USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 675 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 51 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Set 1.2: A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 39 SER OG : rot 163:sc= 1.06 USER MOD Set 2.2: A 48 TYR OH : rot -150:sc= 0.926 USER MOD Set 3.1: A 34 THR OG1 : rot -87:sc= 1.23 USER MOD Set 3.2: A 83 THR OG1 : rot 180:sc= 1.12 USER MOD Set 4.1: A 29 SER OG : rot -68:sc= 0.374 USER MOD Set 4.2: A 30 HIS : no HD1:sc= -4.47! C(o=-4.1!,f=-5.2!) USER MOD Single : A 17 ASN : amide:sc= 0.0716 K(o=0.072,f=-3.3!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 70:sc= -0.66 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.936 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.492 USER MOD Single : A 36 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-0.9) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 167:sc= 0 (180deg=-0.206) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -2.17 X(o=-2.2,f=-2.5!) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 81 HIS : no HD1:sc= -0.31 X(o=-0.31,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.0775 USER MOD Single : A 85 HIS : no HD1:sc= -1.15 X(o=-1.1,f=-0.99) USER MOD Single : A 88 GLN : amide:sc= -0.0131 X(o=-0.013,f=-0.16) USER MOD Single : A 89 SER OG : rot -43:sc= 0.187 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot -30:sc= -0.435 USER MOD Single : A 101 ASN : amide:sc= -5.53! C(o=-5.5!,f=-22!) USER MOD Single : A 102 GLN : amide:sc= -0.785! X(o=-0.79!,f=-1.1) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -8.91! C(o=-8.9!,f=-10!) USER MOD Single : A 108 SER OG : rot 79:sc= 0.00227 USER MOD Single : A 111 THR OG1 : rot -120:sc= -0.129 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot -129:sc= 0.501 USER MOD Single : A 116 ASN : amide:sc= -1.03! X(o=-1!,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 173 N ALA A 15 -4.140 -16.227 -6.259 1.00 0.00 N ATOM 174 CA ALA A 15 -3.712 -14.837 -6.170 1.00 0.00 C ATOM 175 C ALA A 15 -3.103 -14.536 -4.804 1.00 0.00 C ATOM 176 O ALA A 15 -3.312 -15.262 -3.832 1.00 0.00 O ATOM 177 CB ALA A 15 -4.883 -13.905 -6.444 1.00 0.00 C ATOM 0 HA ALA A 15 -2.945 -14.671 -6.926 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.548 -12.870 -6.374 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.272 -14.094 -7.445 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.669 -14.083 -5.710 1.00 0.00 H new ATOM 183 N PRO A 16 -2.331 -13.443 -4.728 1.00 0.00 N ATOM 184 CA PRO A 16 -1.675 -13.022 -3.486 1.00 0.00 C ATOM 185 C PRO A 16 -2.671 -12.511 -2.449 1.00 0.00 C ATOM 186 O PRO A 16 -3.697 -11.928 -2.795 1.00 0.00 O ATOM 187 CB PRO A 16 -0.749 -11.891 -3.939 1.00 0.00 C ATOM 188 CG PRO A 16 -1.381 -11.357 -5.178 1.00 0.00 C ATOM 189 CD PRO A 16 -2.038 -12.532 -5.847 1.00 0.00 C ATOM 0 HA PRO A 16 -1.156 -13.848 -3.000 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.663 -11.119 -3.174 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.258 -12.259 -4.135 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.112 -10.584 -4.941 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.636 -10.902 -5.831 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.946 -12.238 -6.374 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.379 -12.996 -6.581 1.00 0.00 H new ATOM 197 N ASN A 17 -2.359 -12.735 -1.177 1.00 0.00 N ATOM 198 CA ASN A 17 -3.227 -12.297 -0.089 1.00 0.00 C ATOM 199 C ASN A 17 -3.265 -10.774 -0.003 1.00 0.00 C ATOM 200 O ASN A 17 -2.245 -10.095 -0.122 1.00 0.00 O ATOM 201 CB ASN A 17 -2.748 -12.883 1.241 1.00 0.00 C ATOM 202 CG ASN A 17 -2.573 -14.388 1.180 1.00 0.00 C ATOM 203 OD1 ASN A 17 -1.776 -14.899 0.392 1.00 0.00 O ATOM 204 ND2 ASN A 17 -3.318 -15.104 2.013 1.00 0.00 N ATOM 0 H ASN A 17 -1.513 -13.217 -0.874 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.235 -12.657 -0.294 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.801 -12.421 1.518 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.465 -12.635 2.024 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.244 -16.121 2.018 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.965 -14.637 2.648 1.00 0.00 H new ATOM 211 N PRO A 18 -4.470 -10.223 0.209 1.00 0.00 N ATOM 212 CA PRO A 18 -4.670 -8.775 0.318 1.00 0.00 C ATOM 213 C PRO A 18 -4.073 -8.202 1.598 1.00 0.00 C ATOM 214 O PRO A 18 -4.381 -8.641 2.706 1.00 0.00 O ATOM 215 CB PRO A 18 -6.193 -8.627 0.325 1.00 0.00 C ATOM 216 CG PRO A 18 -6.698 -9.929 0.844 1.00 0.00 C ATOM 217 CD PRO A 18 -5.729 -10.972 0.361 1.00 0.00 C ATOM 0 HA PRO A 18 -4.179 -8.234 -0.491 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.507 -7.799 0.960 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.576 -8.424 -0.675 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.752 -9.921 1.933 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.704 -10.131 0.477 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.627 -11.788 1.076 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.051 -11.413 -0.582 1.00 0.00 H new ATOM 225 N PRO A 19 -3.199 -7.196 1.446 1.00 0.00 N ATOM 226 CA PRO A 19 -2.542 -6.540 2.580 1.00 0.00 C ATOM 227 C PRO A 19 -3.511 -5.702 3.407 1.00 0.00 C ATOM 228 O PRO A 19 -4.499 -5.184 2.886 1.00 0.00 O ATOM 229 CB PRO A 19 -1.495 -5.644 1.914 1.00 0.00 C ATOM 230 CG PRO A 19 -2.035 -5.379 0.551 1.00 0.00 C ATOM 231 CD PRO A 19 -2.786 -6.621 0.155 1.00 0.00 C ATOM 0 HA PRO A 19 -2.122 -7.262 3.280 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.355 -4.718 2.471 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.524 -6.138 1.866 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.692 -4.510 0.554 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.230 -5.168 -0.153 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.645 -6.388 -0.474 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.156 -7.309 -0.408 1.00 0.00 H new ATOM 239 N SER A 20 -3.223 -5.573 4.698 1.00 0.00 N ATOM 240 CA SER A 20 -4.071 -4.801 5.598 1.00 0.00 C ATOM 241 C SER A 20 -3.418 -3.469 5.952 1.00 0.00 C ATOM 242 O SER A 20 -2.478 -3.418 6.746 1.00 0.00 O ATOM 243 CB SER A 20 -4.356 -5.597 6.873 1.00 0.00 C ATOM 244 OG SER A 20 -5.520 -6.392 6.729 1.00 0.00 O ATOM 0 H SER A 20 -2.408 -5.994 5.144 1.00 0.00 H new ATOM 0 HA SER A 20 -5.012 -4.599 5.086 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.503 -6.235 7.106 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.481 -4.913 7.712 1.00 0.00 H new ATOM 0 HG SER A 20 -5.679 -6.892 7.557 1.00 0.00 H new ATOM 250 N ILE A 21 -3.922 -2.393 5.356 1.00 0.00 N ATOM 251 CA ILE A 21 -3.388 -1.060 5.609 1.00 0.00 C ATOM 252 C ILE A 21 -3.759 -0.575 7.006 1.00 0.00 C ATOM 253 O ILE A 21 -4.909 -0.220 7.266 1.00 0.00 O ATOM 254 CB ILE A 21 -3.900 -0.043 4.572 1.00 0.00 C ATOM 255 CG1 ILE A 21 -3.589 -0.527 3.154 1.00 0.00 C ATOM 256 CG2 ILE A 21 -3.279 1.324 4.819 1.00 0.00 C ATOM 257 CD1 ILE A 21 -4.206 0.333 2.073 1.00 0.00 C ATOM 0 H ILE A 21 -4.699 -2.418 4.695 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.303 -1.134 5.529 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.981 0.047 4.676 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.508 -0.550 3.016 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.947 -1.550 3.041 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.651 2.032 4.078 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.546 1.670 5.817 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.194 1.251 4.739 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.944 -0.069 1.094 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.290 0.337 2.185 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.829 1.352 2.159 1.00 0.00 H new ATOM 269 N ARG A 22 -2.777 -0.561 7.901 1.00 0.00 N ATOM 270 CA ARG A 22 -3.000 -0.118 9.273 1.00 0.00 C ATOM 271 C ARG A 22 -3.075 1.404 9.347 1.00 0.00 C ATOM 272 O ARG A 22 -2.056 2.089 9.270 1.00 0.00 O ATOM 273 CB ARG A 22 -1.883 -0.630 10.184 1.00 0.00 C ATOM 274 CG ARG A 22 -1.794 -2.146 10.247 1.00 0.00 C ATOM 275 CD ARG A 22 -2.922 -2.735 11.079 1.00 0.00 C ATOM 276 NE ARG A 22 -2.555 -2.863 12.487 1.00 0.00 N ATOM 277 CZ ARG A 22 -3.414 -3.198 13.443 1.00 0.00 C ATOM 278 NH1 ARG A 22 -4.684 -3.436 13.144 1.00 0.00 N ATOM 279 NH2 ARG A 22 -3.004 -3.294 14.701 1.00 0.00 N ATOM 0 H ARG A 22 -1.820 -0.851 7.702 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.952 -0.528 9.611 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.930 -0.233 9.834 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.040 -0.242 11.190 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.832 -2.556 9.238 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.835 -2.438 10.674 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.806 -2.103 10.991 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.190 -3.715 10.684 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.586 -2.685 12.751 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.003 -3.362 12.178 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.342 -3.693 13.880 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.028 -3.110 14.935 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.665 -3.551 15.434 1.00 0.00 H new ATOM 293 N GLU A 23 -4.289 1.924 9.497 1.00 0.00 N ATOM 294 CA GLU A 23 -4.497 3.365 9.581 1.00 0.00 C ATOM 295 C GLU A 23 -3.947 3.919 10.893 1.00 0.00 C ATOM 296 O GLU A 23 -3.431 5.035 10.939 1.00 0.00 O ATOM 297 CB GLU A 23 -5.986 3.697 9.458 1.00 0.00 C ATOM 298 CG GLU A 23 -6.511 3.620 8.035 1.00 0.00 C ATOM 299 CD GLU A 23 -8.007 3.853 7.952 1.00 0.00 C ATOM 300 OE1 GLU A 23 -8.542 4.584 8.812 1.00 0.00 O ATOM 301 OE2 GLU A 23 -8.643 3.305 7.028 1.00 0.00 O ATOM 0 H GLU A 23 -5.143 1.370 9.563 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.959 3.832 8.756 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.556 3.010 10.084 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.159 4.701 9.846 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.997 4.360 7.422 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.276 2.641 7.617 1.00 0.00 H new ATOM 308 N GLU A 24 -4.064 3.130 11.956 1.00 0.00 N ATOM 309 CA GLU A 24 -3.581 3.542 13.269 1.00 0.00 C ATOM 310 C GLU A 24 -2.071 3.763 13.248 1.00 0.00 C ATOM 311 O GLU A 24 -1.554 4.660 13.915 1.00 0.00 O ATOM 312 CB GLU A 24 -3.939 2.491 14.322 1.00 0.00 C ATOM 313 CG GLU