USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 836 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 96 THR OG1 : rot -75:sc= 0.0534 USER MOD Set 1.2: A 97 ASN :FLIP amide:sc= -0.342 F(o=-1.6,f=-0.29) USER MOD Set 2.1: A 65 LYS NZ :NH3+ -134:sc= -1.12 (180deg=-4.26!) USER MOD Set 2.2: A 68 SER OG : rot -2:sc= 0.665 USER MOD Set 3.1: A 23 TYR OH : rot 180:sc= -3.6! USER MOD Set 3.2: A 27 SER OG : rot 109:sc= 1.67 USER MOD Set 3.3: A 112 HIS : no HD1:sc= -6.93! C(o=-8.9!,f=-12!) USER MOD Single : A 12 TYR OH : rot 100:sc= -3.15! USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -147:sc= -1.05! USER MOD Single : A 24 SER OG : rot 170:sc= -0.297 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -3.93 K(o=-3.9,f=-8.3!) USER MOD Single : A 30 ASN : amide:sc= -0.586 X(o=-0.59,f=-0.21) USER MOD Single : A 31 LYS NZ :NH3+ -157:sc= -0.0762 (180deg=-0.918) USER MOD Single : A 34 GLN : amide:sc= -5.38! C(o=-5.4!,f=-12!) USER MOD Single : A 37 LYS NZ :NH3+ -145:sc= -0.0783 (180deg=-0.853) USER MOD Single : A 44 GLN : amide:sc= -0.0964 K(o=-0.096,f=-2!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 130:sc= -4.71! (180deg=-9.71!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -2.38 K(o=-2.4,f=-3.8!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -165:sc= -3.05! (180deg=-3.71!) USER MOD Single : A 73 THR OG1 : rot 70:sc= -4.32! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 67:sc= 1.16 USER MOD Single : A 82 THR OG1 : rot -80:sc= -1.25 USER MOD Single : A 83 SER OG : rot -167:sc= -2.49! USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 87 ASN : amide:sc= -1.65! C(o=-1.6!,f=-2.9!) USER MOD Single : A 92 ASN : amide:sc= -0.021 K(o=-0.021,f=-0.65) USER MOD Single : A 98 THR OG1 : rot 100:sc= -1.24 USER MOD Single : A 103 SER OG : rot 103:sc= 1.17 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl -163:sc= 0 (180deg=-0.00496) USER MOD Single : A 109 MET CE :methyl -158:sc= 0 (180deg=-0.876) USER MOD Single : A 110 SER OG : rot 38:sc= 0.0734 USER MOD ----------------------------------------------------------------- ATOM 193 N TYR A 12 -3.355 3.480 15.359 1.00 0.00 N ATOM 194 CA TYR A 12 -3.500 4.933 15.414 1.00 0.00 C ATOM 195 C TYR A 12 -4.909 5.360 15.008 1.00 0.00 C ATOM 196 O TYR A 12 -5.719 5.737 15.855 1.00 0.00 O ATOM 197 CB TYR A 12 -2.456 5.588 14.497 1.00 0.00 C ATOM 198 CG TYR A 12 -1.478 4.586 13.921 1.00 0.00 C ATOM 199 CD1 TYR A 12 -0.637 3.865 14.757 1.00 0.00 C ATOM 200 CD2 TYR A 12 -1.419 4.335 12.558 1.00 0.00 C ATOM 201 CE1 TYR A 12 0.233 2.924 14.258 1.00 0.00 C ATOM 202 CE2 TYR A 12 -0.549 3.390 12.047 1.00 0.00 C ATOM 203 CZ TYR A 12 0.274 2.687 12.901 1.00 0.00 C ATOM 204 OH TYR A 12 1.142 1.745 12.397 1.00 0.00 O ATOM 0 HA TYR A 12 -3.336 5.262 16.440 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -2.965 6.103 13.682 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.908 6.344 15.059 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.666 4.047 15.821 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -2.062 4.885 11.887 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.880 2.374 14.925 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -0.514 3.203 10.984 1.00 0.00 H new ATOM 