ATOM 0 HA TYR A 31 1.845 10.767 -4.502 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.259 8.561 -2.445 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.970 8.569 -3.632 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.146 9.323 -6.129 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.901 7.012 -3.010 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.637 8.254 -7.762 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.398 5.947 -4.638 1.00 0.00 H new ATOM 0 HH TYR A 31 6.090 5.872 -6.741 1.00 0.00 H new ATOM 436 N GLY A 32 1.230 11.020 -1.273 1.00 0.00 N ATOM 437 CA GLY A 32 0.271 11.543 -0.317 1.00 0.00 C ATOM 438 C GLY A 32 -0.804 10.535 0.038 1.00 0.00 C ATOM 439 O GLY A 32 -1.484 10.674 1.054 1.00 0.00 O ATOM 0 H GLY A 32 2.102 10.683 -0.865 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.795 11.845 0.590 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.196 12.438 -0.728 1.00 0.00 H new ATOM 443 N PHE A 33 -0.959 9.518 -0.803 1.00 0.00 N ATOM 444 CA PHE A 33 -1.961 8.483 -0.575 1.00 0.00 C ATOM 445 C PHE A 33 -1.319 7.218 -0.016 1.00 0.00 C ATOM 446 O PHE A 33 -0.330 6.720 -0.554 1.00 0.00 O ATOM 447 CB PHE A 33 -2.699 8.162 -1.876 1.00 0.00 C ATOM 448 CG PHE A 33 -2.048 7.074 -2.681 1.00 0.00 C ATOM 449 CD1 PHE A 33 -2.267 5.741 -2.374 1.00 0.00 C ATOM 450 CD2 PHE A 33 -1.216 7.384 -3.745 1.00 0.00 C ATOM 451 CE1 PHE A 33 -1.670 4.737 -3.113 1.00 0.00 C ATOM 452 CE2 PHE A 33 -0.617 6.385 -4.488 1.00 0.00 C ATOM 453 CZ PHE A 33 -0.843 5.059 -4.171 1.00 0.00 C ATOM 0 H PHE A 33 -0.404 9.388 -1.649 1.00 0.00 H new ATOM 0 HA PHE A 33 -2.676 8.860 0.156 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.722 7.867 -1.641 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.759 9.066 -2.483 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.912 5.483 -1.547 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.034 8.418 -3.996 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.850 3.702 -2.863 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.028 6.640 -5.316 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.374 4.277 -4.749 1.00 0.00 H new ATOM 463 N SER A 34 -1.888 6.702 1.069 1.00 0.00 N ATOM 464 CA SER A 34 -1.369 5.497 1.705 1.00 0.00 C ATOM 465 C SER A 34 -2.289 4.307 1.448 1.00 0.00 C ATOM 466 O SER A 34 -3.351 4.449 0.841 1.00 0.00 O ATOM 467 CB SER A 34 -1.210 5.717 3.211 1.00 0.00 C ATOM 468 OG SER A 34 0.040 6.315 3.510 1.00 0.00 O ATOM 0 H SER A 34 -2.709 7.100 1.526 1.00 0.00 H new ATOM 0 HA SER A 34 -0.393 5.280 1.272 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.017 6.352 3.576 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.294 4.763 3.732 1.00 0.00 H new ATOM 0 HG SER A 34 0.116 6.447 4.478 1.00 0.00 H new ATOM 474 N LEU A 35 -1.874 3.135 1.915 1.00 0.00 N ATOM 475 CA LEU A 35 -2.660 1.919 1.737 1.00 0.00 C ATOM 476 C LEU A 35 -2.816 1.173 3.058 1.00 0.00 C ATOM 477 O LEU A 35 -1.851 0.999 3.802 1.00 0.00 O ATOM 478 CB LEU A 35 -1.999 1.009 0.699 1.00 0.00 C ATOM 479 CG LEU A 35 -1.952 1.546 -0.732 1.00 0.00 C ATOM 480 CD1 LEU A 35 -0.857 0.851 -1.526 1.00 0.00 C ATOM 481 CD2 LEU A 35 -3.301 1.369 -1.412 1.00 0.00 C ATOM 0 H LEU A 35 -0.998 3.001 2.420 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.651 2.204 1.383 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.978 0.804 1.022 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.528 0.056 0.691 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.724 2.611 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.838 1.246 -2.542 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.107 1.029 -1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.054 -0.221 -1.557 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.249 1.757 -2.429 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.558 0.310 -1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.064 1.913 -0.855 1.00 0.00 H new ATOM 493 N SER A 36 -4.038 0.733 3.342 1.00 0.00 N ATOM 494 CA SER A 36 -4.322 0.006 4.574 1.00 0.00 C ATOM 495 C SER A 36 -4.719 -1.436 4.275 1.00 0.00 C ATOM 496 O SER A 36 -5.522 -1.698 3.380 1.00 0.00 O ATOM 497 CB SER A 36 -5.437 0.703 5.356 1.00 0.00 C ATOM 498 OG SER A 36 -5.987 -0.159 6.337 1.00 0.00 O ATOM 0 H SER A 36 -4.847 0.867 2.736 1.00 0.00 H new ATOM 0 HA SER A 36 -3.415 -0.004 5.179 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.044 1.600 5.835 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.220 1.025 4.670 1.00 0.00 H new ATOM 0 HG SER A 36 -6.696 0.310 6.824 1.00 0.00 H new ATOM 504 N SER A 37 -4.150 -2.369 5.033 1.00 0.00 N ATOM 505 CA SER A 37 -4.441 -3.786 4.848 1.00 0.00 C ATOM 506 C SER A 37 -5.610 -4.219 5.727 1.00 0.00 C ATOM 507 O SER A 37 -5.714 -3.817 6.886 1.00 0.00 O ATOM 508 CB SER A 37 -3.206 -4.628 5.171 1.00 0.00 C ATOM 509 OG SER A 37 -2.834 -4.487 6.531 1.00 0.00 O ATOM 0 H SER A 37 -3.485 -2.169 5.780 1.00 0.00 H new ATOM 0 HA SER A 37 -4.716 -3.942 3.805 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.410 -5.676 4.953 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.378 -4.325 4.531 1.00 0.00 H new ATOM 0 HG SER A 37 -2.043 -5.036 6.712 1.00 0.00 H new ATOM 515 N VAL A 38 -6.490 -5.043 5.166 1.00 0.00 N ATOM 516 CA VAL A 38 -7.652 -5.533 5.898 1.00 0.00 C ATOM 517 C VAL A 38 -7.932 -6.996 5.569 1.00 0.00 C ATOM 518 O VAL A 38 -8.167 -7.348 4.414 1.00 0.00 O ATOM 519 CB VAL A 38 -8.908 -4.699 5.582 1.00 0.00 C ATOM 520 CG1 VAL A 38 -10.069 -5.124 6.467 1.00 0.00 C ATOM 521 CG2 VAL A 38 -8.616 -3.215 5.747 1.00 0.00 C ATOM 0 H VAL A 38 -6.420 -5.385 4.208 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.420 -5.439 6.959 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.190 -4.878 4.545 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -10.947 -4.523 6.229 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -10.292 -6.177 6.294 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.802 -4.977 7.513 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.514 -2.640 5.520 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.308 -3.017 6.774 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.817 -2.924 5.066 1.00 0.00 H new ATOM 531 N GLU A 39 -7.904 -7.842 6.594 1.00 0.00 N ATOM 532 CA GLU A 39 -8.155 -9.267 6.413 1.00 0.00 C ATOM 533 C GLU A 39 -9.630 -9.593 6.629 1.00 0.00 C ATOM 534 O GLU A 39 -10.184 -9.330 7.696 1.00 0.00 O ATOM 535 CB GLU A 39 -7.295 -10.085 7.379 1.00 0.00 C ATOM 536 CG GLU A 39 -6.927 -11.462 6.850 1.00 0.00 C ATOM 537 CD GLU A 39 -6.743 -12.482 7.957 1.00 0.00 C ATOM 538 OE1 GLU A 39 -7.743 -12.824 8.622 1.00 0.00 O ATOM 539 OE2 GLU A 39 -5.598 -12.938 8.157 1.00 0.00 O ATOM 0 H GLU A 39 -7.710 -7.566 7.557 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.889 -9.529 5.389 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.381 -9.532 7.596 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.830 -10.198 8.322 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.706 -11.806 6.170 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.007 -11.390 6.270 1.00 0.00 H new ATOM 546 N GLU A 40 -10.259 -10.165 5.607 1.00 0.00 N ATOM 547 CA GLU A 40 -11.670 -10.525 5.685 1.00 0.00 C ATOM 548 C GLU A 40 -11.882 -11.984 5.294 1.00 0.00 C ATOM 549 O GLU A 40 -11.829 -12.336 4.115 1.00 0.00 O ATOM 550 CB GLU A 40 -12.502 -9.616 4.777 1.00 0.00 C ATOM 551 CG GLU A 40 -13.924 -9.403 5.267 1.00 0.00 C ATOM 552 CD GLU A 40 -14.903 -9.168 4.132 1.00 0.00 C ATOM 553 OE1 GLU A 40 -14.648 -8.266 3.307 1.00 0.00 O ATOM 554 OE2 GLU A 40 -15.922 -9.886 4.070 1.00 0.00 O ATOM 0 H GLU A 40 -9.815 -10.389 4.717 1.00 0.00 H new ATOM 0 HA GLU A 40 -11.996 -10.393 6.717 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.007 -8.649 4.693 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.532 -10.046 3.776 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -14.241 -10.274 5.841 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.947 -8.549 5.944 1.00 0.00 H new ATOM 561 N ASP A 41 -12.122 -12.829 6.291 1.00 0.00 N ATOM 562 CA ASP A 41 -12.343 -14.250 6.052 1.00 0.00 C ATOM 563 C ASP A 41 -11.091 -14.906 5.477 1.00 0.00 C