A 24 -3.289 1.139 14.078 1.00 0.00 C ATOM 314 CD GLU A 24 -3.492 0.178 15.233 1.00 0.00 C ATOM 315 OE1 GLU A 24 -4.622 -0.326 15.395 1.00 0.00 O ATOM 316 OE2 GLU A 24 -2.518 -0.070 15.975 1.00 0.00 O ATOM 0 H GLU A 24 -4.489 2.203 11.934 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.066 4.484 13.527 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.640 2.857 15.304 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.022 2.366 14.345 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.701 0.701 13.169 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.221 1.278 13.909 1.00 0.00 H new ATOM 323 N LEU A 25 -1.369 2.940 12.477 1.00 0.00 N ATOM 324 CA LEU A 25 0.082 3.043 12.368 1.00 0.00 C ATOM 325 C LEU A 25 0.477 4.078 11.319 1.00 0.00 C ATOM 326 O LEU A 25 1.576 4.631 11.361 1.00 0.00 O ATOM 327 CB LEU A 25 0.685 1.683 12.013 1.00 0.00 C ATOM 328 CG LEU A 25 0.193 0.494 12.838 1.00 0.00 C ATOM 329 CD1 LEU A 25 0.808 -0.800 12.329 1.00 0.00 C ATOM 330 CD2 LEU A 25 0.516 0.697 14.311 1.00 0.00 C ATOM 0 H LEU A 25 -1.781 2.193 11.918 1.00 0.00 H new ATOM 0 HA LEU A 25 0.472 3.365 13.334 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.479 1.480 10.962 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.768 1.750 12.119 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.889 0.425 12.730 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.446 -1.635 12.928 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.526 -0.952 11.287 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.894 -0.742 12.406 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.159 -0.159 14.883 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.594 0.793 14.437 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.027 1.603 14.669 1.00 0.00 H new ATOM 342 N CYS A 26 -0.428 4.336 10.381 1.00 0.00 N ATOM 343 CA CYS A 26 -0.174 5.305 9.321 1.00 0.00 C ATOM 344 C CYS A 26 0.142 6.679 9.905 1.00 0.00 C ATOM 345 O CYS A 26 -0.191 6.969 11.054 1.00 0.00 O ATOM 346 CB CYS A 26 -1.383 5.400 8.389 1.00 0.00 C ATOM 347 SG CYS A 26 -1.450 4.100 7.133 1.00 0.00 S ATOM 0 H CYS A 26 -1.343 3.888 10.333 1.00 0.00 H new ATOM 0 HA CYS A 26 0.690 4.965 8.750 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -2.293 5.360 8.987 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.370 6.370 7.892 1.00 0.00 H new ATOM 0 HG CYS A 26 -1.712 2.961 7.701 1.00 0.00 H new ATOM 353 N THR A 27 0.789 7.521 9.105 1.00 0.00 N ATOM 354 CA THR A 27 1.153 8.863 9.542 1.00 0.00 C ATOM 355 C THR A 27 1.016 9.868 8.405 1.00 0.00 C ATOM 356 O THR A 27 1.349 9.571 7.258 1.00 0.00 O ATOM 357 CB THR A 27 2.596 8.906 10.080 1.00 0.00 C ATOM 358 OG1 THR A 27 3.513 8.516 9.052 1.00 0.00 O ATOM 359 CG2 THR A 27 2.753 7.987 11.282 1.00 0.00 C ATOM 0 H THR A 27 1.072 7.297 8.151 1.00 0.00 H new ATOM 0 HA THR A 27 0.466 9.132 10.344 1.00 0.00 H new ATOM 0 HB THR A 27 2.814 9.927 10.393 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.428 8.547 9.401 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.780 8.034 11.644 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.074 8.304 12.074 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.518 6.963 10.991 1.00 0.00 H new ATOM 367 N ALA A 28 0.525 11.059 8.730 1.00 0.00 N ATOM 368 CA ALA A 28 0.347 12.110 7.735 1.00 0.00 C ATOM 369 C ALA A 28 1.236 13.310 8.039 1.00 0.00 C ATOM 370 O ALA A 28 1.376 13.714 9.193 1.00 0.00 O ATOM 371 CB ALA A 28 -1.113 12.534 7.671 1.00 0.00 C ATOM 0 H ALA A 28 0.243 11.321 9.675 1.00 0.00 H new ATOM 0 HA ALA A 28 0.641 11.711 6.764 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.231 13.319 6.924 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.729 11.677 7.398 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.426 12.910 8.645 1.00 0.00 H new ATOM 377 N SER A 29 1.835 13.876 6.997 1.00 0.00 N ATOM 378 CA SER A 29 2.715 15.029 7.153 1.00 0.00 C ATOM 379 C SER A 29 2.329 16.143 6.186 1.00 0.00 C ATOM 380 O SER A 29 1.590 15.919 5.226 1.00 0.00 O ATOM 381 CB SER A 29 4.171 14.620 6.923 1.00 0.00 C ATOM 382 OG SER A 29 5.055 15.443 7.665 1.00 0.00 O ATOM 0 H SER A 29 1.727 13.555 6.035 1.00 0.00 H new ATOM 0 HA SER A 29 2.606 15.403 8.171 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.310 13.578 7.213 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.408 14.690 5.861 1.00 0.00 H new ATOM 0 HG SER A 29 5.043 16.351 7.297 1.00 0.00 H new ATOM 388 N HIS A 30 2.834 17.345 6.445 1.00 0.00 N ATOM 389 CA HIS A 30 2.542 18.496 5.597 1.00 0.00 C ATOM 390 C HIS A 30 2.655 18.126 4.122 1.00 0.00 C ATOM 391 O HIS A 30 1.697 18.266 3.362 1.00 0.00 O ATOM 392 CB HIS A 30 3.494 19.648 5.921 1.00 0.00 C ATOM 393 CG HIS A 30 4.935 19.242 5.958 1.00 0.00 C ATOM 394 ND1 HIS A 30 5.484 18.510 6.990 1.00 0.00 N ATOM 395 CD2 HIS A 30 5.942 19.467 5.082 1.00 0.00 C ATOM 396 CE1 HIS A 30 6.767 18.305 6.747 1.00 0.00 C ATOM 397 NE2 HIS A 30 7.069 18.875 5.595 1.00 0.00 N ATOM 0 H HIS A 30 3.447 17.548 7.235 1.00 0.00 H new ATOM 0 HA HIS A 30 1.518 18.813 5.796 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.366 20.435 5.177 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.220 20.074 6.886 1.00 0.00 H new ATOM 0 HD2 HIS A 30 5.872 20.011 4.152 1.00 0.00 H new ATOM 0 HE1 HIS A 30 7.452 17.763 7.383 1.00 0.00 H new ATOM 0 HE2 HIS A 30 7.990 18.875 5.157 1.00 0.00 H new ATOM 406 N ASP A 31 3.831 17.654 3.723 1.00 0.00 N ATOM 407 CA ASP A 31 4.069 17.264 2.338 1.00 0.00 C ATOM 408 C ASP A 31 4.623 15.845 2.261 1.00 0.00 C ATOM 409 O ASP A 31 5.451 15.535 1.404 1.00 0.00 O ATOM 410 CB ASP A 31 5.039 18.240 1.671 1.00 0.00 C ATOM 411 CG ASP A 31 6.350 18.360 2.423 1.00 0.00 C ATOM 412 OD1 ASP A 31 6.669 17.443 3.208 1.00 0.00 O ATOM 413 OD2 ASP A 31 7.057 19.371 2.227 1.00 0.00 O ATOM 0 H ASP A 31 4.635 17.532 4.339 1.00 0.00 H new ATOM 0 HA ASP A 31 3.116 17.292 1.809 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.238 17.910 0.651 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.572 19.222 1.603 1.00 0.00 H new ATOM 418 N THR A 32 4.162 14.985 3.164 1.00 0.00 N ATOM 419 CA THR A 32 4.612 13.599 3.201 1.00 0.00 C ATOM 420 C THR A 32 3.599 12.710 3.913 1.00 0.00 C ATOM 421 O THR A 32 2.837 13.177 4.760 1.00 0.00 O ATOM 422 CB THR A 32 5.976 13.470 3.905 1.00 0.00 C ATOM 423 OG1 THR A 32 6.745 14.661 3.705 1.00 0.00 O ATOM 424 CG2 THR A 32 6.746 12.269 3.377 1.00 0.00 C ATOM 0 H THR A 32 3.476 15.225 3.880 1.00 0.00 H new ATOM 0 HA THR A 32 4.713 13.272 2.166 1.00 0.00 H new ATOM 0 HB THR A 32 5.798 13.328 4.971 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.610 14.572 4.157 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.706 12.198 3.889 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.171 11.361 3.557 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.914 12.386 2.306 1.00 0.00 H new ATOM 432 N ILE A 33 3.596 11.428 3.564 1.00 0.00 N ATOM 433 CA ILE A 33 2.677 10.474 4.172 1.00 0.00 C ATOM 434 C ILE A 33 3.254 9.062 4.146 1.00 0.00 C ATOM 435 O ILE A 33 3.701 8.581 3.105 1.00 0.00 O ATOM 436 CB ILE A 33 1.313 10.472 3.458 1.00 0.00 C ATOM 437 CG1 ILE A 33 0.595 11.805 3.681 1.00 0.00 C ATOM 438 CG2 ILE A 33 0.458 9.314 3.951 1.00 0.00 C ATOM 439 CD1 ILE A 33 -0.746 11.892 2.986 1.00 0.00 C ATOM 0 H ILE A 33 4.219 11.026 2.864 1.00 0.00 H new ATOM 0 HA ILE A 33 2.536 10.788 5.206 1.00 0.00 H new ATOM 0 HB ILE A 33 1.479 10.345 2.388 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.451 11.957 4.751 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.232 12.615 3.327 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.503 9.327 3.437 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.967 8.372 3.746 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.296 9.412 5.024 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.198 12.863 3.188 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.607 11.772 1.912 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.400 11.103 3.358 1.00 0.00 H new ATOM 451 N THR A 34 3.240 8.402 5.300 1.00 0.00 N ATOM 452 CA THR A 34 3.760 7.045 5.410 1.00 0.00 C ATOM 453 C THR A 34 2.644 6.050 5.709 1.00 0.00 C ATOM 454 O THR A 34 1.976 6.143 6.739 1.00 0.00 O ATOM 455 CB THR A 34 4.832 6.942 6.511 1.00 0.00 C ATOM 456 OG1 THR A 34 5.891 7.871 6.252 1.00 0.00 O ATOM 457 CG2 THR A 34 5.396 5.531 6.587 1.00 0.00 C ATOM 0 H THR A 34 2.874 8.785 6.171 1.00 0.00 H new ATOM 0 HA THR A 34 4.212 6.801 4.448 1.00 0.00 H new ATOM 0 HB THR A 34 4.364 7.181 7.466 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.554 7.455 5.662 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.151 5.483 7.372 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.593 4.830 6.813 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.849 5.268 5.631 1.00 0.00 H new ATOM 465 N VAL A 35 2.447 5.098 4.802 1.00 0.00 N ATOM 466 CA VAL A 35 1.412 4.085 4.970 1.00 0.00 C ATOM 467 C VAL A 35 2.007 2.767 5.452 1.00 0.00 C ATOM 468 O VAL A 35 3.048 2.327 4.962 1.00 0.00 O ATOM 469 CB VAL A 35 0.648 3.840 3.655 1.00 0.00 C ATOM 470 CG1 VAL A 35 -0.461 2.821 3.864 1.00 0.00 C ATOM 471 CG2 VAL A 35 0.087 5.147 3.114 1.00 0.00 C ATOM 0 H VAL A 35 2.991 5.007 3.944 1.00 0.00 H new ATOM 0 HA VAL A 35 0.717 4.463 5.720 1.00 0.00 H new ATOM 0 HB VAL A 35 1.345 3.438 2.920 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.990 2.661 2.924 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.030 1.879 4.203 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.159 3.192 4.614 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.450 4.956 2.185 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.596 5.580 3.845 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.904 5.843 2.924 1.00 0.00 H new ATOM 481 N HIS A 36 1.340 2.140 6.415 1.00 0.00 N ATOM 482 CA HIS A 36 1.802 0.869 6.964 1.00 0.00 C ATOM 483 C HIS A 36 0.826 -0.254 6.629 1.00 0.00 C ATOM 484 O HIS A 36 -0.359 -0.176 6.954 1.00 0.00 O ATOM 485 CB HIS A 36 1.975 0.977 8.479 1.00 0.00 C ATOM 486 CG HIS A 36 2.926 2.055 8.899 1.00 0.00 C ATOM 487 ND1 HIS A 36 3.905 1.866 9.851 1.00 0.00 N ATOM 488 CD2 HIS A 36 3.046 3.339 8.488 1.00 0.00 C ATOM 489 CE1 HIS A 36 4.584 2.988 10.010 1.00 0.00 C ATOM 490 NE2 HIS A 36 4.083 3.897 9.194 1.00 0.00 N ATOM 0 H HIS A 36 0.478 2.491 6.832 1.00 0.00 H new ATOM 0 HA HIS A 36 2.766 0.635 6.512 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.003 1.164 8.935 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.329 0.021 8.865 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.439 3.833 7.743 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.409 3.136 10.691 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.413 4.858 9.103 1.00 0.00 H new ATOM 499 N TRP A 37 1.331 -1.296 5.979 1.00 0.00 N ATOM 500 CA TRP A 37 0.503 -2.435 5.601 1.00 0.00 C ATOM 501 C TRP A 37 1.004 -3.716 6.259 1.00 0.00 C ATOM 502 O TRP A 37 2.203 -3.999 6.254 1.00 0.00 O ATOM 503 CB TRP A 37 0.491 -2.600 4.080 1.00 0.00 C ATOM 504 CG TRP A 37 1.856 -2.537 3.465 1.00 0.00 C ATOM 505 CD1 TRP A 37 2.730 -3.574 3.302 1.00 0.00 C ATOM 506 CD2 TRP A 37 2.503 -1.376 2.932 1.00 0.00 C ATOM 507 NE1 TRP A 37 3.882 -3.127 2.701 1.00 0.00 N ATOM 508 CE2 TRP A 37 3.767 -1.783 2.462 1.00 0.00 C ATOM 509 CE3 TRP A 37 2.137 -0.034 2.804 1.00 0.00 C ATOM 510 CZ2 TRP A 37 4.665 -0.894 1.877 1.00 0.00 C ATOM 511 CZ3 TRP A 37 3.029 0.847 2.222 1.00 0.00 C ATOM 512 CH2 TRP A 37 4.280 0.414 1.764 1.00 0.00 C ATOM 0 H TRP A 37 2.310 -1.376 5.703 1.00 0.00 H new ATOM 0 HA TRP A 37 -0.513 -2.244 5.948 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.031 -3.556 3.829 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.133 -1.821 3.642 1.00 0.00 H new ATOM 0 HD1 TRP A 37 2.543 -4.595 3.601 1.00 0.00 H new ATOM 0 HE1 TRP A 37 4.692 -3.703 2.470 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.174 0.309 3.