0 HH TYR A 12 0.656 0.912 12.222 1.00 0.00 H new ATOM 214 N GLY A 13 -5.195 5.296 13.712 1.00 0.00 N ATOM 215 CA GLY A 13 -6.510 5.679 13.229 1.00 0.00 C ATOM 216 C GLY A 13 -6.495 6.125 11.780 1.00 0.00 C ATOM 217 O GLY A 13 -6.902 5.377 10.891 1.00 0.00 O ATOM 0 H GLY A 13 -4.544 4.987 12.990 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.192 4.836 13.338 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -6.899 6.486 13.849 1.00 0.00 H new ATOM 221 N ILE A 14 -6.032 7.349 11.542 1.00 0.00 N ATOM 222 CA ILE A 14 -5.974 7.893 10.189 1.00 0.00 C ATOM 223 C ILE A 14 -5.196 6.972 9.255 1.00 0.00 C ATOM 224 O ILE A 14 -5.639 6.682 8.144 1.00 0.00 O ATOM 225 CB ILE A 14 -5.335 9.297 10.173 1.00 0.00 C ATOM 226 CG1 ILE A 14 -5.378 9.888 8.762 1.00 0.00 C ATOM 227 CG2 ILE A 14 -3.905 9.239 10.687 1.00 0.00 C ATOM 228 CD1 ILE A 14 -6.770 9.954 8.175 1.00 0.00 C ATOM 0 H ILE A 14 -5.692 7.981 12.267 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.002 7.970 9.835 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.909 9.945 10.835 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.954 10.892 8.785 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.745 9.290 8.107 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.471 10.239 10.668 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.901 8.861 11.709 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.317 8.576 10.052 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.723 10.383 7.174 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -7.189 8.949 8.120 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.402 10.577 8.808 1.00 0.00 H new ATOM 240 N GLU A 15 -4.037 6.510 9.712 1.00 0.00 N ATOM 241 CA GLU A 15 -3.209 5.619 8.912 1.00 0.00 C ATOM 242 C GLU A 15 -3.838 4.233 8.836 1.00 0.00 C ATOM 243 O GLU A 15 -3.682 3.522 7.842 1.00 0.00 O ATOM 244 CB GLU A 15 -1.797 5.531 9.496 1.00 0.00 C ATOM 245 CG GLU A 15 -0.715 5.999 8.538 1.00 0.00 C ATOM 246 CD GLU A 15 0.434 6.690 9.247 1.00 0.00 C ATOM 247 OE1 GLU A 15 0.214 7.787 9.802 1.00 0.00 O ATOM 248 OE2 GLU A 15 1.552 6.134 9.249 1.00 0.00 O ATOM 0 H GLU A 15 -3.652 6.737 10.629 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.142 6.025 7.903 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.750 6.130 10.405 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.595 4.499 9.784 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.332 5.143 7.983 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.151 6.683 7.809 1.00 0.00 H new ATOM 255 N GLY A 16 -4.559 3.858 9.889 1.00 0.00 N ATOM 256 CA GLY A 16 -5.210 2.564 9.914 1.00 0.00 C ATOM 257 C GLY A 16 -6.459 2.543 9.058 1.00 0.00 C ATOM 258 O GLY A 16 -6.828 1.504 8.511 1.00 0.00 O ATOM 0 H GLY A 16 -4.703 4.427 10.723 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.516 1.801 9.561 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -5.470 2.308 10.941 1.00 0.00 H new ATOM 262 N ARG A 17 -7.109 3.698 8.938 1.00 0.00 N ATOM 263 CA ARG A 17 -8.319 3.813 8.135 1.00 0.00 C ATOM 264 C ARG A 17 -7.989 3.736 6.649 1.00 0.00 C ATOM 265 O ARG A 17 -8.820 3.326 5.842 1.00 0.00 O ATOM 266 CB ARG A 17 -9.041 5.126 8.445 1.00 0.00 C ATOM 267 CG ARG A 17 -10.044 5.014 