ATOM 564 O ASP A 41 -11.176 -15.795 4.631 1.00 0.00 O ATOM 565 CB ASP A 41 -13.523 -14.453 5.100 1.00 0.00 C ATOM 566 CG ASP A 41 -14.210 -15.788 5.305 1.00 0.00 C ATOM 567 OD1 ASP A 41 -13.502 -16.815 5.373 1.00 0.00 O ATOM 568 OD2 ASP A 41 -15.455 -15.807 5.396 1.00 0.00 O ATOM 0 H ASP A 41 -12.168 -12.554 7.272 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.573 -14.722 7.008 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -14.246 -13.650 5.245 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -13.172 -14.383 4.071 1.00 0.00 H new ATOM 573 N GLY A 42 -9.928 -14.458 5.941 1.00 0.00 N ATOM 574 CA GLY A 42 -8.675 -15.011 5.461 1.00 0.00 C ATOM 575 C GLY A 42 -8.110 -14.233 4.290 1.00 0.00 C ATOM 576 O GLY A 42 -6.893 -14.174 4.105 1.00 0.00 O ATOM 0 H GLY A 42 -9.831 -13.722 6.641 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.949 -15.017 6.274 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.829 -16.048 5.164 1.00 0.00 H new ATOM 580 N ILE A 43 -8.992 -13.636 3.496 1.00 0.00 N ATOM 581 CA ILE A 43 -8.573 -12.859 2.336 1.00 0.00 C ATOM 582 C ILE A 43 -8.087 -11.474 2.749 1.00 0.00 C ATOM 583 O ILE A 43 -8.858 -10.660 3.258 1.00 0.00 O ATOM 584 CB ILE A 43 -9.718 -12.706 1.317 1.00 0.00 C ATOM 585 CG1 ILE A 43 -10.176 -14.079 0.822 1.00 0.00 C ATOM 586 CG2 ILE A 43 -9.276 -11.836 0.150 1.00 0.00 C ATOM 587 CD1 ILE A 43 -11.551 -14.066 0.191 1.00 0.00 C ATOM 0 H ILE A 43 -10.002 -13.675 3.635 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.753 -13.405 1.870 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.560 -12.219 1.809 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.455 -14.453 0.095 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.176 -14.777 1.659 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.096 -11.737 -0.561 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.994 -10.849 0.518 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.421 -12.297 -0.344 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -11.810 -15.073 -0.137 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -12.283 -13.722 0.921 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -11.551 -13.394 -0.667 1.00 0.00 H new ATOM 599 N ARG A 44 -6.803 -11.213 2.525 1.00 0.00 N ATOM 600 CA ARG A 44 -6.214 -9.926 2.874 1.00 0.00 C ATOM 601 C ARG A 44 -6.198 -8.990 1.668 1.00 0.00 C ATOM 602 O ARG A 44 -5.679 -9.338 0.607 1.00 0.00 O ATOM 603 CB ARG A 44 -4.791 -10.119 3.401 1.00 0.00 C ATOM 604 CG ARG A 44 -4.057 -8.814 3.665 1.00 0.00 C ATOM 605 CD ARG A 44 -3.289 -8.348 2.438 1.00 0.00 C ATOM 606 NE ARG A 44 -1.924 -8.865 2.418 1.00 0.00 N ATOM 607 CZ ARG A 44 -0.975 -8.471 3.260 1.00 0.00 C ATOM 608 NH1 ARG A 44 -1.243 -7.559 4.185 1.00 0.00 N ATOM 609 NH2 ARG A 44 0.244 -8.988 3.179 1.00 0.00 N ATOM 0 H ARG A 44 -6.151 -11.875 2.104 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.826 -9.475 3.655 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.830 -10.697 4.324 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.222 -10.707 2.680 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.772 -8.047 3.961 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.367 -8.946 4.499 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.812 -8.672 1.538 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.264 -7.258 2.418 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.686 -9.568 1.718 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.179 -7.159 4.251 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.513 -7.258 4.831 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.454 -9.690 2.469 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.971 -8.684 3.827 1.00 0.00 H new ATOM 623 N ARG A 45 -6.771 -7.804 1.839 1.00 0.00 N ATOM 624 CA ARG A 45 -6.825 -6.819 0.765 1.00 0.00 C ATOM 625 C ARG A 45 -6.334 -5.458 1.249 1.00 0.00 C ATOM 626 O ARG A 45 -6.148 -5.244 2.448 1.00 0.00 O ATOM 627 CB ARG A 45 -8.253 -6.696 0.228 1.00 0.00 C ATOM 628 CG ARG A 45 -8.791 -7.986 -0.371 1.00 0.00 C ATOM 629 CD ARG A 45 -10.305 -7.945 -0.509 1.00 0.00 C ATOM 630 NE ARG A 45 -10.781 -8.824 -1.574 1.00 0.00 N ATOM 631 CZ ARG A 45 -10.775 -8.491 -2.860 1.00 0.00 C ATOM 632 NH1 ARG A 45 -10.321 -7.304 -3.238 1.00 0.00 N ATOM 633 NH2 ARG A 45 -11.225 -9.345 -3.770 1.00 0.00 N ATOM 0 H ARG A 45 -7.205 -7.501 2.711 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.170 -7.158 -0.037 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.911 -6.379 1.037 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.281 -5.914 -0.530 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -8.339 -8.151 -1.349 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.504 -8.828 0.258 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.763 -8.239 0.435 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.623 -6.923 -0.713 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.138 -9.744 -1.316 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.975 -6.645 -2.541 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.317 -7.050 -4.226 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -11.576 -10.258 -3.483 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.220 -9.088 -4.757 1.00 0.00 H new ATOM 647 N LEU A 46 -6.124 -4.542 0.310 1.00 0.00 N ATOM 648 CA LEU A 46 -5.654 -3.202 0.640 1.00 0.00 C ATOM 649 C LEU A 46 -6.672 -2.148 0.219 1.00 0.00 C ATOM 650 O LEU A 46 -7.502 -2.388 -0.658 1.00 0.00 O ATOM 651 CB LEU A 46 -4.310 -2.930 -0.039 1.00 0.00 C ATOM 652 CG LEU A 46 -3.078 -3.513 0.654 1.00 0.00 C ATOM 653 CD1 LEU A 46 -2.694 -2.669 1.860 1.00 0.00 C ATOM 654 CD2 LEU A 46 -3.331 -4.955 1.068 1.00 0.00 C ATOM 0 H LEU A 46 -6.272 -4.703 -0.686 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.526 -3.145 1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.352 -3.325 -1.054 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.179 -1.851 -0.122 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.248 -3.499 -0.052 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.815 -3.099 2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.469 -1.653 1.536 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.522 -2.649 2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.443 -5.353 1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.175 -4.993 1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.556 -5.553 0.185 1.00 0.00 H new ATOM 666 N TYR A 47 -6.601 -0.979 0.847 1.00 0.00 N ATOM 667 CA TYR A 47 -7.517 0.112 0.537 1.00 0.00 C ATOM 668 C TYR A 47 -6.819 1.462 0.664 1.00 0.00 C ATOM 669 O TYR A 47 -5.915 1.632 1.483 1.00 0.00 O ATOM 670 CB TYR A 47 -8.733 0.064 1.464 1.00 0.00 C ATOM 671 CG TYR A 47 -9.601 -1.157 1.262 1.00 0.00 C ATOM 672 CD1 TYR A 47 -10.560 -1.194 0.258 1.00 0.00 C ATOM 673 CD2 TYR A 47 -9.461 -2.275 2.075 1.00 0.00 C ATOM 674 CE1 TYR A 47 -11.356 -2.307 0.071 1.00 0.00 C ATOM 675 CE2 TYR A 47 -10.251 -3.394 1.894 1.00 0.00 C ATOM 676 CZ TYR A 47 -11.198 -3.405 0.891 1.00 0.00 C ATOM 677 OH TYR A 47 -11.988 -4.516 0.706 1.00 0.00 O ATOM 0 H TYR A 47 -5.919 -0.763 1.574 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.850 -0.009 -0.494 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.392 0.089 2.499 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.336 0.958 1.305 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -10.685 -0.337 -0.388 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.722 -2.269 2.862 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -12.098 -2.318 -0.713 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.128 -4.255 2.534 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.833 -4.882 -0.190 1.00 0.00 H new ATOM 687 N VAL A 48 -7.245 2.421 -0.152 1.00 0.00 N ATOM 688 CA VAL A 48 -6.663 3.758 -0.130 1.00 0.00 C ATOM 689 C VAL A 48 -7.210 4.576 1.034 1.00 0.00 C ATOM 690 O VAL A 48 -8.259 5.208 0.923 1.00 0.00 O ATOM 691 CB VAL A 48 -6.938 4.510 -1.446 1.00 0.00 C ATOM 692 CG1 VAL A 48 -6.422 5.939 -1.362 1.00 0.00 C ATOM 693 CG2 VAL A 48 -6.308 3.776 -2.620 1.00 0.00 C ATOM 0 H VAL A 48 -7.991 2.297 -0.836 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.587 