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 5.631 -1.225 1.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.757 1.887 2.119 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.954 1.127 1.313 1.00 0.00 H new ATOM 523 N ILE A 38 0.081 -4.486 6.824 1.00 0.00 N ATOM 524 CA ILE A 38 0.431 -5.738 7.485 1.00 0.00 C ATOM 525 C ILE A 38 -0.053 -6.939 6.680 1.00 0.00 C ATOM 526 O ILE A 38 -1.185 -6.960 6.197 1.00 0.00 O ATOM 527 CB ILE A 38 -0.165 -5.811 8.903 1.00 0.00 C ATOM 528 CG1 ILE A 38 0.311 -7.079 9.615 1.00 0.00 C ATOM 529 CG2 ILE A 38 -1.684 -5.770 8.842 1.00 0.00 C ATOM 530 CD1 ILE A 38 1.594 -6.889 10.394 1.00 0.00 C ATOM 0 H ILE A 38 -0.915 -4.266 6.838 1.00 0.00 H new ATOM 0 HA ILE A 38 1.518 -5.765 7.555 1.00 0.00 H new ATOM 0 HB ILE A 38 0.180 -4.947 9.471 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.470 -7.419 10.295 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.457 -7.868 8.877 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.090 -5.822 9.852 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.004 -4.841 8.370 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.048 -6.617 8.260 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.872 -7.828 10.872 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.389 -6.578 9.716 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.447 -6.123 11.156 1.00 0.00 H new ATOM 542 N SER A 39 0.813 -7.938 6.540 1.00 0.00 N ATOM 543 CA SER A 39 0.475 -9.143 5.791 1.00 0.00 C ATOM 544 C SER A 39 0.990 -10.388 6.505 1.00 0.00 C ATOM 545 O SER A 39 2.067 -10.374 7.102 1.00 0.00 O ATOM 546 CB SER A 39 1.059 -9.072 4.379 1.00 0.00 C ATOM 547 OG SER A 39 0.678 -7.872 3.729 1.00 0.00 O ATOM 0 H SER A 39 1.753 -7.937 6.935 1.00 0.00 H new ATOM 0 HA SER A 39 -0.611 -9.207 5.724 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.146 -9.133 4.428 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.718 -9.928 3.797 1.00 0.00 H new ATOM 0 HG SER A 39 1.263 -7.717 2.958 1.00 0.00 H new ATOM 553 N ASP A 40 0.214 -11.464 6.439 1.00 0.00 N ATOM 554 CA ASP A 40 0.591 -12.720 7.077 1.00 0.00 C ATOM 555 C ASP A 40 1.500 -13.541 6.167 1.00 0.00 C ATOM 556 O ASP A 40 2.472 -14.143 6.624 1.00 0.00 O ATOM 557 CB ASP A 40 -0.656 -13.528 7.438 1.00 0.00 C ATOM 558 CG ASP A 40 -1.691 -12.699 8.173 1.00 0.00 C ATOM 559 OD1 ASP A 40 -1.306 -11.958 9.100 1.00 0.00 O ATOM 560 OD2 ASP A 40 -2.886 -12.793 7.821 1.00 0.00 O ATOM 0 H ASP A 40 -0.681 -11.492 5.950 1.00 0.00 H new ATOM 0 HA ASP A 40 1.138 -12.485 7.990 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.099 -13.933 6.528 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -0.368 -14.377 8.058 1.00 0.00 H new ATOM 565 N ASP A 41 1.175 -13.562 4.879 1.00 0.00 N ATOM 566 CA ASP A 41 1.962 -14.309 3.905 1.00 0.00 C ATOM 567 C ASP A 41 2.478 -13.389 2.803 1.00 0.00 C ATOM 568 O ASP A 41 1.784 -13.136 1.818 1.00 0.00 O ATOM 569 CB ASP A 41 1.124 -15.435 3.297 1.00 0.00 C ATOM 570 CG ASP A 41 0.951 -16.605 4.244 1.00 0.00 C ATOM 571 OD1 ASP A 41 0.681 -16.366 5.440 1.00 0.00 O ATOM 572 OD2 ASP A 41 1.086 -17.761 3.790 1.00 0.00 O ATOM 0 H ASP A 41 0.372 -13.071 4.485 1.00 0.00 H new ATOM 0 HA ASP A 41 2.818 -14.742 4.421 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.144 -15.046 3.022 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.598 -15.782 2.379 1.00 0.00 H new ATOM 577 N GLU A 42 3.699 -12.892 2.976 1.00 0.00 N ATOM 578 CA GLU A 42 4.305 -11.999 1.997 1.00 0.00 C ATOM 579 C GLU A 42 5.619 -12.576 1.475 1.00 0.00 C ATOM 580 O GLU A 42 6.466 -11.849 0.956 1.00 0.00 O ATOM 581 CB GLU A 42 4.550 -10.621 2.613 1.00 0.00 C ATOM 582 CG GLU A 42 5.668 -10.604 3.642 1.00 0.00 C ATOM 583 CD GLU A 42 6.207 -9.209 3.896 1.00 0.00 C ATOM 584 OE1 GLU A 42 5.394 -8.265 3.972 1.00 0.00 O ATOM 585 OE2 GLU A 42 7.441 -9.063 4.017 1.00 0.00 O ATOM 0 H GLU A 42 4.287 -13.093 3.785 1.00 0.00 H new ATOM 0 HA GLU A 42 3.614 -11.897 1.160 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.788 -9.914 1.818 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.630 -10.274 3.083 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.301 -11.024 4.579 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.480 -11.247 3.301 1.00 0.00 H new ATOM 592 N PHE A 43 5.780 -13.887 1.616 1.00 0.00 N ATOM 593 CA PHE A 43 6.989 -14.562 1.161 1.00 0.00 C ATOM 594 C PHE A 43 6.923 -14.847 -0.337 1.00 0.00 C ATOM 595 O PHE A 43 7.946 -14.879 -1.020 1.00 0.00 O ATOM 596 CB PHE A 43 7.191 -15.869 1.931 1.00 0.00 C ATOM 597 CG PHE A 43 7.893 -15.687 3.246 1.00 0.00 C ATOM 598 CD1 PHE A 43 7.185 -15.325 4.381 1.00 0.00 C ATOM 599 CD2 PHE A 43 9.262 -15.878 3.348 1.00 0.00 C ATOM 600 CE1 PHE A 43 7.829 -15.158 5.593 1.00 0.00 C ATOM 601 CE2 PHE A 43 9.911 -15.712 4.557 1.00 0.00 C ATOM 602 CZ PHE A 43 9.194 -15.351 5.680 1.00 0.00 C ATOM 0 H PHE A 43 5.088 -14.503 2.042 1.00 0.00 H new ATOM 0 HA PHE A 43 7.835 -13.902 1.351 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.220 -16.331 2.108 1.00 0.00 H new ATOM 0 HB3 PHE A 43 7.765 -16.560 1.314 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.118 -15.172 4.318 1.00 0.00 H new ATOM 0 HD2 PHE A 43 9.828 -16.160 2.473 1.00 0.00 H new ATOM 0 HE1 PHE A 43 7.266 -14.877 6.471 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.978 -15.865 4.623 1.00 0.00 H new ATOM 0 HZ PHE A 43 9.700 -15.220 6.625 1.00 0.00 H new ATOM 612 N SER A 44 5.710 -15.054 -0.840 1.00 0.00 N ATOM 613 CA SER A 44 5.509 -15.340 -2.256 1.00 0.00 C ATOM 614 C SER A 44 5.510 -14.054 -3.076 1.00 0.00 C ATOM 615 O SER A 44 6.080 -14.001 -4.166 1.00 0.00 O ATOM 616 CB SER A 44 4.192 -16.090 -2.464 1.00 0.00 C ATOM 617 OG SER A 44 4.202 -17.337 -1.791 1.00 0.00 O ATOM 0 H SER A 44 4.852 -15.029 -0.289 1.00 0.00 H new ATOM 0 HA SER A 44 6.334 -15.967 -2.595 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.363 -15.483 -2.099 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.025 -16.250 -3.529 1.00 0.00 H new ATOM 0 HG SER A 44 3.348 -17.795 -1.939 1.00 0.00 H new ATOM 623 N ILE A 45 4.869 -13.019 -2.543 1.00 0.00 N ATOM 624 CA ILE A 45 4.797 -11.733 -3.224 1.00 0.00 C ATOM 625 C ILE A 45 6.165 -11.310 -3.747 1.00 0.00 C ATOM 626 O ILE A 45 7.079 -11.033 -2.970 1.00 0.00 O ATOM 627 CB ILE A 45 4.252 -10.633 -2.294 1.00 0.00 C ATOM 628 CG1 ILE A 45 2.858 -11.007 -1.787 1.00 0.00 C ATOM 629 CG2 ILE A 45 4.216 -9.296 -3.019 1.00 0.00 C ATOM 630 CD1 ILE A 45 2.298 -10.027 -0.781 1.00 0.00 C ATOM 0 H ILE A 45 4.392 -13.046 -1.642 1.00 0.00 H new ATOM 0 HA ILE A 45 4.113 -11.859 -4.064 1.00 0.00 H new ATOM 0 HB ILE A 45 4.918 -10.541 -1.436 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.177 -11.073 -2.636 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.899 -11.997 -1.333 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.829 -8.529 -2.349 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.224 -9.026 -3.335 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.570 -9.374 -3.893 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.308 -10.355 -0.465 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.957 -9.978 0.086 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.225 -9.040 -1.237 1.00 0.00 H new ATOM 642 N SER A 46 6.299 -11.260 -5.068 1.00 0.00 N ATOM 643 CA SER A 46 7.557 -10.872 -5.696 1.00 0.00 C ATOM 644 C SER A 46 7.915 -9.430 -5.348 1.00 0.00 C ATOM 645 O SER A 46 9.090 -9.078 -5.250 1.00 0.00 O ATOM 646 CB SER A 46 7.466 -11.035 -7.214 1.00 0.00 C ATOM 647 OG SER A 46 8.739 -10.893 -7.820 1.00 0.00 O ATOM 0 H SER A 46 5.551 -11.483 -5.725 1.00 0.00 H new ATOM 0 HA SER A 46 8.342 -11.525 -5.315 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.053 -12.015 -7.453 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.781 -10.292 -7.622 1.00 0.00 H new ATOM 0 HG SER A 46 8.654 -11.003 -8.790 1.00 0.00 H new ATOM 653 N SER A 47 6.893 -8.601 -5.164 1.00 0.00 N ATOM 654 CA SER A 47 7.098 -7.196 -4.832 1.00 0.00 C ATOM 655 C SER A 47 5.774 -6.519 -4.491 1.00 0.00 C ATOM 656 O SER A 47 4.705 -6.994 -4.874 1.00 0.00 O ATOM 657 CB SER A 47 7.771 -6.468 -5.997 1.00 0.00 C ATOM 658 OG SER A 47 7.037 -6.639 -7.197 1.00 0.00 O ATOM 0 H SER A 47 5.914 -8.878 -5.239 1.00 0.00 H new ATOM 0 HA SER A 47 7.747 -7.146 -3.958 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.855 -5.406 -5.767 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.785 -6.846 -6.130 1.00 0.00 H new ATOM 0 HG SER A 47 7.487 -6.163 -7.926 1.00 0.00 H new ATOM 664 N TYR A 48 5.855 -5.408 -3.767 1.00 0.00 N ATOM 665 CA TYR A 48 4.664 -4.666 -3.371 1.00 0.00 C ATOM 666 C TYR A 48 4.461 -3.445 -4.263 1.00 0.00 C ATOM 667 O TYR A 48 5.376 -3.019 -4.967 1.00 0.00 O ATOM 668 CB TYR A 48 4.771 -4.231 -1.909 1.00 0.00 C ATOM 669 CG TYR A 48 4.192 -5.233 -0.935 1.00 0.00 C ATOM 670 CD1 TYR A 48 2.828 -5.498 -0.910 1.00 0.00 C ATOM 671 CD2 TYR A 48 5.008 -5.913 -0.040 1.00 0.00 C ATOM 672 CE1 TYR A 48 2.294 -6.412 -0.022 1.00 0.00 C ATOM 673 CE2 TYR