9.581 1.00 0.00 C ATOM 268 CD ARG A 17 -10.478 6.384 10.078 1.00 0.00 C ATOM 269 NE ARG A 17 -11.814 6.356 10.665 1.00 0.00 N ATOM 270 CZ ARG A 17 -12.089 5.831 11.857 1.00 0.00 C ATOM 271 NH1 ARG A 17 -11.125 5.290 12.591 1.00 0.00 N ATOM 272 NH2 ARG A 17 -13.333 5.847 12.317 1.00 0.00 N ATOM 0 H ARG A 17 -6.817 4.566 9.387 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.976 2.981 8.388 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.302 5.887 8.697 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.557 5.468 7.548 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.917 4.455 9.243 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.603 4.450 10.403 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.764 6.743 10.819 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.461 7.092 9.249 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.582 6.762 10.131 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.166 5.275 12.243 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.343 4.889 13.503 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.078 6.261 11.757 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.544 5.445 13.230 1.00 0.00 H new ATOM 286 N TYR A 18 -6.766 4.124 6.293 1.00 0.00 N ATOM 287 CA TYR A 18 -6.333 4.083 4.901 1.00 0.00 C ATOM 288 C TYR A 18 -6.542 2.691 4.323 1.00 0.00 C ATOM 289 O TYR A 18 -7.091 2.533 3.233 1.00 0.00 O ATOM 290 CB TYR A 18 -4.857 4.478 4.790 1.00 0.00 C ATOM 291 CG TYR A 18 -4.635 5.871 4.250 1.00 0.00 C ATOM 292 CD1 TYR A 18 -5.059 6.986 4.961 1.00 0.00 C ATOM 293 CD2 TYR A 18 -3.999 6.071 3.031 1.00 0.00 C ATOM 294 CE1 TYR A 18 -4.855 8.262 4.472 1.00 0.00 C ATOM 295 CE2 TYR A 18 -3.791 7.343 2.536 1.00 0.00 C ATOM 296 CZ TYR A 18 -4.221 8.435 3.259 1.00 0.00 C ATOM 297 OH TYR A 18 -4.017 9.705 2.768 1.00 0.00 O ATOM 0 H TYR A 18 -6.062 4.468 6.946 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.932 4.795 4.333 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.396 4.403 5.775 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.347 3.763 4.144 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.556 6.854 5.911 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.662 5.218 2.461 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.190 9.120 5.036 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.294 7.482 1.587 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.557 9.652 1.904 1.00 0.00 H new ATOM 307 N ALA A 19 -6.110 1.684 5.071 1.00 0.00 N ATOM 308 CA ALA A 19 -6.260 0.303 4.645 1.00 0.00 C ATOM 309 C ALA A 19 -7.714 -0.129 4.751 1.00 0.00 C ATOM 310 O ALA A 19 -8.199 -0.915 3.938 1.00 0.00 O ATOM 311 CB ALA A 19 -5.367 -0.607 5.478 1.00 0.00 C ATOM 0 H ALA A 19 -5.653 1.800 5.976 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.954 0.224 3.602 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.490 -1.639 5.148 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.326 -0.308 5.354 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.645 -0.527 6.529 1.00 0.00 H new ATOM 317 N THR A 20 -8.411 0.399 5.751 1.00 0.00 N ATOM 318 CA THR A 20 -9.815 0.070 5.949 1.00 0.00 C ATOM 319 C THR A 20 -10.671 0.713 4.867 1.00 0.00 C ATOM 320 O THR A 20 -11.728 