3.634 -0.009 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.016 4.547 -1.605 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.625 6.455 -2.300 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.923 6.459 -0.546 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.347 5.928 -1.179 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.512 4.321 -3.542 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.231 3.707 -2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.729 2.773 -2.691 1.00 0.00 H new ATOM 703 N ASN A 49 -6.489 4.560 2.151 1.00 0.00 N ATOM 704 CA ASN A 49 -6.902 5.302 3.337 1.00 0.00 C ATOM 705 C ASN A 49 -7.148 6.770 3.003 1.00 0.00 C ATOM 706 O ASN A 49 -8.231 7.300 3.252 1.00 0.00 O ATOM 707 CB ASN A 49 -5.838 5.188 4.431 1.00 0.00 C ATOM 708 CG ASN A 49 -6.297 5.781 5.748 1.00 0.00 C ATOM 709 OD1 ASN A 49 -5.883 6.876 6.127 1.00 0.00 O ATOM 710 ND2 ASN A 49 -7.159 5.057 6.454 1.00 0.00 N ATOM 0 H ASN A 49 -5.617 4.042 2.260 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.835 4.869 3.699 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.583 4.139 4.578 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.930 5.694 4.105 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.504 5.404 7.349 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.476 4.154 6.101 1.00 0.00 H new ATOM 717 N SER A 50 -6.137 7.420 2.436 1.00 0.00 N ATOM 718 CA SER A 50 -6.242 8.828 2.071 1.00 0.00 C ATOM 719 C SER A 50 -5.563 9.093 0.730 1.00 0.00 C ATOM 720 O SER A 50 -4.881 8.226 0.184 1.00 0.00 O ATOM 721 CB SER A 50 -5.616 9.707 3.155 1.00 0.00 C ATOM 722 OG SER A 50 -5.837 11.081 2.888 1.00 0.00 O ATOM 0 H SER A 50 -5.236 6.994 2.219 1.00 0.00 H new ATOM 0 HA SER A 50 -7.299 9.076 1.979 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.039 9.449 4.126 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.545 9.512 3.212 1.00 0.00 H new ATOM 0 HG SER A 50 -5.429 11.622 3.596 1.00 0.00 H new ATOM 728 N VAL A 51 -5.755 10.299 0.205 1.00 0.00 N ATOM 729 CA VAL A 51 -5.161 10.681 -1.071 1.00 0.00 C ATOM 730 C VAL A 51 -4.832 12.169 -1.100 1.00 0.00 C ATOM 731 O VAL A 51 -5.495 12.976 -0.448 1.00 0.00 O ATOM 732 CB VAL A 51 -6.098 10.350 -2.247 1.00 0.00 C ATOM 733 CG1 VAL A 51 -5.415 10.645 -3.574 1.00 0.00 C ATOM 734 CG2 VAL A 51 -6.544 8.897 -2.180 1.00 0.00 C ATOM 0 H VAL A 51 -6.317 11.028 0.644 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.241 10.107 -1.177 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.983 10.982 -2.172 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.093 10.405 -4.393 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.150 11.701 -3.620 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.512 10.040 -3.661 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.206 8.680 -3.019 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.671 8.246 -2.229 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.075 8.722 -1.244 1.00 0.00 H new ATOM 744 N LYS A 52 -3.804 12.527 -1.862 1.00 0.00 N ATOM 745 CA LYS A 52 -3.386 13.919 -1.979 1.00 0.00 C ATOM 746 C LYS A 52 -4.415 14.732 -2.757 1.00 0.00 C ATOM 747 O LYS A 52 -4.660 14.475 -3.935 1.00 0.00 O ATOM 748 CB LYS A 52 -2.023 14.007 -2.670 1.00 0.00 C ATOM 749 CG LYS A 52 -1.287 15.307 -2.398 1.00 0.00 C ATOM 750 CD LYS A 52 0.220 15.114 -2.440 1.00 0.00 C ATOM 751 CE LYS A 52 0.736 15.063 -3.870 1.00 0.00 C ATOM 752 NZ LYS A 52 0.624 13.697 -4.451 1.00 0.00 N ATOM 0 H LYS A 52 -3.245 11.872 -2.408 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.305 14.334 -0.974 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.404 13.173 -2.341 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.162 13.896 -3.745 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.580 16.053 -3.136 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.578 15.694 -1.421 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.707 15.929 -1.905 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.484 14.191 -1.924 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.174 15.766 -4.484 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.778 15.383 -3.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.468 13.768 -5.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.502 13.170 -4.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.176 13.198 -4.013 1.00 0.00 H new ATOM 766 N GLU A 53 -5.014 15.714 -2.090 1.00 0.00 N ATOM 767 CA GLU A 53 -6.016 16.565 -2.721 1.00 0.00 C ATOM 768 C GLU A 53 -5.457 17.223 -3.979 1.00 0.00 C ATOM 769 O GLU A 53 -6.167 17.397 -4.970 1.00 0.00 O ATOM 770 CB GLU A 53 -6.496 17.637 -1.741 1.00 0.00 C ATOM 771 CG GLU A 53 -5.384 18.538 -1.231 1.00 0.00 C ATOM 772 CD GLU A 53 -4.664 17.955 -0.031 1.00 0.00 C ATOM 773 OE1 GLU A 53 -5.260 17.932 1.066 1.00 0.00 O ATOM 774 OE2 GLU A 53 -3.504 17.520 -0.190 1.00 0.00 O ATOM 0 H GLU A 53 -4.823 15.940 -1.114 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.861 15.938 -3.005 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.254 18.250 -2.229 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.977 17.152 -0.892 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.665 18.711 -2.032 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.802 19.508 -0.963 1.00 0.00 H new ATOM 781 N THR A 54 -4.180 17.589 -3.931 1.00 0.00 N ATOM 782 CA THR A 54 -3.525 18.229 -5.065 1.00 0.00 C ATOM 783 C THR A 54 -2.277 17.462 -5.484 1.00 0.00 C ATOM 784 O THR A 54 -1.166 17.989 -5.433 1.00 0.00 O ATOM 785 CB THR A 54 -3.135 19.684 -4.740 1.00 0.00 C ATOM 786 OG1 THR A 54 -2.330 20.222 -5.794 1.00 0.00 O ATOM 787 CG2 THR A 54 -2.374 19.759 -3.424 1.00 0.00 C ATOM 0 H THR A 54 -3.579 17.453 -3.118 1.00 0.00 H new ATOM 0 HA THR A 54 -4.242 18.227 -5.886 1.00 0.00 H new ATOM 0 HB THR A 54 -4.049 20.270 -4.647 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.503 19.702 -5.873 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.109 20.796 -3.215 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.001 19.375 -2.619 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.466 19.160 -3.494 1.00 0.00 H new ATOM 795 N GLY A 55 -2.467 16.214 -5.900 1.00 0.00 N ATOM 796 CA GLY A 55 -1.346 15.394 -6.324 1.00 0.00 C ATOM 797 C GLY A 55 -1.608 14.689 -7.639 1.00 0.00 C ATOM 798 O GLY A 55 -2.427 15.140 -8.442 1.00 0.00 O ATOM 0 H GLY A 55 -3.377 15.756 -5.951 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.459 16.020 -6.421 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.131 14.653 -5.555 1.00 0.00 H new ATOM 802 N LEU A 56 -0.911 13.580 -7.863 1.00 0.00 N ATOM 803 CA LEU A 56 -1.071 12.811 -9.093 1.00 0.00 C ATOM 804 C LEU A 56 -2.187 11.781 -8.949 1.00 0.00 C ATOM 805 O LEU A 56 -3.148 11.781 -9.717 1.00 0.00 O ATOM 806 CB LEU A 56 0.241 12.113 -9.455 1.00 0.00 C ATOM 807 CG LEU A 56 1.521 12.892 -9.154 1.00 0.00 C ATOM 808 CD1 LEU A 56 2.718 11.955 -9.108 1.00 0.00 C ATOM 809 CD2 LEU A 56 1.736 13.985 -10.191 1.00 0.00 C ATOM 0 H LEU A 56 -0.230 13.193 -7.209 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.340 13.501 -9.893 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.283 11.164 -8.921 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.223 11.880 -10.520 1.00 0.00 H new ATOM 0 HG LEU A 56 1.416 13.362 -8.176 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.620 12.528 -8.893 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.566 11.209 -8.328 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.826 11.456 -10.071 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.652 14.530 -9.961 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.819 13.536 -11.181 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.891 14.673 -10.175 1.00 0.00 H new ATOM 821 N ALA A 57 -2.052 10.904 -7.959 1.00 0.00 N ATOM 822 CA ALA A 57 -3.050 9.871 -7.712 1.00 0.00 C ATOM 823 C ALA A 57 -4.458 10.395 -7.970 1.00 0.00 C ATOM 824 O ALA A 57 -5.102 10.016 -8.948 1.00 0.00 O ATOM 825 CB ALA A 57 -2.931 9.353 -6.286 1.00 0.00 C ATOM 0 H ALA A 57 -1.261 10.889 -7.315 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.864 9.049 -8.403 