A 48 4.483 -6.830 0.850 1.00 0.00 C ATOM 674 CZ TYR A 48 3.126 -7.076 0.856 1.00 0.00 C ATOM 675 OH TYR A 48 2.599 -7.987 1.742 1.00 0.00 O ATOM 0 H TYR A 48 6.733 -5.002 -3.443 1.00 0.00 H new ATOM 0 HA TYR A 48 3.803 -5.324 -3.485 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.820 -4.063 -1.664 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.258 -3.277 -1.784 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.174 -4.981 -1.596 1.00 0.00 H new ATOM 0 HD2 TYR A 48 6.071 -5.722 -0.040 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.232 -6.606 -0.015 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.132 -7.352 1.538 1.00 0.00 H new ATOM 0 HH TYR A 48 3.146 -8.007 2.555 1.00 0.00 H new ATOM 685 N GLU A 49 3.255 -2.886 -4.225 1.00 0.00 N ATOM 686 CA GLU A 49 2.932 -1.714 -5.030 1.00 0.00 C ATOM 687 C GLU A 49 2.065 -0.736 -4.242 1.00 0.00 C ATOM 688 O GLU A 49 1.013 -1.104 -3.717 1.00 0.00 O ATOM 689 CB GLU A 49 2.211 -2.132 -6.313 1.00 0.00 C ATOM 690 CG GLU A 49 2.108 -1.019 -7.343 1.00 0.00 C ATOM 691 CD GLU A 49 2.039 0.357 -6.710 1.00 0.00 C ATOM 692 OE1 GLU A 49 0.923 0.795 -6.360 1.00 0.00 O ATOM 693 OE2 GLU A 49 3.102 0.996 -6.564 1.00 0.00 O ATOM 0 H GLU A 49 2.487 -3.226 -3.646 1.00 0.00 H new ATOM 0 HA GLU A 49 3.865 -1.216 -5.292 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.736 -2.978 -6.756 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.208 -2.476 -6.061 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.969 -1.065 -8.010 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.221 -1.178 -7.956 1.00 0.00 H new ATOM 700 N LEU A 50 2.513 0.512 -4.163 1.00 0.00 N ATOM 701 CA LEU A 50 1.780 1.545 -3.439 1.00 0.00 C ATOM 702 C LEU A 50 1.014 2.445 -4.403 1.00 0.00 C ATOM 703 O LEU A 50 1.610 3.119 -5.243 1.00 0.00 O ATOM 704 CB LEU A 50 2.741 2.383 -2.594 1.00 0.00 C ATOM 705 CG LEU A 50 2.095 3.300 -1.555 1.00 0.00 C ATOM 706 CD1 LEU A 50 1.662 2.502 -0.334 1.00 0.00 C ATOM 707 CD2 LEU A 50 3.054 4.411 -1.155 1.00 0.00 C ATOM 0 H LEU A 50 3.381 0.833 -4.592 1.00 0.00 H new ATOM 0 HA LEU A 50 1.062 1.054 -2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.424 1.707 -2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.344 2.995 -3.265 1.00 0.00 H new ATOM 0 HG LEU A 50 1.209 3.754 -2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.204 3.171 0.395 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.939 1.743 -0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.532 2.020 0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.578 5.054 -0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.958 3.976 -0.729 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.315 5.001 -2.034 1.00 0.00 H new ATOM 719 N GLN A 51 -0.309 2.454 -4.272 1.00 0.00 N ATOM 720 CA GLN A 51 -1.155 3.273 -5.131 1.00 0.00 C ATOM 721 C GLN A 51 -1.810 4.398 -4.336 1.00 0.00 C ATOM 722 O GLN A 51 -2.636 4.151 -3.457 1.00 0.00 O ATOM 723 CB GLN A 51 -2.229 2.411 -5.797 1.00 0.00 C ATOM 724 CG GLN A 51 -1.664 1.292 -6.657 1.00 0.00 C ATOM 725 CD GLN A 51 -2.716 0.640 -7.532 1.00 0.00 C ATOM 726 OE1 GLN A 51 -3.916 0.799 -7.303 1.00 0.00 O ATOM 727 NE2 GLN A 51 -2.272 -0.099 -8.541 1.00 0.00 N ATOM 0 H GLN A 51 -0.817 1.904 -3.580 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.525 3.716 -5.902 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.866 1.979 -5.025 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.863 3.048 -6.414 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.868 1.690 -7.287 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.213 0.537 -6.013 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.269 -0.204 -8.694 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.934 -0.562 -9.164 1.00 0.00 H new ATOM 736 N TYR A 52 -1.436 5.633 -4.650 1.00 0.00 N ATOM 737 CA TYR A 52 -1.985 6.796 -3.963 1.00 0.00 C ATOM 738 C TYR A 52 -2.504 7.825 -4.962 1.00 0.00 C ATOM 739 O TYR A 52 -2.097 7.840 -6.125 1.00 0.00 O ATOM 740 CB TYR A 52 -0.923 7.432 -3.064 1.00 0.00 C ATOM 741 CG TYR A 52 0.308 7.892 -3.813 1.00 0.00 C ATOM 742 CD1 TYR A 52 1.203 6.974 -4.348 1.00 0.00 C ATOM 743 CD2 TYR A 52 0.575 9.244 -3.986 1.00 0.00 C ATOM 744 CE1 TYR A 52 2.329 7.389 -5.032 1.00 0.00 C ATOM 745 CE2 TYR A 52 1.697 9.669 -4.670 1.00 0.00 C ATOM 746 CZ TYR A 52 2.571 8.738 -5.190 1.00 0.00 C ATOM 747 OH TYR A 52 3.691 9.156 -5.872 1.00 0.00 O ATOM 0 H TYR A 52 -0.755 5.855 -5.376 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.820 6.461 -3.347 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.362 8.284 -2.545 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.626 6.712 -2.301 1.00 0.00 H new ATOM 0 HD1 TYR A 52 1.015 5.917 -4.227 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.107 9.976 -3.578 1.00 0.00 H new ATOM 0 HE1 TYR A 52 3.015 6.662 -5.440 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.889 10.724 -4.797 1.00 0.00 H new ATOM 0 HH TYR A 52 3.713 10.135 -5.895 1.00 0.00 H new ATOM 757 N THR A 53 -3.406 8.686 -4.501 1.00 0.00 N ATOM 758 CA THR A 53 -3.982 9.719 -5.353 1.00 0.00 C ATOM 759 C THR A 53 -4.636 10.816 -4.521 1.00 0.00 C ATOM 760 O THR A 53 -5.176 10.554 -3.446 1.00 0.00 O ATOM 761 CB THR A 53 -5.028 9.131 -6.319 1.00 0.00 C ATOM 762 OG1 THR A 53 -5.392 10.109 -7.300 1.00 0.00 O ATOM 763 CG2 THR A 53 -6.267 8.676 -5.564 1.00 0.00 C ATOM 0 H THR A 53 -3.753 8.688 -3.542 1.00 0.00 H new ATOM 0 HA THR A 53 -3.162 10.145 -5.932 1.00 0.00 H new ATOM 0 HB THR A 53 -4.587 8.266 -6.815 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.056 9.727 -7.912 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.991 8.265 -6.267 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.991 7.911 -4.839 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.709 9.526 -5.044 1.00 0.00 H new ATOM 771 N ILE A 54 -4.583 12.045 -5.025 1.00 0.00 N ATOM 772 CA ILE A 54 -5.172 13.181 -4.328 1.00 0.00 C ATOM 773 C ILE A 54 -6.695 13.131 -4.383 1.00 0.00 C ATOM 774 O ILE A 54 -7.289 13.133 -5.462 1.00 0.00 O ATOM 775 CB ILE A 54 -4.693 14.518 -4.925 1.00 0.00 C ATOM 776 CG1 ILE A 54 -3.240 14.787 -4.526 1.00 0.00 C ATOM 777 CG2 ILE A 54 -5.593 15.655 -4.467 1.00 0.00 C ATOM 778 CD1 ILE A 54 -2.525 15.742 -5.456 1.00 0.00 C ATOM 0 H ILE A 54 -4.138 12.279 -5.913 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.846 13.117 -3.290 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.746 14.454 -6.012 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.219 15.193 -3.515 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.697 13.842 -4.502 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.242 16.593 -4.897 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.615 15.465 -4.796 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.569 15.723 -3.379 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.501 15.886 -5.112 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.515 15.328 -6.464 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.044 16.701 -5.462 1.00 0.00 H new ATOM 790 N PHE A 55 -7.323 13.086 -3.213 1.00 0.00 N ATOM 791 CA PHE A 55 -8.778 13.036 -3.127 1.00 0.00 C ATOM 792 C PHE A 55 -9.357 14.427 -2.886 1.00 0.00 C ATOM 793 O PHE A 55 -9.277 14.963 -1.781 1.00 0.00 O ATOM 794 CB PHE A 55 -9.211 12.090 -2.005 1.00 0.00 C ATOM 795 CG PHE A 55 -10.694 11.856 -1.957 1.00 0.00 C ATOM 796 CD1 PHE A 55 -11.522 12.718 -1.256 1.00 0.00 C ATOM 797 CD2 PHE A 55 -11.260 10.775 -2.614 1.00 0.00 C ATOM 798 CE1 PHE A 55 -12.887 12.504 -1.210 1.00 0.00 C ATOM 799 CE2 PHE A 55 -12.624 10.557 -2.572 1.00 0.00 C ATOM 800 CZ PHE A 55 -13.439 11.424 -1.869 1.00 0.00 C ATOM 0 H PHE A 55 -6.847 13.083 -2.311 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.161 12.662 -4.077 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.704 11.133 -2.131 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -8.885 12.500 -1.049 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -11.096 13.566 -0.740 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -10.628 10.095 -3.165 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -13.522 13.182 -0.658 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -13.052 9.710 -3.088 1.00 0.00 H new ATOM 0 HZ PHE A 55 -14.505 11.257 -1.835 1.00 0.00 H new ATOM 1050 N MET A 72 -1.460 7.359 -8.744 1.00 0.00 N ATOM 1051 CA MET A 72 -0.006 7.256 -8.791 1.00 0.00 C ATOM 1052 C MET A 72 0.452 5.848 -8.425 1.00 0.00 C ATOM 1053 O MET A 72 -0.256 5.116 -7.731 1.00 0.00 O ATOM 1054 CB MET A 72 0.630 8.274 -7.841 1.00 0.00 C ATOM 1055 CG MET A 72 0.926 9.613 -8.496 1.00 0.00 C ATOM 1056 SD MET A 72 -0.515 10.696 -8.547 1.00 0.00 S ATOM 1057 CE MET A 72 -0.533 11.315 -6.867 1.00 0.00 C ATOM 0 HA MET A 72 0.315 7.470 -9.810 1.00 0.00 H new ATOM 0 HB2 MET A 72 -0.036 8.433 -6.993 1.00 0.00 H new ATOM 0 HB3 MET A 72 1.557 7.860 -7.445 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.729 10.109 -7.952 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.285 9.445 -9.511 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.214 12.163 -6.799 1.00 0.00 H new ATOM 0 HE2 MET A 72 -0.866 10.527 -6.192 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.471 11.633 -6.586 1.00 0.00 H new ATOM 1067 N ILE A 73 1.637 5.474 -8.895 1.00 0.00 N ATOM 1068 CA ILE A 73 2.187 4.154 -8.616 1.00 0.00 C ATOM 1069 C ILE A 73 3.692 4.225 -8.375 1.00 0.00 C ATOM 1070 O ILE A 73 4.410 4.937 -9.077 1.00 0.00 O ATOM 1071 CB ILE A 73 1.909 3.173 -9.770 1.00 0.00 C ATOM 1072 CG1 ILE A 73 0.403 3.029 -9.995 1.00 0.00 C ATOM 1073 CG2 ILE A 73 2.538 1.818 -9.477 1.00 0.00 C ATOM 1074 CD1 ILE A 73 -0.166 4.052 -10.953 1.00 0.00 C ATOM 0 H ILE A 73 2.235 6.067 -9.471 1.00 0.00 H new ATOM 0 HA ILE A 73 1.694 3.791 -7.714 1.00 0.00 H new ATOM 0 HB ILE A 73 2.357 3.571 -10.681 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.195 2.030 -10.378 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.109 3.116 -9.037 1.00 0.00 H new ATOM 0 HG21 ILE A 73 2.333 1.136 -10.302 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.616 1.934 -9.362 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.117 1.412 -8.557 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.238 3.889 -11.064 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.010 5.054 -10.562 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.319 3.951 -11.924 1.00 0.00 H new ATOM 1086 N VAL A 74 4.162 3.481 -7.379 1.00 0.00 N ATOM 1087 CA VAL A 74 5.581 3.457 -7.048 1.00 0.00 C ATOM 1088 C VAL A 74 6.071 2.029 -6.831 1.00 0.00 C ATOM 1089 O VAL A 74 6.003 1.484 -5.729 1.00 0.00 O ATOM 1090 CB VAL A 74 5.876 4.287 -5.784 1.00 0.00 C ATOM 1091 CG1 VAL A 74 7.351 4.202 -5.422 1.00 0.00 C ATOM 1092 CG2 VAL A 74 5.450 5.733 -5.985 1.00 0.00 C ATOM 0 H VAL A 74 3.581 2.887 -6.788 1.00 0.00 H new ATOM 0 HA VAL A 74 6.111 3.895 -7.894 1.00 0.00 H new ATOM 0 HB VAL A 74 5.299 3.874 -4.956 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.541 4.794 -4.527 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.620 3.163 -5.233 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.951 4.588 -6.246 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.666 6.305 -5.082 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.998 6.160 -6.825 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.381 5.772 -6.192 1.00 0.00 H new ATOM 1102 N PRO A 75 6.577 1.408 -7.906 1.00 0.00 N ATOM 1103 CA PRO A 75 7.090 0.035 -7.858 1.00 0.00 C ATOM 1104 C PRO A 75 8.387 -0.073 -7.064 1.00 0.00 C ATOM 1105 O PRO A 75 8.853 0.907 -6.483 1.00 0.00 O ATOM 1106 CB PRO A 75 7.336 -0.303 -9.331 1.00 0.00 C ATOM 1107 CG PRO A 75 7.555 1.015 -9.990 1.00 0.00 C ATOM 1108 CD PRO A 75 6.690 1.997 -9.250 1.00 0.00 C ATOM 0 HA PRO A 75 6.395 -0.642 -7.360 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.203 -0.953 -9.449 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.484 -0.826 -9.765 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.604 1.306 -9.942 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.284 0.974 -11.045 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.144 2.987 -9.218 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.714 2.109 -9.723 1.00 0.00 H new ATOM 1116 N ASN A 76 8.965 -1.269 -7.042 1.00 0.00 N ATOM 1117 CA ASN A 76 10.209 -1.504 -6.318 1.00 0.00 C ATOM 1118 C ASN A 76 10.017 -1.282 -4.821 1.00 0.00 C ATOM 1119 O ASN A 76 10.826 -0.617 -4.173 1.00 0.00 O ATOM 1120 CB ASN A 76 11.311 -0.584 -6.844 1.00 0.00 C ATOM 1121 CG ASN A 76 12.070 -1.196 -8.006 1.00 0.00 C ATOM 1122 OD1 ASN A 76 12.975 -2.007 -7.812 1.00 0.00 O ATOM 1123 ND2 ASN A 76 11.703 -0.809 -9.222 1.00 0.00 N ATOM 0 H ASN A 76 8.592 -2.091 -7.517 1.00 0.00 H new ATOM 0 HA ASN A 76 10.504 -2.541 -6.479 1.00 0.00 H new ATOM 0 HB2 ASN A 76 10.871 0.362 -7.159 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.008 -0.358 -6.037 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.177 -1.187 -10.042 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.947 -0.134 -9.336 1.00 0.00 H new ATOM 1130 N ILE A 77 8.941 -1.843 -4.278 1.00 0.00 N ATOM 1131 CA ILE A 77 8.645 -1.707 -2.857 1.00 0.00 C ATOM 1132 C ILE A 77 8.850 -3.028 -2.124 1.00 0.00 C ATOM 1133 O ILE A 77 7.996 -3.914 -2.165 1.00 0.00 O ATOM 1134 CB ILE A 77 7.200 -1.225 -2.627 1.00 0.00 C ATOM 1135 CG1 ILE A 77 6.938 0.062 -3.413 1.00 0.00 C ATOM 1136 CG2 ILE A 77 6.944 -1.009 -1.144 1.00 0.00 C ATOM 1137 CD1 ILE A 77 5.619 0.719 -3.072 1.00 0.00 C ATOM 0 H ILE A 77 8.261 -2.395 -4.800 1.00 0.00 H new ATOM 0 HA ILE A 77 9.336 -0.963 -2.461 1.00 0.00 H new ATOM 0 HB ILE A 77 6.514 -1.993 -2.985 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.747 0.767 -3.220 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.958 -0.162 -4.479 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.919 -0.669 -0.998 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.095 -1.946 -0.608 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.634 -0.257 -0.761 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.500 1.625 -3.666 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.802 0.031 -3.291 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.603 0.975 -2.013 1.00 0.00 H new ATOM 1149 N LYS A 78 9.989 -3.154 -1.451 1.00 0.00 N ATOM 1150 CA LYS A 78 10.308 -4.366 -0.705 1.00 0.00 C ATOM 1151 C LYS A 78 10.272 -4.104 0.797 1.00 0.00 C ATOM 1152 O LYS A 78 11.083 -4.645 1.549 1.00 0.00 O ATOM 1153 CB LYS A 78 11.688 -4.890 -1.109 1.00 0.00 C ATOM 1154 CG LYS A 78 11.807 -5.210 -2.589 1.00 0.00 C ATOM 1155 CD LYS A 78 11.233 -6.579 -2.912 1.00 0.00 C ATOM 1156 CE LYS A 78 11.429 -6.935 -4.377 1.00 0.00 C ATOM 1157 NZ LYS A 78 12.787 -7.488 -4.637 1.00 0.00 N ATOM 0 H LYS A 78 10.707 -2.431 -1.407 1.00 0.00 H new ATOM 0 HA LYS A 78 9.557 -5.119 -0.944 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.441 -4.148 -0.845 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.910 -5.788 -0.533 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.285 -4.449 -3.170 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.855 -5.175 -2.887 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.712 -7.332 -2.286 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.170 -6.595 -2.672 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.676 -7.664 -4.677 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.275 -6.047 -4.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.881 -7.718 -5.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.505 -6.783 -4.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.925 -8.350 -4.071 1.00 0.00 H new ATOM 1171 N GLN A 79 9.326 -3.275 1.226 1.00 0.00 N ATOM 1172 CA GLN A 79 9.185 -2.944 2.640 1.00 0.00 C ATOM 1173 C GLN A 79 7.728 -3.041 3.078 1.00 0.00 C ATOM 1174 O GLN A 79 6.838 -3.272 2.261 1.00 0.00 O ATOM 1175 CB GLN A 79 9.719 -1.537 2.911 1.00 0.00 C ATOM 1176 CG GLN A 79 9.154 -0.480 1.976 1.00 0.00 C ATOM 1177 CD GLN A 79 10.065 0.723 1.835 1.00 0.00 C ATOM 1178 OE1 GLN A 79 11.227 0.687 2.241 1.00 0.00 O ATOM 1179 NE2 GLN A 79 9.542 1.798 1.257 1.00 0.00 N ATOM 0 H GLN A 79 8.646 -2.821 0.616 1.00 0.00 H new ATOM 0 HA GLN A 79 9.767 -3.663 3.216 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.487 -1.261 3.940 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.805 -1.546 2.821 1.00 0.00 H new ATOM 0 HG2 GLN A 79 8.987 -0.922 0.993 1.00 0.00 H new ATOM 0 HG3 GLN A 79 8.183 -0.154 2.348 1.00 0.00 H new ATOM 0 HE21 GLN A 79 8.574 1.784 0.935 1.00 0.00 H new ATOM 0 HE22 GLN A 79 10.108 2.638 1.135 1.00 0.00 H new ATOM 1188 N ASN A 80 7.492 -2.864 4.374 1.00 0.00 N ATOM 1189 CA ASN A 80 6.142 -2.933 4.922 1.00 0.00 C ATOM 1190 C ASN A 80 5.537 -1.538 5.054 1.00 0.00 C ATOM 1191 O ASN A 80 4.383 -1.386 5.455 1.00 0.00 O ATOM 1192 CB ASN A 80 6.157 -3.625 6.286 1.00 0.00 C ATOM 1193 CG ASN A 80 6.571 -5.081 6.191 1.00 0.00 C ATOM 1194 OD1 ASN A 80 7.731 -5.391 5.920 1.00 0.00 O ATOM 1195 ND2 ASN A 80 5.622 -5.982 6.414 1.00 0.00 N ATOM 0 H ASN A 80 8.218 -2.672 5.064 1.00 0.00 H new ATOM 0 HA ASN A 80 5.527 -3.514 4.234 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.842 -3.098 6.950 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.165 -3.560 6.734 1.00 0.00 H new ATOM 0 HD21 ASN A 80 5.841 -6.977 6.364 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.673 -5.679 6.636 1.00 0.00 H new ATOM 1202 N HIS A 81 6.324 -0.523 4.713 1.00 0.00 N ATOM 1203 CA HIS A 81 5.866 0.860 4.792 1.00 0.00 C ATOM 1204 C HIS A 81 6.703 1.762 3.890 1.00 0.00 C ATOM 1205 O HIS A 81 7.924 1.837 4.032 1.00 0.00 O ATOM 1206 CB HIS A 81 5.932 1.360 6.235 1.00 0.00 C ATOM 1207 CG HIS A 81 7.151 0.899 6.974 1.00 0.00 C ATOM 1208 ND1 HIS A 81 7.115 -0.071 7.954 1.00 0.00 N ATOM 1209 CD2 HIS A 81 8.446 1.279 6.869 1.00 0.00 C ATOM 1210 CE1 HIS A 81 8.335 -0.265 8.422 1.00 0.00 C ATOM 1211 NE2 HIS A 81 9.161 0.541 7.779 1.00 0.00 N ATOM 0 H HIS A 81 7.282 -0.632 4.379 1.00 0.00 H new ATOM 0 HA HIS A 81 4.831 0.894 4.451 1.00 0.00 H new ATOM 0 HB2 HIS A 81 5.908 2.450 6.235 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.044 1.022 6.769 1.00 0.00 H new ATOM 0 HD2 HIS A 81 8.843 2.024 6.195 1.00 0.00 H new ATOM 0 HE1 HIS A 81 8.610 -0.964 9.198 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.167 0.605 7.934 1.00 0.00 H new ATOM 1220 N TYR A 82 6.039 2.443 2.963 1.00 0.00 N ATOM 1221 CA TYR A 82 6.722 3.338 2.036 1.00 0.00 C ATOM 1222 C TYR A 82 6.294 4.785 2.260 1.00 0.00 C ATOM 1223 O TYR A 82 5.106 5.107 2.224 1.00 0.00 O ATOM 1224 CB TYR A 82 6.433 2.927 0.591 1.00 0.00 C ATOM 1225 CG TYR A 82 7.150 3.775 -0.434 1.00 0.00 C ATOM 1226 CD1 TYR A 82 6.702 5.054 -0.742 1.00 0.00 C ATOM 1227 CD2 TYR A 82 8.274 3.297 -1.097 1.00 0.00 C ATOM 1228 CE1 TYR A 82 7.354 5.833 -1.679 1.00 0.00 C ATOM 1229 CE2 TYR A 82 8.932 4.070 -2.035 1.00 0.00 C ATOM 1230 CZ TYR A 82 8.468 5.336 -2.322 1.00 0.00 C ATOM 1231 OH TYR A 82 9.120 6.108 -3.256 1.00 0.00 O ATOM 0 H TYR A 82 5.029 2.393 2.833 1.00 0.00 H new ATOM 0 HA TYR A 82 7.793 3.262 2.221 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.721 1.885 0.454 1.00 0.00 H new ATOM 0 HB3 TYR A 82 5.359 2.987 0.413 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.829 5.446 -0.241 1.00 0.00 H new ATOM 0 HD2 TYR A 82 8.639 2.305 -0.876 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.993 6.825 -1.906 1.00 0.00 H new ATOM 0 HE2 TYR A 82 9.805 3.684 -2.540 1.00 0.00 H new ATOM 0 HH TYR A 82 9.885 5.611 -3.615 1.00 0.00 H new ATOM 1241 N THR A 83 7.272 5.656 2.491 1.00 0.00 N ATOM 1242 CA THR A 83 6.999 7.068 2.722 1.00 0.00 C ATOM 1243 C THR A 83 6.942 7.839 1.408 1.00 0.00 C ATOM 1244 O THR A 83 7.925 7.900 0.669 1.00 0.00 O ATOM 1245 CB THR A 83 8.066 7.706 3.631 1.00 0.00 C ATOM 1246 OG1 THR A 83 8.053 7.075 4.917 1.00 0.00 O ATOM 1247 CG2 THR A 83 7.820 9.198 3.790 1.00 0.00 C ATOM 0 H THR A 83 8.261 5.407 2.523 1.00 0.00 H new ATOM 0 HA THR A 83 6.029 7.125 3.217 1.00 0.00 H new ATOM 0 HB THR A 83 9.041 7.563 3.166 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.735 7.485 5.489 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.586 9.626 4.436 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.859 9.679 2.813 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.838 9.359 4.235 1.00 0.00 H new ATOM 1255 N VAL A 84 5.785 8.427 1.121 1.00 0.00 N ATOM 1256 CA VAL A 84 5.601 9.196 -0.104 1.00 0.00 C ATOM 1257 C VAL A 84 5.911 10.671 0.121 1.00 0.00 C ATOM 1258 O VAL A 84 5.273 11.334 0.941 1.00 0.00 O ATOM 1259 CB VAL A 84 4.163 9.062 -0.640 1.00 0.00 C ATOM 1260 CG1 VAL A 84 3.977 9.908 -1.890 1.00 0.00 C ATOM 1261 CG2 VAL A 84 3.834 7.603 -0.920 1.00 0.00 C ATOM 0 H VAL A 84 4.961 8.385 1.720 1.00 0.00 H new ATOM 0 HA VAL A 84 6.295 8.790 -0.840 1.00 0.00 H new ATOM 0 HB VAL A 84 3.474 9.427 0.122 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.955 9.800 -2.254 