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.682 8.582 -6.115 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.937 8.932 -6.134 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.088 10.174 -5.586 1.00 0.00 H new ATOM 831 N SER A 58 -4.931 11.269 -7.087 1.00 0.00 N ATOM 832 CA SER A 58 -6.265 11.842 -7.218 1.00 0.00 C ATOM 833 C SER A 58 -6.569 12.186 -8.673 1.00 0.00 C ATOM 834 O SER A 58 -7.558 11.721 -9.240 1.00 0.00 O ATOM 835 CB SER A 58 -6.393 13.095 -6.349 1.00 0.00 C ATOM 836 OG SER A 58 -7.752 13.391 -6.078 1.00 0.00 O ATOM 0 H SER A 58 -4.410 11.596 -6.273 1.00 0.00 H new ATOM 0 HA SER A 58 -6.987 11.098 -6.880 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.856 12.948 -5.412 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.927 13.941 -6.854 1.00 0.00 H new ATOM 0 HG SER A 58 -7.807 14.195 -5.520 1.00 0.00 H new ATOM 842 N LYS A 59 -5.710 13.004 -9.272 1.00 0.00 N ATOM 843 CA LYS A 59 -5.883 13.412 -10.662 1.00 0.00 C ATOM 844 C LYS A 59 -6.162 12.205 -11.552 1.00 0.00 C ATOM 845 O LYS A 59 -7.201 12.130 -12.208 1.00 0.00 O ATOM 846 CB LYS A 59 -4.637 14.148 -11.158 1.00 0.00 C ATOM 847 CG LYS A 59 -4.557 15.592 -10.692 1.00 0.00 C ATOM 848 CD LYS A 59 -3.246 16.239 -11.103 1.00 0.00 C ATOM 849 CE LYS A 59 -3.296 16.736 -12.539 1.00 0.00 C ATOM 850 NZ LYS A 59 -4.067 18.004 -12.660 1.00 0.00 N ATOM 0 H LYS A 59 -4.887 13.398 -8.817 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.739 14.085 -10.713 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.750 13.615 -10.816 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.622 14.125 -12.248 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.390 16.157 -11.111 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.659 15.631 -9.607 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.025 17.072 -10.436 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.434 15.520 -10.994 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.281 16.892 -12.905 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.750 15.973 -13.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.965 18.382 -13.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.072 17.819 -12.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.703 18.698 -11.976 1.00 0.00 H new ATOM 864 N LYS A 60 -5.227 11.260 -11.568 1.00 0.00 N ATOM 865 CA LYS A 60 -5.372 10.054 -12.375 1.00 0.00 C ATOM 866 C LYS A 60 -6.775 9.470 -12.234 1.00 0.00 C ATOM 867 O LYS A 60 -7.502 9.333 -13.217 1.00 0.00 O ATOM 868 CB LYS A 60 -4.331 9.011 -11.963 1.00 0.00 C ATOM 869 CG LYS A 60 -2.899 9.447 -12.223 1.00 0.00 C ATOM 870 CD LYS A 60 -2.493 9.196 -13.666 1.00 0.00 C ATOM 871 CE LYS A 60 -0.981 9.213 -13.830 1.00 0.00 C ATOM 872 NZ LYS A 60 -0.467 10.587 -14.091 1.00 0.00 N ATOM 0 H LYS A 60 -4.361 11.306 -11.031 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.213 10.325 -13.419 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.448 8.792 -10.902 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.524 8.084 -12.503 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.793 10.507 -11.993 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.227 8.908 -11.556 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.885 8.233 -13.993 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.938 9.956 -14.308 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.513 8.815 -12.929 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.697 8.557 -14.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.567 10.556 -14.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.894 10.957 -14.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.715 11.208 -13.294 1.00 0.00 H new ATOM 886 N GLY A 61 -7.148 9.129 -11.005 1.00 0.00 N ATOM 887 CA GLY A 61 -8.463 8.566 -10.758 1.00 0.00 C ATOM 888 C GLY A 61 -8.611 8.038 -9.345 1.00 0.00 C ATOM 889 O GLY A 61 -9.724 7.936 -8.826 1.00 0.00 O ATOM 0 H GLY A 61 -6.563 9.232 -10.176 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.221 9.328 -10.939 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.648 7.758 -11.466 1.00 0.00 H new ATOM 893 N LEU A 62 -7.489 7.700 -8.720 1.00 0.00 N ATOM 894 CA LEU A 62 -7.499 7.178 -7.358 1.00 0.00 C ATOM 895 C LEU A 62 -8.372 8.039 -6.451 1.00 0.00 C ATOM 896 O LEU A 62 -8.685 9.185 -6.777 1.00 0.00 O ATOM 897 CB LEU A 62 -6.074 7.116 -6.804 1.00 0.00 C ATOM 898 CG LEU A 62 -5.291 5.839 -7.109 1.00 0.00 C ATOM 899 CD1 LEU A 62 -3.796 6.119 -7.119 1.00 0.00 C ATOM 900 CD2 LEU A 62 -5.625 4.754 -6.096 1.00 0.00 C ATOM 0 H LEU A 62 -6.560 7.778 -9.135 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.916 6.171 -7.384 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.515 7.964 -7.199 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.120 7.240 -5.722 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.580 5.486 -8.099 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.255 5.198 -7.338 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.570 6.863 -7.883 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.490 6.497 -6.143 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.059 3.852 -6.329 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.364 5.098 -5.095 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.692 4.533 -6.138 1.00 0.00 H new ATOM 912 N LYS A 63 -8.761 7.482 -5.310 1.00 0.00 N ATOM 913 CA LYS A 63 -9.595 8.198 -4.352 1.00 0.00 C ATOM 914 C LYS A 63 -9.702 7.429 -3.040 1.00 0.00 C ATOM 915 O LYS A 63 -9.653 6.199 -3.025 1.00 0.00 O ATOM 916 CB LYS A 63 -10.992 8.430 -4.935 1.00 0.00 C ATOM 917 CG LYS A 63 -11.767 9.534 -4.236 1.00 0.00 C ATOM 918 CD LYS A 63 -11.419 10.902 -4.798 1.00 0.00 C ATOM 919 CE LYS A 63 -10.211 11.502 -4.097 1.00 0.00 C ATOM 920 NZ LYS A 63 -10.217 12.990 -4.158 1.00 0.00 N ATOM 0 H LYS A 63 -8.512 6.535 -5.025 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.127 9.161 -4.150 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.899 8.677 -5.993 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.561 7.502 -4.873 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.837 9.355 -4.347 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.550 9.512 -3.168 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.216 10.817 -5.866 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.274 11.570 -4.688 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.199 11.181 -3.055 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.299 11.123 -4.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.436 13.316 -4.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.121 13.318 -4.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.097 13.377 -3.200 1.00 0.00 H new ATOM 934 N ALA A 64 -9.849 8.161 -1.940 1.00 0.00 N ATOM 935 CA ALA A 64 -9.966 7.546 -0.624 1.00 0.00 C ATOM 936 C ALA A 64 -11.075 6.500 -0.603 1.00 0.00 C ATOM 937 O ALA A 64 -12.256 6.832 -0.689 1.00 0.00 O ATOM 938 CB ALA A 64 -10.221 8.610 0.434 1.00 0.00 C ATOM 0 H ALA A 64 -9.890 9.180 -1.935 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.025 7.044 -0.400 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.306 8.137 1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.393 9.319 0.444 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.147 9.137 0.204 1.00 0.00 H new ATOM 944 N GLY A 65 -10.686 5.233 -0.489 1.00 0.00 N ATOM 945 CA GLY A 65 -11.659 4.158 -0.460 1.00 0.00 C ATOM 946 C GLY A 65 -11.466 3.170 -1.593 1.00 0.00 C ATOM 947 O GLY A 65 -11.946 2.038 -1.527 1.00 0.00 O ATOM 0 H GLY A 65 -9.714 4.933 -0.416 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.587 3.633 0.492 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.663 4.579 -0.516 1.00 0.00 H new ATOM 951 N ASP A 66 -10.762 3.598 -2.635 1.00 0.00 N ATOM 952 CA ASP A 66 -10.507 2.743 -3.788 1.00 0.00 C ATOM 953 C ASP A 66 -9.950 1.392 -3.351 1.00 0.00 C ATOM 954 O ASP A 66 -9.133 1.315 -2.434 1.00 0.00 O ATOM 955 CB ASP A 66 -9.531 3.424 -4.749 1.00 0.00 C ATOM 956 CG ASP A 66 -10.237 4.288 -5.776 1.00 0.00 C ATOM 957 OD1 ASP A 66 -10.961 5.221 -5.369 1.00 0.00 O ATOM 958 OD2 ASP A 66 -10.065 4.032 -6.985 1.00 0.00 O ATOM 0 H ASP A 66 -10.358 4.532 -2.705 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.454 2.576 -4.301 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.834 4.038 -4.179 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.941 2.664 -5.262 1.00 0.00 H new ATOM 963 N GLU A 67 -10.399 0.330 -4.012 1.00 0.00 N ATOM 964 CA GLU A 67 -9.946 -1.018 -3.689 1.00 0.00 C ATOM 965 C GLU A 67 -8.843 -1.465 -4.644 1.00 0.00 C ATOM 966 O GLU A 67 -9.070 -1.614 -5.845 1.00 0.00 O ATOM 967 CB GLU A 67 -11.117 -2.001 -3.749 1.00 0.00 C ATOM 968 CG GLU A 67 -10.694 -3.458 -3.658 1.00 0.00 C ATOM 969 CD GLU A 67 -10.397 -3.892 -2.236 1.00 0.00 C ATOM 970 OE1 GLU A 67 -9.578 -3.223 -1.571 1.00 0.00 O ATOM 971 OE2 GLU A 67 -10.983 -4.900 -1.788 1.00 0.00 O ATOM 0 H GLU A 67 -11.076 0.377 -4.774 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.543 -1.005 -2.676 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.808 -1.780 -2.935 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.662 -1.847 -4.680 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.483 -4.088 -4.069 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.808 -3.614 -4.274 1.00 0.00 H new ATOM 978 N ILE A 68 -7.649 -1.676 -4.101 1.00 0.00 N ATOM 979 CA ILE A 68 -6.511 -2.106 -4.904 1.00 0.00 C ATOM 980 C ILE A 68 -6.572 -3.603 -5.187 1.00 0.00 C ATOM 981 O ILE A 68 -6.859 -4.404 -4.296 1.00 0.00 O ATOM 982 CB ILE A 68 -5.176 -1.781 -4.208 1.00 0.00 C ATOM 983 CG1 ILE A 68 -5.209 -0.365 -3.630 1.00 0.00 C ATOM 984 CG2 ILE A 68 -4.019 -1.934 -5.184 1.00 0.00 C ATOM 985 CD1 ILE A 68 -5.042 0.718 -4.673 1.00 0.00 C ATOM 0 H ILE A 68 -7.445 -1.556 -3.109 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.564 -1.558 -5.845 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.030 -2.484 -3.388 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.156 -0.215 -3.111 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.418 -0.267 -2.886 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.082 -1.701 -4.677 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.987 -2.959 -5.552 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.158 -1.251 -6.022 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.076 1.695 -4.191 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.083 0.594 -5.176 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.847 0.646 -5.404 1.00 0.00 H new ATOM 997 N LEU A 69 -6.299 -3.976 -6.432 1.00 0.00 N ATOM 998 CA LEU A 69 -6.321 -5.378 -6.834 1.00 0.00 C ATOM 999 C LEU A 69 -4.905 -5.910 -7.032 1.00 0.00 C ATOM 1000 O LEU A 69 -4.571 -7.000 -6.569 1.00 0.00 O ATOM 1001 CB LEU A 69 -7.126 -5.548 -8.123 1.00 0.00 C ATOM 1002 CG LEU A 69 -8.600 -5.146 -8.052 1.00 0.00 C ATOM 1003 CD1 LEU A 69 -9.138 -4.842 -9.441 1.00 0.00 C ATOM 1004 CD2 LEU A 69 -9.420 -6.243 -7.388 1.00 0.00 C ATOM 0 H LEU A 69 -6.060 -3.327 -7.181 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.797 -5.950 -6.038 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.647 -4.961 -8.907 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.069 -6.593 -8.428 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.682 -4.242 -7.448 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.188 -4.558 -9.370 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.569 -4.023 -9.880 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.043 -5.727 -10.070 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.466 -5.940 -7.346 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.332 -7.163 -7.965 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.050 -6.412 -6.377 1.00 0.00 H new ATOM 1016 N GLU A 70 -4.076 -5.132 -7.721 1.00 0.00 N ATOM 1017 CA GLU A 70 -2.696 -5.525 -7.978 1.00 0.00 C ATOM 1018 C GLU A 70 -1.770 -4.312 -7.946 1.00 0.00 C ATOM 1019 O GLU A 70 -2.213 -3.175 -8.109 1.00 0.00 O ATOM 1020 CB GLU A 70 -2.587 -6.228 -9.332 1.00 0.00 C ATOM 1021 CG GLU A 70 -3.106 -7.656 -9.320 1.00 0.00 C ATOM 1022 CD GLU A 70 -4.612 -7.728 -9.151 1.00 0.00 C ATOM 1023 OE1 GLU A 70 -5.318 -6.918 -9.788 1.00 0.00 O ATOM 1024 OE2 GLU A 70 -5.083 -8.592 -8.384 1.00 0.00 O ATOM 0 H GLU A 70 -4.336 -4.226 -8.111 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.389 -6.215 -7.192 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.142 -5.655 -10.075 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.543 -6.232 -9.647 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.825 -8.149 -10.251 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.627 -8.206 -8.510 1.00 0.00 H new ATOM 1031 N ILE A 71 -0.483 -4.564 -7.734 1.00 0.00 N ATOM 1032 CA ILE A 71 0.506 -3.494 -7.681 1.00 0.00 C ATOM 1033 C ILE A 71 1.787 -3.892 -8.406 1.00 0.00 C ATOM 1034 O ILE A 71 2.571 -4.696 -7.904 1.00 0.00 O ATOM 1035 CB ILE A 71 0.848 -3.115 -6.228 1.00 0.00 C ATOM 1036 CG1 ILE A 71 -0.432 -2.854 -5.431 1.00 0.00 C ATOM 1037 CG2 ILE A 71 1.755 -1.893 -6.199 1.00 0.00 C ATOM 1038 CD1 ILE A 71 -0.228 -2.889 -3.933 1.00 0.00 C ATOM 0 H ILE A 71 -0.100 -5.499 -7.596 1.00 0.00 H new ATOM 0 HA ILE A 71 0.064 -2.631 -8.178 1.00 0.00 H new ATOM 0 HB ILE A 71 1.378 -3.948 -5.766 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.833 -1.880 -5.712 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.179 -3.598 -5.705 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.988 -1.637 -5.165 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.678 -2.112 -6.735 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.249 -1.053 -6.675 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.177 -2.696 -3.432 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.144 -3.870 -3.639 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.496 -2.126 -3.646 1.00 0.00 H new ATOM 1050 N ASN A 72 1.993 -3.323 -9.589 1.00 0.00 N ATOM 1051 CA ASN A 72 3.180 -3.618 -10.383 1.00 0.00 C ATOM 1052 C ASN A 72 3.270 -5.108 -10.695 1.00 0.00 C ATOM 1053 O ASN A 72 4.349 -5.697 -10.657 1.00 0.00 O ATOM 1054 CB ASN A 72 4.440 -3.163 -9.643 1.00 0.00 C ATOM 1055 CG ASN A 72 4.600 -1.655 -9.647 1.00 0.00 C ATOM 1056 OD1 ASN A 72 3.758 -0.931 -10.179 1.00 0.00 O ATOM 1057 ND2 ASN A 72 5.684 -1.174 -9.050 1.00 0.00 N ATOM 0 H ASN A 72 1.353 -2.655 -10.019 1.00 0.00 H new ATOM 0 HA ASN A 72 3.102 -3.073 -11.324 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.402 -3.519 -8.613 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.315 -3.620 -10.106 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.845 -0.167 -9.019 1.00 0.00 H new ATOM 0 HD22 ASN A 72 6.356 -1.811 -8.622 1.00 0.00 H new ATOM 1064 N ASN A 73 2.127 -5.713 -11.003 1.00 0.00 N ATOM 1065 CA ASN A 73 2.076 -7.135 -11.321 1.00 0.00 C ATOM 1066 C ASN A 73 2.285 -7.981 -10.068 1.00 0.00 C ATOM 1067 O ASN A 73 2.939 -9.023 -10.113 1.00 0.00 O ATOM 1068 CB ASN A 73 3.136 -7.483 -12.368 1.00 0.00 C ATOM 1069 CG ASN A 73 2.887 -8.831 -13.017 1.00 0.00 C ATOM 1070 OD1 ASN A 73 3.789 -9.664 -13.108 1.00 0.00 O ATOM 1071 ND2 ASN A 73 1.659 -9.051 -13.471 1.00 0.00 N ATOM 0 H ASN A 73 1.224 -5.240 -11.039 1.00 0.00 H new ATOM 0 HA ASN A 73 1.089 -7.356 -11.726 1.00 0.00 H new ATOM 0 HB2 ASN A 73 3.151 -6.710 -13.136 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.120 -7.485 -11.898 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.432 -9.940 -13.917 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.943 -8.331 -13.374 1.00 0.00 H new ATOM 1078 N ARG A 74 1.725 -7.524 -8.953 1.00 0.00 N ATOM 1079 CA ARG A 74 1.851 -8.238 -7.688 1.00 0.00 C ATOM 1080 C ARG A 74 0.516 -8.276 -6.950 1.00 0.00 C ATOM 1081 O ARG A 74 -0.209 -7.283 -6.907 1.00 0.00 O ATOM 1082 CB ARG A 74 2.913 -7.576 -6.807 1.00 0.00 C ATOM 1083 CG ARG A 74 4.317 -7.652 -7.385 1.00 0.00 C ATOM 1084 CD ARG A 74 4.887 -9.058 -7.279 1.00 0.00 C ATOM 1085 NE ARG A 74 6.130 -9.203 -8.031 1.00 0.00 N ATOM 1086 CZ ARG A 74 7.292 -8.695 -7.635 1.00 0.00 C ATOM 1087 NH1 ARG A 74 7.369 -8.013 -6.501 1.00 0.00 N ATOM 1088 NH2 ARG A 74 8.380 -8.869 -8.374 1.00 0.00 N ATOM 0 H ARG A 74 1.180 -6.663 -8.900 1.00 0.00 H new ATOM 0 HA ARG A 74 2.156 -9.261 -7.907 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.647 -6.530 -6.656 