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.169 10.954 -1.653 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.673 9.577 -2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.815 7.526 -1.298 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.527 7.210 -1.664 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.924 7.027 0.001 1.00 0.00 H new ATOM 1271 N HIS A 85 6.896 11.182 -0.611 1.00 0.00 N ATOM 1272 CA HIS A 85 7.292 12.581 -0.493 1.00 0.00 C ATOM 1273 C HIS A 85 6.787 13.391 -1.683 1.00 0.00 C ATOM 1274 O HIS A 85 6.725 12.891 -2.805 1.00 0.00 O ATOM 1275 CB HIS A 85 8.813 12.696 -0.391 1.00 0.00 C ATOM 1276 CG HIS A 85 9.340 12.464 0.992 1.00 0.00 C ATOM 1277 ND1 HIS A 85 9.715 13.487 1.836 1.00 0.00 N ATOM 1278 CD2 HIS A 85 9.551 11.316 1.678 1.00 0.00 C ATOM 1279 CE1 HIS A 85 10.137 12.979 2.980 1.00 0.00 C ATOM 1280 NE2 HIS A 85 10.046 11.663 2.911 1.00 0.00 N ATOM 0 H HIS A 85 7.435 10.648 -1.293 1.00 0.00 H new ATOM 0 HA HIS A 85 6.843 12.984 0.415 1.00 0.00 H new ATOM 0 HB2 HIS A 85 9.270 11.976 -1.070 1.00 0.00 H new ATOM 0 HB3 HIS A 85 9.117 13.688 -0.725 1.00 0.00 H new ATOM 0 HD2 HIS A 85 9.365 10.314 1.322 1.00 0.00 H new ATOM 0 HE1 HIS A 85 10.496 13.544 3.828 1.00 0.00 H new ATOM 0 HE2 HIS A 85 10.302 11.011 3.653 1.00 0.00 H new ATOM 1289 N GLY A 86 6.427 14.645 -1.429 1.00 0.00 N ATOM 1290 CA GLY A 86 5.931 15.504 -2.490 1.00 0.00 C ATOM 1291 C GLY A 86 4.418 15.577 -2.517 1.00 0.00 C ATOM 1292 O GLY A 86 3.802 15.468 -3.578 1.00 0.00 O ATOM 0 H GLY A 86 6.470 15.082 -0.508 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.338 16.507 -2.361 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.291 15.135 -3.450 1.00 0.00 H new ATOM 1296 N LEU A 87 3.815 15.760 -1.347 1.00 0.00 N ATOM 1297 CA LEU A 87 2.362 15.846 -1.240 1.00 0.00 C ATOM 1298 C LEU A 87 1.927 17.258 -0.863 1.00 0.00 C ATOM 1299 O LEU A 87 2.760 18.135 -0.639 1.00 0.00 O ATOM 1300 CB LEU A 87 1.848 14.846 -0.203 1.00 0.00 C ATOM 1301 CG LEU A 87 2.231 13.384 -0.432 1.00 0.00 C ATOM 1302 CD1 LEU A 87 2.165 12.604 0.872 1.00 0.00 C ATOM 1303 CD2 LEU A 87 1.324 12.753 -1.479 1.00 0.00 C ATOM 0 H LEU A 87 4.309 15.852 -0.459 1.00 0.00 H new ATOM 0 HA LEU A 87 1.935 15.602 -2.213 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.217 15.148 0.777 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.761 14.915 -0.169 1.00 0.00 H new ATOM 0 HG LEU A 87 3.256 13.351 -0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.441 11.565 0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.856 13.041 1.593 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.151 12.645 1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.611 11.712 -1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.289 12.799 -1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.421 13.296 -2.419 1.00 0.00 H new ATOM 1315 N GLN A 88 0.616 17.468 -0.792 1.00 0.00 N ATOM 1316 CA GLN A 88 0.071 18.774 -0.440 1.00 0.00 C ATOM 1317 C GLN A 88 -0.421 18.787 1.004 1.00 0.00 C ATOM 1318 O GLN A 88 -1.006 17.813 1.479 1.00 0.00 O ATOM 1319 CB GLN A 88 -1.074 19.144 -1.384 1.00 0.00 C ATOM 1320 CG GLN A 88 -0.740 18.941 -2.854 1.00 0.00 C ATOM 1321 CD GLN A 88 0.503 19.698 -3.279 1.00 0.00 C ATOM 1322 OE1 GLN A 88 0.716 20.842 -2.876 1.00 0.00 O ATOM 1323 NE2 GLN A 88 1.332 19.061 -4.098 1.00 0.00 N ATOM 0 H GLN A 88 -0.087 16.752 -0.973 1.00 0.00 H new ATOM 0 HA GLN A 88 0.868 19.511 -0.540 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.949 18.545 -1.133 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.345 20.187 -1.222 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.597 17.878 -3.047 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.584 19.265 -3.463 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.116 18.113 -4.407 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.185 19.520 -4.418 1.00 0.00 H new ATOM 1332 N SER A 89 -0.180 19.895 1.697 1.00 0.00 N ATOM 1333 CA SER A 89 -0.595 20.033 3.088 1.00 0.00 C ATOM 1334 C SER A 89 -2.089 20.328 3.182 1.00 0.00 C ATOM 1335 O SER A 89 -2.649 21.028 2.340 1.00 0.00 O ATOM 1336 CB SER A 89 0.201 21.146 3.771 1.00 0.00 C ATOM 1337 OG SER A 89 1.493 21.273 3.203 1.00 0.00 O ATOM 0 H SER A 89 0.301 20.711 1.318 1.00 0.00 H new ATOM 0 HA SER A 89 -0.396 19.090 3.597 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.335 22.090 3.677 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.288 20.933 4.836 1.00 0.00 H new ATOM 0 HG SER A 89 1.876 20.383 3.060 1.00 0.00 H new ATOM 1343 N GLY A 90 -2.728 19.788 4.215 1.00 0.00 N ATOM 1344 CA GLY A 90 -4.151 20.004 4.402 1.00 0.00 C ATOM 1345 C GLY A 90 -4.975 19.476 3.244 1.00 0.00 C ATOM 1346 O GLY A 90 -5.905 20.137 2.781 1.00 0.00 O ATOM 0 H GLY A 90 -2.286 19.205 4.926 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.471 19.517 5.323 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.341 21.071 4.522 1.00 0.00 H new ATOM 1350 N THR A 91 -4.632 18.281 2.773 1.00 0.00 N ATOM 1351 CA THR A 91 -5.345 17.665 1.660 1.00 0.00 C ATOM 1352 C THR A 91 -5.499 16.163 1.869 1.00 0.00 C ATOM 1353 O THR A 91 -4.612 15.509 2.418 1.00 0.00 O ATOM 1354 CB THR A 91 -4.621 17.915 0.323 1.00 0.00 C ATOM 1355 OG1 THR A 91 -4.406 19.318 0.137 1.00 0.00 O ATOM 1356 CG2 THR A 91 -5.429 17.361 -0.841 1.00 0.00 C ATOM 0 H THR A 91 -3.865 17.721 3.145 1.00 0.00 H new ATOM 0 HA THR A 91 -6.332 18.126 1.622 1.00 0.00 H new ATOM 0 HB THR A 91 -3.660 17.402 0.354 1.00 0.00 H new ATOM 0 HG1 THR A 91 -3.944 19.468 -0.714 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.898 17.549 -1.774 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.565 16.287 -0.711 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.403 17.849 -0.873 1.00 0.00 H new ATOM 1364 N ARG A 92 -6.630 15.622 1.428 1.00 0.00 N ATOM 1365 CA ARG A 92 -6.900 14.196 1.567 1.00 0.00 C ATOM 1366 C ARG A 92 -6.028 13.382 0.615 1.00 0.00 C ATOM 1367 O ARG A 92 -5.662 13.852 -0.463 1.00 0.00 O ATOM 1368 CB ARG A 92 -8.377 13.907 1.297 1.00 0.00 C ATOM 1369 CG ARG A 92 -9.285 14.227 2.473 1.00 0.00 C ATOM 1370 CD ARG A 92 -10.677 13.648 2.277 1.00 0.00 C ATOM 1371 NE ARG A 92 -11.668 14.303 3.126 1.00 0.00 N ATOM 1372 CZ ARG A 92 -11.701 14.177 4.448 1.00 0.00 C ATOM 1373 NH1 ARG A 92 -10.802 13.425 5.068 1.00 0.00 N ATOM 1374 NH2 ARG A 92 -12.634 14.805 5.153 1.00 0.00 N ATOM 0 H ARG A 92 -7.374 16.150 0.971 1.00 0.00 H new ATOM 0 HA ARG A 92 -6.661 13.904 2.590 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -8.700 14.486 0.432 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.491 12.855 1.037 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -8.850 13.828 3.389 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -9.354 15.308 2.597 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.969 13.753 1.232 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.660 12.581 2.498 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.373 14.889 2.680 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -10.083 12.942 4.530 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -10.829 13.330 6.083 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.327 15.385 4.680 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -12.658 14.707 6.168 1.00 0.00 H new ATOM 1388 N TYR A 93 -5.701 12.160 1.019 1.00 0.00 N ATOM 1389 CA TYR A 93 -4.871 11.282 0.204 1.00 0.00 C ATOM 1390 C TYR A 93 -5.229 9.818 0.441 1.00 0.00 C ATOM 1391 O TYR A 93 -5.059 9.297 1.544 1.00 0.00 O ATOM 1392 CB TYR A 93 -3.390 11.512 0.514 1.00 0.00 C ATOM 1393 CG TYR A 93 -2.754 12.587 -0.339 1.00 0.00 C ATOM 1394 CD1 TYR A 93 -2.192 12.281 -1.572 1.00 0.00 C ATOM 1395 CD2 TYR A 93 -2.714 13.908 0.089 1.00 0.00 C ATOM 1396 CE1 TYR A 93 -1.609 13.260 -2.354 1.00 0.00 C ATOM 1397 CE2 TYR A 93 -2.134 14.894 -0.686 1.00 0.00 C ATOM 1398 CZ TYR A 93 -1.583 14.564 -1.907 1.00 0.00 C ATOM 1399 OH TYR A 93 -1.004 15.542 -2.683 1.00 0.00 O ATOM 0 H TYR A 93 -5.998 11.755 1.907 1.00 0.00 H new ATOM 0 HA TYR A 93 -5.058 11.518 -0.844 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -3.285 11.783 1.564 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.848 10.577 0.371 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.211 11.261 -1.925 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -3.144 14.169 1.045 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -1.176 13.005 -3.310 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.112 15.916 -0.338 1.00 0.00 H new ATOM 0 HH TYR A 93 -0.284 15.150 -3.220 1.00 0.00 H new ATOM 1409 N ILE A 94 -5.726 9.161 -0.602 1.00 0.00 N ATOM 1410 CA ILE A 94 -6.107 7.758 -0.508 1.00 0.00 C ATOM 1411 C ILE A 94 -4.939 6.846 -0.866 1.00 0.00 C ATOM 1412 O ILE A 94 -4.139 7.160 -1.748 1.00 0.00 O ATOM 1413 CB ILE A 94 -7.297 7.435 -1.432 1.00 0.00 C ATOM 1414 CG1 ILE A 94 -8.560 8.146 -0.941 1.00 0.00 C ATOM 1415 CG2 ILE A 94 -7.521 5.932 -1.501 1.00 0.00 C ATOM 1416 CD1 ILE A 94 -9.752 7.958 -1.852 1.00 0.00 C ATOM 0 H ILE A 94 -5.874 9.578 -1.521 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.401 7.579 0.526 1.00 0.00 H new ATOM 0 HB ILE A 94 -7.067 7.795 -2.435 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.811 7.777 0.053 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -8.352 9.212 -0.843 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -8.365 5.720 -2.157 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.626 5.448 -1.892 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -7.733 5.549 -0.503 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -10.611 8.489 -1.442 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.520 8.353 -2.841 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.986 6.896 -1.931 1.00 0.00 H new ATOM 1428 N PHE A 95 -4.846 5.714 -0.176 1.00 0.00 N ATOM 1429 CA PHE A 95 -3.776 4.754 -0.421 1.00 0.00 C ATOM 1430 C PHE A 95 -4.334 3.341 -0.565 1.00 0.00 C ATOM 1431 O PHE A 95 -5.272 2.959 0.135 1.00 0.00 O ATOM 1432 CB PHE A 95 -2.753 4.798 0.717 1.00 0.00 C ATOM 1433 CG PHE A 95 -2.015 6.102 0.810 1.00 0.00 C ATOM 1434 CD1 PHE A 95 -0.861 6.314 0.073 1.00 0.00 C ATOM 1435 CD2 PHE A 95 -2.475 7.116 1.634 1.00 0.00 C ATOM 1436 CE1 PHE A 95 -0.179 7.513 0.157 1.00 0.00 C ATOM 1437 CE2 PHE A 95 -1.797 8.318 1.723 1.00 0.00 C ATOM 1438 CZ PHE A 95 -0.648 8.517 0.982 1.00 0.00 C ATOM 0 H PHE A 95 -5.499 5.439 0.558 1.00 0.00 H new ATOM 0 HA PHE A 95 -3.283 5.027 -1.354 