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.907 -8.051 -5.826 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.299 -7.343 -8.430 1.00 0.00 H new ATOM 0 HG3 ARG A 74 4.967 -6.954 -6.858 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.067 -9.298 -6.231 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.154 -9.775 -7.649 1.00 0.00 H new ATOM 0 HE ARG A 74 6.105 -9.723 -8.908 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.535 -7.877 -5.930 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.262 -7.624 -6.199 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.325 -9.393 -9.247 1.00 0.00 H new ATOM 0 HH22 ARG A 74 9.272 -8.478 -8.069 1.00 0.00 H new ATOM 1102 N ALA A 75 0.198 -9.430 -6.372 1.00 0.00 N ATOM 1103 CA ALA A 75 -1.049 -9.598 -5.636 1.00 0.00 C ATOM 1104 C ALA A 75 -1.009 -8.845 -4.311 1.00 0.00 C ATOM 1105 O ALA A 75 -0.109 -9.049 -3.497 1.00 0.00 O ATOM 1106 CB ALA A 75 -1.327 -11.075 -5.398 1.00 0.00 C ATOM 0 H ALA A 75 0.787 -10.262 -6.399 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.856 -9.180 -6.237 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -2.261 -11.185 -4.847 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.407 -11.589 -6.356 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.512 -11.510 -4.820 1.00 0.00 H new ATOM 1112 N ALA A 76 -1.990 -7.973 -4.101 1.00 0.00 N ATOM 1113 CA ALA A 76 -2.068 -7.191 -2.874 1.00 0.00 C ATOM 1114 C ALA A 76 -1.999 -8.090 -1.644 1.00 0.00 C ATOM 1115 O ALA A 76 -1.529 -7.674 -0.585 1.00 0.00 O ATOM 1116 CB ALA A 76 -3.345 -6.364 -2.855 1.00 0.00 C ATOM 0 H ALA A 76 -2.742 -7.791 -4.766 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.212 -6.517 -2.847 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.390 -5.785 -1.933 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.353 -5.687 -3.709 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.209 -7.027 -2.910 1.00 0.00 H new ATOM 1122 N ASP A 77 -2.472 -9.323 -1.791 1.00 0.00 N ATOM 1123 CA ASP A 77 -2.464 -10.281 -0.692 1.00 0.00 C ATOM 1124 C ASP A 77 -1.050 -10.784 -0.420 1.00 0.00 C ATOM 1125 O ASP A 77 -0.693 -11.076 0.721 1.00 0.00 O ATOM 1126 CB ASP A 77 -3.386 -11.460 -1.008 1.00 0.00 C ATOM 1127 CG ASP A 77 -4.540 -11.067 -1.909 1.00 0.00 C ATOM 1128 OD1 ASP A 77 -4.378 -11.137 -3.145 1.00 0.00 O ATOM 1129 OD2 ASP A 77 -5.605 -10.688 -1.379 1.00 0.00 O ATOM 0 H ASP A 77 -2.866 -9.682 -2.661 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.828 -9.774 0.202 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.808 -12.251 -1.486 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.779 -11.870 -0.078 1.00 0.00 H new ATOM 1134 N ALA A 78 -0.249 -10.884 -1.476 1.00 0.00 N ATOM 1135 CA ALA A 78 1.126 -11.351 -1.351 1.00 0.00 C ATOM 1136 C ALA A 78 2.041 -10.236 -0.856 1.00 0.00 C ATOM 1137 O ALA A 78 3.118 -10.496 -0.317 1.00 0.00 O ATOM 1138 CB ALA A 78 1.623 -11.891 -2.684 1.00 0.00 C ATOM 0 H ALA A 78 -0.529 -10.648 -2.428 1.00 0.00 H new ATOM 0 HA ALA A 78 1.145 -12.155 -0.616 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.651 -12.236 -2.576 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.992 -12.723 -2.998 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.582 -11.101 -3.434 1.00 0.00 H new ATOM 1144 N LEU A 79 1.607 -8.994 -1.042 1.00 0.00 N ATOM 1145 CA LEU A 79 2.389 -7.839 -0.614 1.00 0.00 C ATOM 1146 C LEU A 79 2.135 -7.524 0.856 1.00 0.00 C ATOM 1147 O LEU A 79 0.989 -7.426 1.292 1.00 0.00 O ATOM 1148 CB LEU A 79 2.047 -6.621 -1.474 1.00 0.00 C ATOM 1149 CG LEU A 79 2.248 -6.785 -2.981 1.00 0.00 C ATOM 1150 CD1 LEU A 79 1.449 -5.740 -3.744 1.00 0.00 C ATOM 1151 CD2 LEU A 79 3.725 -6.692 -3.335 1.00 0.00 C ATOM 0 H LEU A 79 0.719 -8.761 -1.486 1.00 0.00 H new ATOM 0 HA LEU A 79 3.445 -8.080 -0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.005 -6.355 -1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.654 -5.781 -1.136 1.00 0.00 H new ATOM 0 HG LEU A 79 1.886 -7.772 -3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.605 -5.873 -4.815 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.389 -5.853 -3.515 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.779 -4.744 -3.450 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.849 -6.811 -4.411 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.112 -5.720 -3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.273 -7.479 -2.817 1.00 0.00 H new ATOM 1163 N ASN A 80 3.214 -7.365 1.617 1.00 0.00 N ATOM 1164 CA ASN A 80 3.108 -7.060 3.039 1.00 0.00 C ATOM 1165 C ASN A 80 3.627 -5.656 3.334 1.00 0.00 C ATOM 1166 O ASN A 80 4.212 -5.004 2.468 1.00 0.00 O ATOM 1167 CB ASN A 80 3.888 -8.087 3.862 1.00 0.00 C ATOM 1168 CG ASN A 80 5.389 -7.895 3.754 1.00 0.00 C ATOM 1169 OD1 ASN A 80 5.860 -6.882 3.237 1.00 0.00 O ATOM 1170 ND2 ASN A 80 6.146 -8.869 4.243 1.00 0.00 N ATOM 0 H ASN A 80 4.171 -7.442 1.272 1.00 0.00 H new ATOM 0 HA ASN A 80 2.055 -7.105 3.317 1.00 0.00 H new ATOM 0 HB2 ASN A 80 3.589 -8.013 4.908 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.628 -9.091 3.526 1.00 0.00 H new ATOM 0 HD21 ASN A 80 7.162 -8.796 4.199 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.711 -9.691 4.663 1.00 0.00 H new ATOM 1177 N SER A 81 3.409 -5.196 4.562 1.00 0.00 N ATOM 1178 CA SER A 81 3.852 -3.868 4.970 1.00 0.00 C ATOM 1179 C SER A 81 5.225 -3.550 4.388 1.00 0.00 C ATOM 1180 O SER A 81 5.410 -2.528 3.727 1.00 0.00 O ATOM 1181 CB SER A 81 3.897 -3.770 6.497 1.00 0.00 C ATOM 1182 OG SER A 81 4.647 -4.835 7.054 1.00 0.00 O ATOM 0 H SER A 81 2.929 -5.723 5.291 1.00 0.00 H new ATOM 0 HA SER A 81 3.137 -3.140 4.586 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.338 -2.818 6.791 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.883 -3.788 6.896 1.00 0.00 H new ATOM 0 HG SER A 81 4.662 -4.749 8.030 1.00 0.00 H new ATOM 1188 N SER A 82 6.186 -4.433 4.639 1.00 0.00 N ATOM 1189 CA SER A 82 7.545 -4.246 4.144 1.00 0.00 C ATOM 1190 C SER A 82 7.537 -3.874 2.664 1.00 0.00 C ATOM 1191 O SER A 82 7.853 -2.743 2.296 1.00 0.00 O ATOM 1192 CB SER A 82 8.368 -5.518 4.358 1.00 0.00 C ATOM 1193 OG SER A 82 8.228 -5.999 5.683 1.00 0.00 O ATOM 0 H SER A 82 6.049 -5.285 5.182 1.00 0.00 H new ATOM 0 HA SER A 82 8.001 -3.429 4.704 1.00 0.00 H new ATOM 0 HB2 SER A 82 8.047 -6.285 3.653 1.00 0.00 H new ATOM 0 HB3 SER A 82 9.419 -5.314 4.151 1.00 0.00 H new ATOM 0 HG SER A 82 8.762 -6.813 5.794 1.00 0.00 H new ATOM 1199 N MET A 83 7.174 -4.835 1.821 1.00 0.00 N ATOM 1200 CA MET A 83 7.124 -4.609 0.381 1.00 0.00 C ATOM 1201 C MET A 83 6.381 -3.316 0.059 1.00 0.00 C ATOM 1202 O MET A 83 6.912 -2.435 -0.618 1.00 0.00 O ATOM 1203 CB MET A 83 6.446 -5.789 -0.318 1.00 0.00 C ATOM 1204 CG MET A 83 7.345 -7.004 -0.470 1.00 0.00 C ATOM 1205 SD MET A 83 7.441 -7.991 1.036 1.00 0.00 S ATOM 1206 CE MET A 83 6.082 -9.130 0.782 1.00 0.00 C ATOM 0 H MET A 83 6.910 -5.777 2.110 1.00 0.00 H new ATOM 0 HA MET A 83 8.147 -4.519 0.016 1.00 0.00 H new ATOM 0 HB2 MET A 83 5.558 -6.073 0.246 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.109 -5.471 -1.305 1.00 0.00 H new ATOM 0 HG2 MET A 83 6.974 -7.626 -1.284 1.00 0.00 H new ATOM 0 HG3 MET A 83 8.346 -6.677 -0.750 1.00 0.00 H new ATOM 0 HE1 MET A 83 5.898 -9.688 1.700 1.00 0.00 H new ATOM 0 HE2 MET A 83 5.186 -8.572 0.510 1.00 0.00 H new ATOM 0 HE3 MET A 83 6.334 -9.824 -0.020 1.00 0.00 H new ATOM 1216 N LEU A 84 5.151 -3.209 0.548 1.00 0.00 N ATOM 1217 CA LEU A 84 4.334 -2.023 0.312 1.00 0.00 C ATOM 1218 C LEU A 84 5.137 -0.751 0.564 1.00 0.00 C ATOM 1219 O LEU A 84 5.141 0.166 -0.257 1.00 0.00 O ATOM 1220 CB LEU A 84 3.096 -2.045 1.211 1.00 0.00 C ATOM 1221 CG LEU A 84 1.989 -3.018 0.804 1.00 0.00 C ATOM 1222 CD1 LEU A 84 1.057 -3.285 1.975 1.00 0.00 C ATOM 1223 CD2 LEU A 84 1.212 -2.474 -0.386 1.00 0.00 C ATOM 0 H LEU A 84 4.697 -3.929 1.110 1.00 0.00 H new ATOM 0 HA LEU A 84 4.018 -2.031 -0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.412 -2.289 2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.676 -1.040 1.242 1.00 0.00 H new ATOM 0 HG LEU A 84 2.450 -3.961 0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.275 -3.979 