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.264 4.611 1.661 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.033 3.991 0.579 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -0.490 5.533 -0.575 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -3.374 6.966 2.214 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.720 7.665 -0.422 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -2.165 9.100 2.371 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.118 9.455 1.048 1.00 0.00 H new ATOM 1448 N ILE A 96 -3.750 2.571 -1.476 1.00 0.00 N ATOM 1449 CA ILE A 96 -4.188 1.201 -1.712 1.00 0.00 C ATOM 1450 C ILE A 96 -3.009 0.300 -2.063 1.00 0.00 C ATOM 1451 O ILE A 96 -2.440 0.399 -3.150 1.00 0.00 O ATOM 1452 CB ILE A 96 -5.229 1.130 -2.845 1.00 0.00 C ATOM 1453 CG1 ILE A 96 -6.539 1.786 -2.404 1.00 0.00 C ATOM 1454 CG2 ILE A 96 -5.466 -0.315 -3.256 1.00 0.00 C ATOM 1455 CD1 ILE A 96 -7.492 2.059 -3.547 1.00 0.00 C ATOM 0 H ILE A 96 -2.972 2.872 -2.063 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.646 0.852 -0.786 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.844 1.674 -3.708 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.032 1.141 -1.676 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.314 2.724 -1.897 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -6.204 -0.349 -4.057 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.531 -0.752 -3.605 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.834 -0.881 -2.400 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -8.399 2.524 -3.161 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.017 2.729 -4.264 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.747 1.121 -4.040 1.00 0.00 H new ATOM 1467 N VAL A 97 -2.648 -0.581 -1.135 1.00 0.00 N ATOM 1468 CA VAL A 97 -1.538 -1.503 -1.347 1.00 0.00 C ATOM 1469 C VAL A 97 -1.988 -2.734 -2.126 1.00 0.00 C ATOM 1470 O VAL A 97 -2.885 -3.460 -1.698 1.00 0.00 O ATOM 1471 CB VAL A 97 -0.919 -1.953 -0.010 1.00 0.00 C ATOM 1472 CG1 VAL A 97 0.173 -2.985 -0.248 1.00 0.00 C ATOM 1473 CG2 VAL A 97 -0.375 -0.755 0.754 1.00 0.00 C ATOM 0 H VAL A 97 -3.108 -0.676 -0.229 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.786 -0.966 -1.924 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.698 -2.417 0.594 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.599 -3.291 0.708 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.251 -3.854 -0.751 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.955 -2.550 -0.871 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.059 -1.091 1.696 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.392 -0.261 0.157 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.185 -0.054 0.957 1.00 0.00 H new ATOM 1483 N LYS A 98 -1.358 -2.964 -3.273 1.00 0.00 N ATOM 1484 CA LYS A 98 -1.690 -4.108 -4.113 1.00 0.00 C ATOM 1485 C LYS A 98 -0.500 -5.054 -4.241 1.00 0.00 C ATOM 1486 O LYS A 98 0.502 -4.723 -4.873 1.00 0.00 O ATOM 1487 CB LYS A 98 -2.132 -3.638 -5.500 1.00 0.00 C ATOM 1488 CG LYS A 98 -2.332 -4.770 -6.492 1.00 0.00 C ATOM 1489 CD LYS A 98 -2.954 -4.275 -7.787 1.00 0.00 C ATOM 1490 CE LYS A 98 -1.896 -3.776 -8.759 1.00 0.00 C ATOM 1491 NZ LYS A 98 -2.500 -3.256 -10.017 1.00 0.00 N ATOM 0 H LYS A 98 -0.614 -2.372 -3.642 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.511 -4.647 -3.640 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.064 -3.081 -5.405 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.386 -2.948 -5.895 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.373 -5.241 -6.705 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.971 -5.534 -6.049 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.523 -5.081 -8.250 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.658 -3.472 -7.570 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.310 -2.989 -8.285 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.208 -4.588 -8.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.747 -2.926 -10.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.039 -4.014 -10.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.137 -2.465 -9.795 1.00 0.00 H new ATOM 1505 N ALA A 99 -0.619 -6.232 -3.637 1.00 0.00 N ATOM 1506 CA ALA A 99 0.446 -7.226 -3.687 1.00 0.00 C ATOM 1507 C ALA A 99 0.474 -7.933 -5.038 1.00 0.00 C ATOM 1508 O ALA A 99 -0.568 -8.318 -5.569 1.00 0.00 O ATOM 1509 CB ALA A 99 0.277 -8.237 -2.563 1.00 0.00 C ATOM 0 H ALA A 99 -1.442 -6.521 -3.108 1.00 0.00 H new ATOM 0 HA ALA A 99 1.397 -6.710 -3.557 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.079 -8.973 -2.612 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.315 -7.723 -1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.684 -8.740 -2.668 1.00 0.00 H new ATOM 1515 N ILE A 100 1.672 -8.101 -5.588 1.00 0.00 N ATOM 1516 CA ILE A 100 1.835 -8.763 -6.876 1.00 0.00 C ATOM 1517 C ILE A 100 2.691 -10.018 -6.746 1.00 0.00 C ATOM 1518 O ILE A 100 3.738 -10.003 -6.099 1.00 0.00 O ATOM 1519 CB ILE A 100 2.475 -7.823 -7.915 1.00 0.00 C ATOM 1520 CG1 ILE A 100 1.653 -6.540 -8.049 1.00 0.00 C ATOM 1521 CG2 ILE A 100 2.597 -8.524 -9.260 1.00 0.00 C ATOM 1522 CD1 ILE A 100 2.074 -5.449 -7.091 1.00 0.00 C ATOM 0 H ILE A 100 2.544 -7.788 -5.161 1.00 0.00 H new ATOM 0 HA ILE A 100 0.837 -9.041 -7.216 1.00 0.00 H new ATOM 0 HB ILE A 100 3.476 -7.557 -7.574 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.739 -6.168 -9.070 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.601 -6.773 -7.882 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.051 -7.847 -9.983 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.221 -9.411 -9.153 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.607 -8.817 -9.609 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.448 -4.570 -7.243 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.962 -5.802 -6.066 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.117 -5.188 -7.273 1.00 0.00 H new ATOM 1534 N ASN A 101 2.240 -11.103 -7.367 1.00 0.00 N ATOM 1535 CA ASN A 101 2.966 -12.367 -7.321 1.00 0.00 C ATOM 1536 C ASN A 101 2.916 -13.072 -8.673 1.00 0.00 C ATOM 1537 O ASN A 101 2.391 -12.531 -9.647 1.00 0.00 O ATOM 1538 CB ASN A 101 2.382 -13.276 -6.238 1.00 0.00 C ATOM 1539 CG ASN A 101 1.021 -13.826 -6.617 1.00 0.00 C ATOM 1540 OD1 ASN A 101 0.597 -13.725 -7.768 1.00 0.00 O ATOM 1541 ND2 ASN A 101 0.330 -14.413 -5.647 1.00 0.00 N ATOM 0 H ASN A 101 1.376 -11.132 -7.908 1.00 0.00 H new ATOM 0 HA ASN A 101 4.007 -12.151 -7.082 1.00 0.00 H new ATOM 0 HB2 ASN A 101 3.067 -14.104 -6.054 1.00 0.00 H new ATOM 0 HB3 ASN A 101 2.299 -12.718 -5.305 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -0.592 -14.803 -5.842 1.00 0.00 H new ATOM 0 HD22 ASN A 101 0.721 -14.474 -4.707 1.00 0.00 H new ATOM 1548 N GLN A 102 3.464 -14.282 -8.725 1.00 0.00 N ATOM 1549 CA GLN A 102 3.481 -15.060 -9.957 1.00 0.00 C ATOM 1550 C GLN A 102 2.067 -15.281 -10.482 1.00 0.00 C ATOM 1551 O GLN A 102 1.838 -15.297 -11.691 1.00 0.00 O ATOM 1552 CB GLN A 102 4.167 -16.408 -9.724 1.00 0.00 C ATOM 1553 CG GLN A 102 3.744 -17.484 -10.711 1.00 0.00 C ATOM 1554 CD GLN A 102 4.193 -17.187 -12.128 1.00 0.00 C ATOM 1555 OE1 GLN A 102 5.383 -17.245 -12.439 1.00 0.00 O ATOM 1556 NE2 GLN A 102 3.241 -16.866 -12.996 1.00 0.00 N ATOM 0 H GLN A 102 3.902 -14.744 -7.928 1.00 0.00 H new ATOM 0 HA GLN A 102 4.042 -14.498 -10.704 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.247 -16.273 -9.787 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.947 -16.748 -8.712 1.00 0.00 H new ATOM 0 HG2 GLN A 102 4.157 -18.442 -10.397 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.659 -17.583 -10.691 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.267 -16.830 -12.695 1.00 0.00 H new ATOM 0 HE22 GLN A 102 3.483 -16.655 -13.964 1.00 0.00 H new ATOM 1565 N ALA A 103 1.120 -15.450 -9.565 1.00 0.00 N ATOM 1566 CA ALA A 103 -0.273 -15.668 -9.935 1.00 0.00 C ATOM 1567 C ALA A 103 -0.886 -14.405 -10.531 1.00 0.00 C ATOM 1568 O ALA A 103 -1.133 -14.331 -11.734 1.00 0.00 O ATOM 1569 CB ALA A 103 -1.075 -16.127 -8.726 1.00 0.00 C ATOM 0 H ALA A 103 1.292 -15.440 -8.560 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.304 -16.449 -10.695 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.113 -16.286 -9.017 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.658 -17.059 -8.345 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.029 -15.365 -7.948 1.00 0.00 H new ATOM 1575 N GLY A 104 -1.130 -13.413 -9.680 1.00 0.00 N ATOM 1576 CA GLY A 104 -1.714 -12.167 -10.142 1.00 0.00 C ATOM 1577 C GLY A 104 -1.459 -11.018 -9.186 1.00 0.00 C ATOM 1578 O GLY A 104 -0.337 -10.830 -8.717 1.00 0.00 O ATOM 0 H GLY A 104 -0.934 -13.450 -8.680 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -1.305 -11.919 -11.121 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.789 -12.298 -10.269 1.00 0.00 H new ATOM 1582 N SER A 105 -2.502 -10.247 -8.898 1.00 0.00 N ATOM 1583 CA SER A 105 -2.385 -9.107 -7.997 1.00 0.00 C ATOM 1584 C SER A 105 -3.633 -8.969 -7.130 1.00 0.00 C ATOM 1585 O SER A 105 -4.734 -9.331 -7.546 1.00 0.00 O ATOM 1586 CB SER A 105 -2.158 -7.821 -8.794 1.00 0.00 C ATOM 1587 OG SER A 105 -3.267 -7.537 -9.629 1.00 0.00 O ATOM 0 H SER A 105 -3.438 -10.391 -9.276 1.00 0.00 H new ATOM 0 HA SER A 105 -1.528 -9.277 -7.345 1.00 0.00 H new ATOM 0 HB2 SER A 105 -1.992 -6.989 -8.109 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.258 -7.919 -9.401 1.00 0.00 H new ATOM 0 HG SER A 105 -3.098 -6.710 -10.127 1.00 0.00 H new ATOM 1593 N ARG A 106 -3.452 -8.442 -5.923 1.00 0.00 N ATOM 1594 CA ARG A 106 -4.563 -8.256 -4.997 1.00 0.00 C ATOM 1595 C ARG A 106 -4.580 -6.833 -4.447 1.00 0.00 C ATOM 1596 O ARG A 106 -3.743 -6.466 -3.623 1.00 0.00 O ATOM 1597 CB ARG A 106 -4.467 -9.259 -3.845 1.00 0.00 C ATOM 1598 CG ARG A 106 -5.734 -9.352 -3.011 1.00 0.00 C ATOM 1599 CD ARG A 106 -6.732 -10.323 -3.621 1.00 0.00 C ATOM 1600 NE ARG A 106 -8.008 -10.317 -2.910 1.00 0.00 N ATOM 1601 CZ ARG A 106 -8.850 -9.290 -2.922 1.00 0.00 C ATOM 1602 NH1 ARG A 106 -8.554 -8.193 -3.605 1.00 0.00 N ATOM 1603 NH2 ARG A 106 -9.992 -9.360 -2.249 1.00 0.00 N ATOM 0 H ARG A 106 -2.547 -8.137 -5.564 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.491 -8.427 -5.543 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -4.236 -10.244 -4.250 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.636 -8.978 -3.198 