1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.623 -3.718 2.799 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.603 -2.349 2.300 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.428 -3.179 -0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.762 -1.517 -0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.888 -2.335 -1.229 1.00 0.00 H new ATOM 1235 N LYS A 85 5.817 -0.702 1.704 1.00 0.00 N ATOM 1236 CA LYS A 85 6.627 0.455 2.064 1.00 0.00 C ATOM 1237 C LYS A 85 7.662 0.753 0.983 1.00 0.00 C ATOM 1238 O LYS A 85 7.808 1.895 0.548 1.00 0.00 O ATOM 1239 CB LYS A 85 7.328 0.217 3.404 1.00 0.00 C ATOM 1240 CG LYS A 85 6.394 0.290 4.600 1.00 0.00 C ATOM 1241 CD LYS A 85 7.044 -0.278 5.850 1.00 0.00 C ATOM 1242 CE LYS A 85 7.933 0.751 6.532 1.00 0.00 C ATOM 1243 NZ LYS A 85 7.136 1.799 7.228 1.00 0.00 N ATOM 0 H LYS A 85 5.823 -1.452 2.396 1.00 0.00 H new ATOM 0 HA LYS A 85 5.964 1.316 2.155 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.806 -0.763 3.386 1.00 0.00 H new ATOM 0 HB3 LYS A 85 8.120 0.956 3.526 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.108 1.327 4.777 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.479 -0.261 4.382 1.00 0.00 H new ATOM 0 HD2 LYS A 85 6.272 -0.611 6.544 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.636 -1.155 5.587 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.582 0.251 7.251 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.580 1.220 5.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 7.757 2.348 7.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.707 2.434 6.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.386 1.349 7.790 1.00 0.00 H new ATOM 1257 N ASP A 86 8.376 -0.282 0.554 1.00 0.00 N ATOM 1258 CA ASP A 86 9.395 -0.132 -0.478 1.00 0.00 C ATOM 1259 C ASP A 86 8.767 0.275 -1.807 1.00 0.00 C ATOM 1260 O ASP A 86 9.389 0.965 -2.615 1.00 0.00 O ATOM 1261 CB ASP A 86 10.176 -1.436 -0.647 1.00 0.00 C ATOM 1262 CG ASP A 86 11.417 -1.262 -1.501 1.00 0.00 C ATOM 1263 OD1 ASP A 86 11.363 -0.478 -2.472 1.00 0.00 O ATOM 1264 OD2 ASP A 86 12.441 -1.909 -1.199 1.00 0.00 O ATOM 0 H ASP A 86 8.268 -1.234 0.905 1.00 0.00 H new ATOM 0 HA ASP A 86 10.081 0.655 -0.165 1.00 0.00 H new ATOM 0 HB2 ASP A 86 10.464 -1.813 0.334 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.529 -2.187 -1.100 1.00 0.00 H new ATOM 1269 N PHE A 87 7.530 -0.158 -2.029 1.00 0.00 N ATOM 1270 CA PHE A 87 6.818 0.159 -3.261 1.00 0.00 C ATOM 1271 C PHE A 87 6.375 1.619 -3.272 1.00 0.00 C ATOM 1272 O PHE A 87 6.311 2.253 -4.327 1.00 0.00 O ATOM 1273 CB PHE A 87 5.603 -0.756 -3.423 1.00 0.00 C ATOM 1274 CG PHE A 87 5.922 -2.065 -4.086 1.00 0.00 C ATOM 1275 CD1 PHE A 87 7.051 -2.782 -3.724 1.00 0.00 C ATOM 1276 CD2 PHE A 87 5.093 -2.578 -5.070 1.00 0.00 C ATOM 1277 CE1 PHE A 87 7.347 -3.987 -4.334 1.00 0.00 C ATOM 1278 CE2 PHE A 87 5.384 -3.783 -5.683 1.00 0.00 C ATOM 1279 CZ PHE A 87 6.513 -4.488 -5.313 1.00 0.00 C ATOM 0 H PHE A 87 7.000 -0.730 -1.371 1.00 0.00 H new ATOM 0 HA PHE A 87 7.499 -0.002 -4.097 1.00 0.00 H new ATOM 0 HB2 PHE A 87 5.172 -0.951 -2.441 1.00 0.00 H new ATOM 0 HB3 PHE A 87 4.843 -0.237 -4.008 1.00 0.00 H new ATOM 0 HD1 PHE A 87 7.707 -2.396 -2.958 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.209 -2.031 -5.362 1.00 0.00 H new ATOM 0 HE1 PHE A 87 8.231 -4.536 -4.044 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.730 -4.172 -6.449 1.00 0.00 H new ATOM 0 HZ PHE A 87 6.743 -5.430 -5.789 1.00 0.00 H new ATOM 1289 N LEU A 88 6.068 2.147 -2.092 1.00 0.00 N ATOM 1290 CA LEU A 88 5.630 3.533 -1.965 1.00 0.00 C ATOM 1291 C LEU A 88 6.824 4.481 -1.926 1.00 0.00 C ATOM 1292 O LEU A 88 6.683 5.683 -2.152 1.00 0.00 O ATOM 1293 CB LEU A 88 4.785 3.707 -0.701 1.00 0.00 C ATOM 1294 CG LEU A 88 3.428 3.004 -0.699 1.00 0.00 C ATOM 1295 CD1 LEU A 88 2.766 3.125 0.665 1.00 0.00 C ATOM 1296 CD2 LEU A 88 2.528 3.578 -1.784 1.00 0.00 C ATOM 0 H LEU A 88 6.114 1.637 -1.210 1.00 0.00 H new ATOM 0 HA LEU A 88 5.024 3.778 -2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.361 3.344 0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.620 4.773 -0.542 1.00 0.00 H new ATOM 0 HG LEU A 88 3.588 1.947 -0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.801 2.619 0.647 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.403 2.666 1.421 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.619 4.178 0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.566 3.065 -1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.375 4.642 -1.605 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.997 3.438 -2.758 1.00 0.00 H new ATOM 1308 N SER A 89 8.001 3.931 -1.641 1.00 0.00 N ATOM 1309 CA SER A 89 9.220 4.728 -1.572 1.00 0.00 C ATOM 1310 C SER A 89 9.735 5.055 -2.970 1.00 0.00 C ATOM 1311 O SER A 89 10.703 5.798 -3.128 1.00 0.00 O ATOM 1312 CB SER A 89 10.297 3.982 -0.781 1.00 0.00 C ATOM 1313 OG SER A 89 11.200 4.888 -0.171 1.00 0.00 O ATOM 0 H SER A 89 8.136 2.937 -1.454 1.00 0.00 H new ATOM 0 HA SER A 89 8.986 5.663 -1.062 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.828 3.362 -0.017 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.842 3.312 -1.446 1.00 0.00 H new ATOM 0 HG SER A 89 11.878 4.387 0.330 1.00 0.00 H new ATOM 1319 N GLN A 90 9.079 4.495 -3.982 1.00 0.00 N ATOM 1320 CA GLN A 90 9.471 4.727 -5.367 1.00 0.00 C ATOM 1321 C GLN A 90 8.645 5.850 -5.986 1.00 0.00 C ATOM 1322 O GLN A 90 7.474 6.045 -5.659 1.00 0.00 O ATOM 1323 CB GLN A 90 9.307 3.446 -6.187 1.00 0.00 C ATOM 1324 CG GLN A 90 10.022 2.245 -5.589 1.00 0.00 C ATOM 1325 CD GLN A 90 11.482 2.174 -5.994 1.00 0.00 C ATOM 1326 OE1 GLN A 90 11.904 2.822 -6.952 1.00 0.00 O ATOM 1327 NE2 GLN A 90 12.261 1.385 -5.263 1.00 0.00 N ATOM 0 H GLN A 90 8.275 3.878 -3.869 1.00 0.00 H new ATOM 0 HA GLN A 90 10.520 5.024 -5.376 1.00 0.00 H new ATOM 0 HB2 GLN A 90 8.245 3.217 -6.280 1.00 0.00 H new ATOM 0 HB3 GLN A 90 9.685 3.619 -7.195 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.952 2.289 -4.502 1.00 0.00 H new ATOM 0 HG3 GLN A 90 9.517 1.332 -5.904 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.868 0.866 -4.478 1.00 0.00 H new ATOM 0 HE22 GLN A 90 13.252 1.298 -5.487 1.00 0.00 H new ATOM 1336 N PRO A 91 9.267 6.607 -6.901 1.00 0.00 N ATOM 1337 CA PRO A 91 8.608 7.724 -7.585 1.00 0.00 C ATOM 1338 C PRO A 91 7.534 7.254 -8.561 1.00 0.00 C ATOM 1339 O PRO A 91 6.627 8.008 -8.911 1.00 0.00 O ATOM 1340 CB PRO A 91 9.753 8.405 -8.338 1.00 0.00 C ATOM 1341 CG PRO A 91 10.765 7.330 -8.541 1.00 0.00 C ATOM 1342 CD PRO A 91 10.662 6.432 -7.340 1.00 0.00 C ATOM 0 HA PRO A 91 8.090 8.380 -6.886 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.413 8.814 -9.290 1.00 0.00 H new ATOM 0 HB3 PRO A 91 10.166 9.235 -7.764 1.00 0.00 H new ATOM 0 HG2 PRO A 91 10.568 6.777 -9.460 1.00 0.00 H new ATOM 0 HG3 PRO A 91 11.767 7.749 -8.630 1.00 0.00 H new ATOM 0 HD2 PRO A 91 10.876 5.394 -7.595 1.00 0.00 H new ATOM 0 HD3 PRO A 91 11.368 6.721 -6.561 1.00 0.00 H new ATOM 1350 N SER A 92 7.644 6.003 -8.996 1.00 0.00 N ATOM 1351 CA SER A 92 6.684 5.433 -9.934 1.00 0.00 C ATOM 1352 C SER A 92 5.982 4.222 -9.326 1.00 0.00 C ATOM 1353 O SER A 92 6.574 3.473 -8.548 1.00 0.00 O ATOM 1354 CB SER A 92 7.386 5.031 -11.233 1.00 0.00 C ATOM 1355 OG SER A 92 6.740 3.924 -11.839 1.00 0.00 O ATOM 0 H SER A 92 8.388 5.365 -8.714 1.00 0.00 H new ATOM 0 HA SER A 92 5.934 6.193 -10.154 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.393 5.875 -11.923 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.426 4.780 -11.026 1.00 0.00 H new ATOM 0 HG SER A 92 7.206 3.687 -12.668 1.00 0.00 H new ATOM 1361 N LEU A 93 4.717 4.037 -9.685 1.00 0.00 N ATOM 1362 CA LEU A 93 3.933 2.918 -9.176 1.00 0.00 C ATOM 1363 C LEU A 93 2.769 2.599 -10.109 1.00 0.00 C ATOM 1364 O LEU A 93 2.267 3.474 -10.813 1.00 0.00 O ATOM 1365 CB LEU A 93 3.405 3.235 -7.775 1.00 0.00 C ATOM 1366 CG LEU A 93 4.374 2.980 -6.620 1.00 0.00 C ATOM 1367 CD1 LEU A 93 3.745 3.386 -5.296 1.00 0.00 C ATOM 1368 CD2 LEU A 93 4.793 1.518 -6.587 1.00 0.00 C ATOM 0 H LEU A 93 4.212 4.648 -10.327 1.00 0.00 H new ATOM 0 HA LEU A 93 4.584 2.045 -9.124 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.108 4.283 -7.749 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.505 2.644 -7.605 1.00 0.00 H new ATOM 0 HG LEU A 93 5.264 3.588 -6.778 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.449 3.197 -4.486 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.497 4.447 -5.321 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.838 2.805 -5.131 1.00 0.00 H new ATOM 0 HD21 LEU A 93 5.483 1.356 -5.759 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.912 0.890 -6.454 1.00 0.00 H new ATOM 0 HD23 LEU A 93 5.285 1.259 -7.525 1.00 0.00 H new ATOM 1380 N GLY A 94 2.345 1.339 -10.108 1.00 0.00 N ATOM 1381 CA GLY A 94 1.242 0.927 -10.957 1.00 0.00 C ATOM 1382 C GLY A 94 0.171 0.176 -10.192 1.00 0.00 C ATOM 1383 O GLY A 94 0.347 -0.994 -9.848 1.00 0.00 O ATOM 0 H GLY A 94 2.745 0.596 -9.535 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.800 1.806 -11.426 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.622 0.295 -11.760 1.00 0.00 H new ATOM 1387 N LEU A 95 -0.943 0.848 -9.923 1.00 0.00 N ATOM 1388 CA LEU A 95 -2.048 0.237 -9.192 1.00 0.00 C ATOM 1389 C LEU A 95 -3.131 -0.250 -10.149 1.00 0.00 C ATOM 1390 O LEU A 95 -3.183 0.164 -11.308 1.00 0.00 O ATOM 1391 CB LEU A 95 -2.642 1.237 -8.198 1.00 0.00 C ATOM 1392 CG LEU A 95 -1.638 2.009 -7.341 1.00 0.00 C ATOM 1393 CD1 LEU A 95 -2.354 3.027 -6.468 1.00 0.00 C ATOM 1394 CD2 LEU A 95 -0.820 1.051 -6.486 1.00 0.00 C ATOM 0 H LEU A 95 -1.105 1.816 -10.200 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.659 -0.622 -8.646 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.244 1.956 -8.753 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.319 0.700 -7.534 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.958 2.544 -8.004 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.624 3.567 -5.865 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.895 3.732 -7.100 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.057 2.513 -5.812 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.111 1.617 -5.882 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.486 0.489 -5.831 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.277 0.360 -7.131 1.00 0.00 H new ATOM 1406 N LEU A 96 -3.995 -1.132 -9.657 1.00 0.00 N ATOM 1407 CA LEU A 96 -5.079 -1.675 -10.468 1.00 0.00 C ATOM 1408 C LEU A 96 -6.395 -1.661 -9.696 1.00 0.00 C ATOM 1409 O LEU A 96 -6.593 -2.447 -8.770 1.00 0.00 O ATOM 1410 CB LEU A 96 -4.748 -3.102 -10.908 1.00 0.00 C ATOM 1411 CG LEU A 96 -5.746 -3.758 -11.862 1.00 0.00 C ATOM 1412 CD1 LEU A 96 -6.099 -2.811 -12.999 1.00 0.00 C ATOM 1413 CD2 LEU A 96 -5.183 -5.062 -12.408 1.00 0.00 C ATOM 0 H LEU A 96 -3.966 -1.486 -8.701 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.190 -1.046 -11.351 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.769 -3.095 -11.387 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.663 -3.725 -10.018 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.657 -3.982 -11.307 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.810 -3.295 -13.668 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.544 -1.903 -12.592 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.196 -2.555 -13.553 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.907 -5.515 -13.085 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.257 -4.861 -12.947 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.981 -5.745 -11.583 1.00 0.00 H new ATOM 1425 N VAL A 97 -7.294 -0.762 -10.087 1.00 0.00 N ATOM 1426 CA VAL A 97 -8.593 -0.648 -9.434 1.00 0.00 C ATOM 1427 C VAL A 97 -9.724 -0.984 -10.400 1.00 0.00 C ATOM 1428 O VAL A 97 -9.544 -0.954 -11.617 1.00 0.00 O ATOM 1429 CB VAL A 97 -8.816 0.769 -8.873 1.00 0.00 C ATOM 1430 CG1 VAL A 97 -7.953 0.997 -7.642 1.00 0.00 C ATOM 1431 CG2 VAL A 97 -8.528 1.815 -9.938 1.00 0.00 C ATOM 0 H VAL A 97 -7.146 -0.103 -10.852 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.598 -1.362 -8.610 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.861 0.864 -8.577 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -8.124 2.003 -7.259 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.214 0.268 -6.875 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.902 0.884 -7.908 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.691 2.810 -9.524 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.493 1.724 -10.267 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -9.194 1.662 -10.788 1.00 0.00 H new ATOM 1441 N ARG A 98 -10.891 -1.304 -9.848 1.00 0.00 N ATOM 1442 CA ARG A 98 -12.052 -1.646 -10.661 1.00 0.00 C ATOM 1443 C ARG A 98 -13.099 -0.538 -10.606 1.00 0.00 C ATOM 1444 O ARG A 98 -13.449 -0.051 -9.531 1.00 0.00 O ATOM 1445 CB ARG A 98 -12.663 -2.964 -10.184 1.00 0.00 C ATOM 1446 CG ARG A 98 -13.342 -3.756 -11.289 1.00 0.00 C ATOM 1447 CD ARG A 98 -13.635 -5.183 -10.853 1.00 0.00 C ATOM 1448 NE ARG A 98 -14.470 -5.230 -9.656 1.00 0.00 N ATOM 1449 CZ ARG A 98 -14.814 -6.357 -9.043 1.00 0.00 C ATOM 1450 NH1 ARG A 98 -14.397 -7.524 -9.513 1.00 0.00 N ATOM 1451 NH2 ARG A 98 -15.576 -6.317 -7.957 1.00 0.00 N ATOM 0 H ARG A 98 -11.057 -1.333 -8.842 1.00 0.00 H new ATOM 0 HA ARG A 98 -11.722 -1.759 -11.694 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -11.880 -3.577 -9.738 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -13.390 -2.755 -9.399 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -14.272 -3.263 -11.573 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.705 -3.768 -12.173 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -14.134 -5.714 -11.664 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -12.697 -5.703 -10.661 1.00 0.00 H new ATOM 0 HE ARG A 98 -14.808 -4.349 -9.269 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -13.811 -7.558 -10.347 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -14.662 -8.388 -9.041 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -15.898 -5.420 -7.593 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -15.840 -7.183 -7.487 1.00 0.00 H new ATOM 1465 N THR A 99 -13.596 -0.142 -11.774 1.00 0.00 N ATOM 1466 CA THR A 99 -14.602 0.909 -11.861 1.00 0.00 C ATOM 1467 C THR A 99 -15.742 0.504 -12.788 1.00 0.00 C ATOM 1468 O THR A 99 -15.651 -0.496 -13.499 1.00 0.00 O ATOM 1469 CB THR A 99 -13.991 2.231 -12.363 1.00 0.00 C ATOM 1470 OG1 THR A 99 -14.833 3.330 -11.998 1.00 0.00 O ATOM 1471 CG2 THR A 99 -13.810 2.204 -13.873 1.00 0.00 C ATOM 0 H THR A 99 -13.318 -0.534 -12.674 1.00 0.00 H new ATOM 0 HA THR A 99 -14.992 1.057 -10.854 1.00 0.00 H new ATOM 0 HB THR A 99 -13.013 2.353 -11.898 1.00 0.00 H new ATOM 0 HG1 THR A 99 -14.437 4.167 -12.319 1.00 0.00 H new ATOM 0 HG21 THR A 99 -13.377 3.148 -14.205 1.00 0.00 H new ATOM 0 HG22 THR A 99 -13.145 1.384 -14.145 1.00 0.00 H new ATOM 0 HG23 THR A 99 -14.778 2.060 -14.353 1.00 0.00 H new ATOM 1479 N TYR A 100 -16.814 1.288 -12.776 1.00 0.00 N ATOM 1480 CA TYR A 100 -17.974 1.010 -13.616 1.00 0.00 C ATOM 1481 C TYR A 100 -17.844 1.701 -14.970 1.00 0.00 C ATOM 1482 O TYR A 100 -17.497 2.879 -15.064 1.00 0.00 O ATOM 1483 CB TYR A 100 -19.256 1.467 -12.918 1.00 0.00 C ATOM 1484 CG TYR A 100 -19.636 0.613 -11.729 1.00 0.00 C ATOM 1485 CD1 TYR A 100 -20.194 -0.647 -11.905 1.00 0.00 C ATOM 1486 CD2 TYR A 100 -19.437 1.067 -10.431 1.00 0.00 C ATOM 1487 CE1 TYR A 100 -20.544 -1.430 -10.822 1.00 0.00 C ATOM 1488 CE2 TYR A 100 -19.782 0.290 -9.342 1.00 0.00 C ATOM 1489 CZ TYR A 100 -20.335 -0.958 -9.543 1.00 0.00 C ATOM 1490 OH TYR A 100 -20.682 -1.734 -8.461 1.00 0.00 O ATOM 0 H TYR A 100 -16.904 2.121 -12.194 1.00 0.00 H new ATOM 0 HA TYR A 100 -18.022 -0.066 -13.781 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -19.132 2.499 -12.589 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -20.075 1.458 -13.638 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -20.357 -1.021 -12.905 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -19.005 2.044 -10.271 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -20.979 -2.406 -10.976 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -19.620 0.657 -8.339 1.00 0.00 H new ATOM 0 HH TYR A 100 -20.468 -1.255 -7.633 1.00 0.00 H new