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -5.483 -9.674 -2.000 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -6.189 -8.365 -2.928 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -6.898 -10.062 -4.666 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -6.314 -11.329 -3.606 1.00 0.00 H new ATOM 0 HE ARG A 106 -8.266 -11.146 -2.375 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -7.677 -8.136 -4.123 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -9.203 -7.406 -3.612 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -10.223 -10.203 -1.723 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -10.639 -8.571 -2.258 1.00 0.00 H new ATOM 1617 N ASN A 107 -5.538 -6.037 -4.909 1.00 0.00 N ATOM 1618 CA ASN A 107 -5.663 -4.654 -4.464 1.00 0.00 C ATOM 1619 C ASN A 107 -6.428 -4.573 -3.146 1.00 0.00 C ATOM 1620 O ASN A 107 -7.490 -5.177 -2.995 1.00 0.00 O ATOM 1621 CB ASN A 107 -6.372 -3.816 -5.530 1.00 0.00 C ATOM 1622 CG ASN A 107 -7.183 -2.683 -4.930 1.00 0.00 C ATOM 1623 OD1 ASN A 107 -6.868 -1.509 -5.125 1.00 0.00 O ATOM 1624 ND2 ASN A 107 -8.232 -3.031 -4.194 1.00 0.00 N ATOM 0 H ASN A 107 -6.239 -6.326 -5.591 1.00 0.00 H new ATOM 0 HA ASN A 107 -4.660 -4.257 -4.306 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -5.632 -3.405 -6.217 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.029 -4.459 -6.116 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -8.814 -2.312 -3.764 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -8.456 -4.017 -4.059 1.00 0.00 H new ATOM 1631 N SER A 108 -5.880 -3.823 -2.195 1.00 0.00 N ATOM 1632 CA SER A 108 -6.508 -3.666 -0.889 1.00 0.00 C ATOM 1633 C SER A 108 -7.544 -2.546 -0.915 1.00 0.00 C ATOM 1634 O SER A 108 -7.737 -1.890 -1.938 1.00 0.00 O ATOM 1635 CB SER A 108 -5.451 -3.373 0.177 1.00 0.00 C ATOM 1636 OG SER A 108 -4.835 -2.117 -0.047 1.00 0.00 O ATOM 0 H SER A 108 -5.002 -3.315 -2.305 1.00 0.00 H new ATOM 0 HA SER A 108 -7.014 -4.600 -0.642 1.00 0.00 H new ATOM 0 HB2 SER A 108 -5.913 -3.384 1.164 1.00 0.00 H new ATOM 0 HB3 SER A 108 -4.695 -4.159 0.170 1.00 0.00 H new ATOM 0 HG SER A 108 -5.424 -1.402 0.272 1.00 0.00 H new ATOM 1642 N GLU A 109 -8.207 -2.334 0.217 1.00 0.00 N ATOM 1643 CA GLU A 109 -9.223 -1.294 0.324 1.00 0.00 C ATOM 1644 C GLU A 109 -8.581 0.089 0.401 1.00 0.00 C ATOM 1645 O GLU A 109 -7.462 0.255 0.887 1.00 0.00 O ATOM 1646 CB GLU A 109 -10.100 -1.531 1.555 1.00 0.00 C ATOM 1647 CG GLU A 109 -10.994 -2.754 1.440 1.00 0.00 C ATOM 1648 CD GLU A 109 -12.332 -2.440 0.800 1.00 0.00 C ATOM 1649 OE1 GLU A 109 -12.376 -2.285 -0.438 1.00 0.00 O ATOM 1650 OE2 GLU A 109 -13.335 -2.350 1.538 1.00 0.00 O ATOM 0 H GLU A 109 -8.059 -2.869 1.073 1.00 0.00 H new ATOM 0 HA GLU A 109 -9.845 -1.337 -0.570 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -9.460 -1.640 2.431 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -10.722 -0.651 1.722 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -10.485 -3.518 0.852 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -11.160 -3.173 2.433 1.00 0.00 H new ATOM 1657 N PRO A 110 -9.306 1.105 -0.089 1.00 0.00 N ATOM 1658 CA PRO A 110 -8.828 2.491 -0.088 1.00 0.00 C ATOM 1659 C PRO A 110 -8.769 3.082 1.317 1.00 0.00 C ATOM 1660 O PRO A 110 -9.793 3.223 1.986 1.00 0.00 O ATOM 1661 CB PRO A 110 -9.870 3.227 -0.934 1.00 0.00 C ATOM 1662 CG PRO A 110 -11.107 2.406 -0.809 1.00 0.00 C ATOM 1663 CD PRO A 110 -10.647 0.980 -0.683 1.00 0.00 C ATOM 0 HA PRO A 110 -7.812 2.572 -0.474 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -10.030 4.242 -0.570 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.551 3.307 -1.973 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -11.689 2.707 0.062 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -11.749 2.533 -1.680 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -11.315 0.397 -0.049 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -10.612 0.482 -1.652 1.00 0.00 H new ATOM 1671 N THR A 111 -7.563 3.427 1.759 1.00 0.00 N ATOM 1672 CA THR A 111 -7.370 4.002 3.084 1.00 0.00 C ATOM 1673 C THR A 111 -7.315 5.524 3.020 1.00 0.00 C ATOM 1674 O THR A 111 -6.334 6.099 2.547 1.00 0.00 O ATOM 1675 CB THR A 111 -6.079 3.480 3.741 1.00 0.00 C ATOM 1676 OG1 THR A 111 -6.183 2.071 3.974 1.00 0.00 O ATOM 1677 CG2 THR A 111 -5.812 4.198 5.055 1.00 0.00 C ATOM 0 H THR A 111 -6.705 3.318 1.218 1.00 0.00 H new ATOM 0 HA THR A 111 -8.225 3.697 3.688 1.00 0.00 H new ATOM 0 HB THR A 111 -5.248 3.675 3.063 1.00 0.00 H new ATOM 0 HG1 THR A 111 -6.091 1.890 4.933 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.895 3.812 5.501 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.704 5.267 4.870 1.00 0.00 H new ATOM 0 HG23 THR A 111 -6.645 4.030 5.737 1.00 0.00 H new ATOM 1685 N ARG A 112 -8.372 6.171 3.498 1.00 0.00 N ATOM 1686 CA ARG A 112 -8.443 7.628 3.494 1.00 0.00 C ATOM 1687 C ARG A 112 -7.524 8.219 4.559 1.00 0.00 C ATOM 1688 O ARG A 112 -7.603 7.856 5.734 1.00 0.00 O ATOM 1689 CB ARG A 112 -9.882 8.090 3.733 1.00 0.00 C ATOM 1690 CG ARG A 112 -10.782 7.930 2.518 1.00 0.00 C ATOM 1691 CD ARG A 112 -10.769 9.176 1.647 1.00 0.00 C ATOM 1692 NE ARG A 112 -11.953 9.261 0.796 1.00 0.00 N ATOM 1693 CZ ARG A 112 -13.128 9.718 1.215 1.00 0.00 C ATOM 1694 NH1 ARG A 112 -13.274 10.130 2.467 1.00 0.00 N ATOM 1695 NH2 ARG A 112 -14.159 9.765 0.381 1.00 0.00 N ATOM 0 H ARG A 112 -9.192 5.710 3.893 1.00 0.00 H new ATOM 0 HA ARG A 112 -8.113 7.981 2.517 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -10.303 7.524 4.564 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -9.873 9.138 4.033 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -10.454 7.072 1.932 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -11.801 7.723 2.844 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -10.714 10.061 2.281 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -9.874 9.174 1.024 1.00 0.00 H new ATOM 0 HE ARG A 112 -11.873 8.953 -0.173 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -12.483 10.096 3.110 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -14.177 10.481 2.787 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -14.050 9.450 -0.583 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -15.061 10.116 0.704 1.00 0.00 H new ATOM 1709 N LEU A 113 -6.654 9.132 4.142 1.00 0.00 N ATOM 1710 CA LEU A 113 -5.719 9.774 5.059 1.00 0.00 C ATOM 1711 C LEU A 113 -5.651 11.276 4.804 1.00 0.00 C ATOM 1712 O LEU A 113 -5.787 11.731 3.667 1.00 0.00 O ATOM 1713 CB LEU A 113 -4.327 9.157 4.915 1.00 0.00 C ATOM 1714 CG LEU A 113 -4.223 7.659 5.205 1.00 0.00 C ATOM 1715 CD1 LEU A 113 -2.855 7.131 4.801 1.00 0.00 C ATOM 1716 CD2 LEU A 113 -4.491 7.382 6.677 1.00 0.00 C ATOM 0 H LEU A 113 -6.577 9.445 3.174 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.077 9.613 6.076 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.976 9.335 3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.647 9.684 5.584 1.00 0.00 H new ATOM 0 HG LEU A 113 -4.978 7.140 4.615 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -2.799 6.064 5.015 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.702 7.296 3.735 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.082 7.654 5.364 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.413 6.311 6.866 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -3.759 7.912 7.286 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -5.493 7.724 6.935 1.00 0.00 H new ATOM 1728 N LYS A 114 -5.438 12.043 5.868 1.00 0.00 N ATOM 1729 CA LYS A 114 -5.347 13.494 5.760 1.00 0.00 C ATOM 1730 C LYS A 114 -3.996 13.994 6.259 1.00 0.00 C ATOM 1731 O LYS A 114 -3.512 13.565 7.308 1.00 0.00 O ATOM 1732 CB LYS A 114 -6.474 14.156 6.556 1.00 0.00 C ATOM 1733 CG LYS A 114 -7.763 14.316 5.769 1.00 0.00 C ATOM 1734 CD LYS A 114 -8.606 15.460 6.306 1.00 0.00 C ATOM 1735 CE LYS A 114 -8.131 16.802 5.771 1.00 0.00 C ATOM 1736 NZ LYS A 114 -9.143 17.874 5.982 1.00 0.00 N ATOM 0 H LYS A 114 -5.325 11.683 6.816 1.00 0.00 H new ATOM 0 HA LYS A 114 -5.447 13.762 4.708 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -6.674 13.563 7.448 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -6.141 15.137 6.894 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.530 14.496 4.720 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.335 13.389 5.814 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -9.649 15.306 6.030 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.562 15.465 7.395 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.199 17.080 6.264 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -7.914 16.712 4.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -8.781 18.773 5.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -10.024 17.621 5.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -9.332 17.978 6.999 1.00 0.00 H new ATOM 1750 N THR A 115 -3.390 14.904 5.503 1.00 0.00 N ATOM 1751 CA THR A 115 -2.094 15.463 5.869 1.00 0.00 C ATOM 1752 C THR A 115 -2.250 16.602 6.870 1.00 0.00 C ATOM 1753 O THR A 115 -3.314 17.212 6.970 1.00 0.00 O ATOM 1754 CB THR A 115 -1.336 15.980 4.633 1.00 0.00 C ATOM 1755 OG1 THR A 115 -2.199 16.797 3.834 1.00 0.00 O ATOM 1756 CG2 THR A 115 -0.809 14.822 3.798 1.00 0.00 C ATOM 0 H THR A 115 -3.776 15.270 4.633 1.00 0.00 H new ATOM 0 HA THR A 115 -1.520 14.657 6.326 1.00 0.00 H new ATOM 0 HB THR A 115 -0.490 16.575 4.976 1.00 0.00 H new ATOM 0 HG1 THR A 115 -2.169 16.492 2.903 1.00 0.00 H new ATOM 0 HG21 THR A 115 -0.277 15.212 2.930 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.129 14.219 4.400 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.643 14.204 3.465 1.00 0.00 H new ATOM 1764 N ASN A 116 -1.181 16.886 7.607 1.00 0.00 N ATOM 1765 CA ASN A 116 -1.199 17.954 8.600 1.00 0.00 C ATOM 1766 C ASN A 116 -1.359 19.316 7.932 1.00 0.00 C ATOM 1767 O ASN A 116 -0.608 19.663 7.020 1.00 0.00 O ATOM 1768 CB ASN A 116 0.086 17.929 9.431 1.00 0.00 C ATOM 1769 CG ASN A 116 0.020 16.926 10.567 1.00 0.00 C ATOM 1770 OD1 ASN A 116 -0.405 17.254 11.675 1.00 0.00 O ATOM 1771 ND2 ASN A 116 0.442 15.697 10.296 1.00 0.00 N ATOM 0 H ASN A 116 -0.292 16.392 7.535 1.00 0.00 H new ATOM 0 HA ASN A 116 -2.052 17.789 9.258 1.00 0.00 H new ATOM 0 HB2 ASN A 116 0.929 17.686 8.784 1.00 0.00 H new ATOM 0 HB3 ASN A 116 0.272 18.923 9.838 1.00 0.00 H new ATOM 0 HD21 ASN A 116 0.422 14.980 11.021 1.00 0.00 H new ATOM 0 HD22 ASN A 116 0.786 15.470 9.363 1.00 0.00 H new