0.192 4.509 1.00 0.00 O ATOM 321 CB THR A 20 -10.290 0.513 7.334 1.00 0.00 C ATOM 322 OG1 THR A 20 -9.190 0.840 8.162 1.00 0.00 O ATOM 323 CG2 THR A 20 -11.101 -0.548 8.048 1.00 0.00 C ATOM 0 H THR A 20 -8.028 1.053 6.433 1.00 0.00 H new ATOM 0 HA THR A 20 -9.921 -1.013 5.881 1.00 0.00 H new ATOM 0 HB THR A 20 -10.923 1.383 7.161 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.404 0.619 9.092 1.00 0.00 H new ATOM 0 HG21 THR A 20 -11.409 -0.175 9.025 1.00 0.00 H new ATOM 0 HG22 THR A 20 -11.984 -0.790 7.457 1.00 0.00 H new ATOM 0 HG23 THR A 20 -10.494 -1.444 8.177 1.00 0.00 H new ATOM 331 N ALA A 21 -10.206 1.840 4.335 1.00 0.00 N ATOM 332 CA ALA A 21 -10.933 2.533 3.282 1.00 0.00 C ATOM 333 C ALA A 21 -10.511 2.033 1.907 1.00 0.00 C ATOM 334 O ALA A 21 -10.969 2.540 0.883 1.00 0.00 O ATOM 335 CB ALA A 21 -10.735 4.036 3.393 1.00 0.00 C ATOM 0 H ALA A 21 -9.334 2.289 4.615 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.994 2.317 3.406 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.287 4.535 2.597 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.102 4.381 4.360 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.675 4.271 3.302 1.00 0.00 H new ATOM 341 N LEU A 22 -9.664 1.010 1.891 1.00 0.00 N ATOM 342 CA LEU A 22 -9.212 0.411 0.645 1.00 0.00 C ATOM 343 C LEU A 22 -9.684 -1.016 0.615 1.00 0.00 C ATOM 344 O LEU A 22 -10.262 -1.479 -0.368 1.00 0.00 O ATOM 345 CB LEU A 22 -7.689 0.475 0.515 1.00 0.00 C ATOM 346 CG LEU A 22 -7.110 -0.303 -0.671 1.00 0.00 C ATOM 347 CD1 LEU A 22 -6.893 0.619 -1.860 1.00 0.00 C ATOM 348 CD2 LEU A 22 -5.810 -0.989 -0.276 1.00 0.00 C ATOM 0 H LEU A 22 -9.277 0.579 2.730 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.627 0.966 -0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.390 1.519 0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.244 0.093 1.434 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.826 -1.071 -0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.481 0.048 -2.693 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.845 1.059 -2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.197 1.411 -1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.413 -1.537 -1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.085 -0.240 0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.999 -1.683 0.543 1.00 0.00 H new ATOM 360 N TYR A 23 -9.476 -1.698 1.726 1.00 0.00 N ATOM 361 CA TYR A 23 -9.926 -3.055 1.848 1.00 0.00 C ATOM 362 C TYR A 23 -11.450 -3.066 1.953 1.00 0.00 C ATOM 363 O TYR A 23 -12.076 -4.102 1.754 1.00 0.00 O ATOM 364 CB TYR A 23 -9.288 -3.723 3.062 1.00 0.00 C ATOM 365 CG TYR A 23 -10.291 -4.242 4.057 1.00 0.00 C ATOM 366 CD1 TYR A 23 -10.945 -5.439 3.834 1.00 0.00 C ATOM 367 CD2 TYR A 23 -10.599 -3.522 5.200 1.00 0.00 C ATOM 368 CE1 TYR A 23 -11.874 -5.919 4.725 1.00 0.00 C ATOM 369 CE2 TYR A 23 -11.535 -3.984 6.095 1.00 0.00 C ATOM 370 CZ TYR A 23 -12.170 -5.187 5.857 1.00 0.00 C ATOM 371 OH TYR A 23 -13.116 -5.648 6.740 1.00 0.00 O ATOM 0 H TYR A 23 -8.999 -1.329 2.549 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.625 -3.621 0.966 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.661 -4.549 2.725 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.633 -3.007 3.558 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -10.722 -6.007 2.943 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -10.097 -2.585 5.391 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -12.369 -6.861 4.541 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -11.772 -3.410 6.978 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.205 -5.016 7.484 1.00 0.00 H new ATOM 381 N SER A 24 -12.052 -1.902 2.246 1.00 0.00 N ATOM 382 CA SER A 24 -13.505 -1.816 2.338 1.00 0.00 C ATOM 383 C SER A 24 -14.117 -2.452 1.102 1.00 0.00 C ATOM 384 O SER A 24 -15.140 -3.134 1.172 1.00 0.00 O ATOM 385 CB SER A 24 -13.955 -0.359 2.468 1.00 0.00 C ATOM 386 OG SER A 24 -13.018 0.520 1.871 1.00 0.00 O ATOM 0 H SER A 24 -11.559 -1.026 2.419 1.00 0.00 H new ATOM 0 HA SER A 24 -13.841 -2.349 3.228 1.00 0.00 H new ATOM 0 HB2 SER A 24 -14.929 -0.233 1.995 1.00 0.00 H new ATOM 0 HB3 SER A 24 -14.076 -0.105 3.521 1.00 0.00 H new ATOM 0 HG SER A 24 -13.399 1.421 1.823 1.00 0.00 H new ATOM 392 N ALA A 25 -13.441 -2.260 -0.026 1.00 0.00 N ATOM 393 CA ALA A 25 -13.866 -2.849 -1.279 1.00 0.00 C ATOM 394 C ALA A 25 -13.352 -4.279 -1.345 1.00 0.00 C ATOM 395 O ALA A 25 -14.005 -5.165 -1.893 1.00 0.00 O ATOM 396 CB ALA A 25 -13.355 -2.035 -2.459 1.00 0.00 C ATOM 0 H ALA A 25 -12.593 -1.697 -0.092 1.00 0.00 H new ATOM 0 HA ALA A 25 -14.955 -2.851 -1.331 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -13.686 -2.496 -3.390 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.747 -1.020 -2.397 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.266 -2.006 -2.436 1.00 0.00 H new ATOM 402 N ALA A 26 -12.177 -4.498 -0.746 1.00 0.00 N ATOM 403 CA ALA A 26 -11.582 -5.822 -0.702 1.00 0.00 C ATOM 404 C ALA A 26 -12.342 -6.721 0.272 1.00 0.00 C ATOM 405 O ALA A 26 -12.164 -7.936 0.274 1.00 0.00 O ATOM 406 CB ALA A 26 -10.117 -5.731 -0.306 1.00 0.00 C ATOM 0 H ALA A 26 -11.626 -3.772 -0.288 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.647 -6.262 -1.697 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.685 -6.731 -0.277 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.580 -5.125 -1.035 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.034 -5.272 0.679 1.00 0.00 H new ATOM 412 N SER A 27 -13.194 -6.113 1.102 1.00 0.00 N ATOM 413 CA SER A 27 -13.981 -6.859 2.072 1.00 0.00 C ATOM 414 C SER A 27 -15.137 -7.565 1.375 1.00 0.00 C ATOM 415 O SER A 27 -15.384 -8.749 1.601 1.00 0.00 O ATOM 416 CB SER A 27 -14.515 -5.927 3.160 1.00 0.00 C ATOM 417 OG SER A 27 -14.679 -6.615 4.388 1.00 0.00 O ATOM 0 H SER A 27 -13.352 -5.105 1.117 1.00 0.00 H new ATOM 0 HA SER A 27 -13.339 -7.605 2.539 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.828 -5.092 3.297 1.00 0.00 H new ATOM 0 HB3 SER A 27 -15.470 -5.506 2.846 1.00 0.00 H new ATOM 0 HG SER A 27 -13.998 -6.314 5.025 1.00 0.00 H new ATOM 423 N LYS A 28 -15.832 -6.831 0.510 1.00 0.00 N ATOM 424 CA LYS A 28 -16.949 -7.394 -0.237 1.00 0.00 C ATOM 425 C LYS A 28 -16.470 -8.564 -1.087 1.00 0.00 C ATOM 426 O LYS A 28 -17.228 -9.491 -1.375 1.00 0.00 O ATOM 427 CB LYS A 28 -17.590 -6.326 -1.125 1.00 0.00 C ATOM 428 CG LYS A 28 -18.378 -5.282 -0.348 1.00 0.00 C ATOM 429 CD LYS A 28 -18.320 -3.924 -1.028 1.00 0.00 C ATOM 430 CE LYS A 28 -19.399 -3.786 -2.090 1.00 0.00 C ATOM 431 NZ LYS A 28 -19.021 -2.801 -3.141 1.00 0.00 N ATOM 0 H LYS A 28 -15.641 -5.849 0.311 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.697 -7.752 0.470 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.810 -5.827 -1.700 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -18.253 -6.811 -1.841 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -19.416 -5.601 -0.257 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -17.980 -5.202 0.663 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -18.439 -3.137 -0.283 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -17.340 -3.786 -1.484 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -19.581 -4.757 -2.551 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -20.333 -3.476 -1.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -19.783 -2.736 -3.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.872 -1.868 -2.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.144 -3.110 -3.607 1.00 0.00 H new ATOM 445 N GLN A 29 -15.199 -8.515 -1.477 1.00 0.00 N ATOM 446 CA GLN A 29 -14.602 -9.569 -2.284 1.00 0.00 C ATOM 447 C GLN A 29 -13.941 -10.612 -1.391 1.00 0.00 C ATOM 448 O GLN A 29 -14.151 -11.812 -1.572 1.00 0.00 O ATOM 449 CB GLN A 29 -13.574 -8.982 -3.253 1.00 0.00 C ATOM 450 CG GLN A 29 -14.196 -8.291 -4.455 1.00 0.00 C ATOM 451 CD GLN A 29 -15.026 -7.082 -4.068 1.00 0.00 C ATOM 452 OE1 GLN A 29 -16.124 -7.217 -3.530 1.00 0.00 O ATOM 453 NE2 GLN A 29 -14.503 -5.894 -4.343 1.00 0.00 N ATOM 0 H GLN A 29 -14.563 -7.752 -1.245 1.00 0.00 H new ATOM 0 HA GLN A 29 -15.392 -10.050 -2.860 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.949 -8.268 -2.717 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.919 -9.780 -3.602 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -13.407 -7.981 -5.140 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.824 -9.001 -4.993 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.588 -5.831 -4.790 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.015 -5.044 -4.107 1.00 0.00 H new ATOM 462 N ASN A 30 -13.135 -10.139 -0.432 1.00 0.00 N ATOM 463 CA ASN A 30 -12.417 -11.006 0.506 1.00 0.00 C ATOM 464 C ASN A 30 -10.966 -11.133 0.079 1.00 0.00 C ATOM 465 O ASN A 30 -10.342 -12.182 0.245 1.00 0.00 O ATOM 466 CB ASN A 30 -13.058 -12.396 0.611 1.00 0.00 C ATOM 467 CG ASN A 30 -12.635 -13.132 1.867 1.00 0.00 C ATOM 468 OD1 ASN A 30 -13.184 -12.910 2.947 1.00 0.00 O ATOM 469 ND2 ASN A 30 -11.654 -14.018 1.732 1.00 0.00 N ATOM 0 H ASN A 30 -12.963 -9.144 -0.286 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.473 -10.546 1.493 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.143 -12.295 0.600 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -12.784 -12.987 -0.263 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.328 -14.545 2.542 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.227 -14.171 0.818 1.00 0.00 H new ATOM 476 N LYS A 31 -10.439 -10.051 -0.478 1.00 0.00 N ATOM 477 CA LYS A 31 -9.062 -10.025 -0.940 1.00 0.00 C ATOM 478 C LYS A 31 -8.115 -9.562 0.162 1.00 0.00 C ATOM 479 O LYS A 31 -6.972 -9.207 -0.115 1.00 0.00 O ATOM 480 CB LYS A 31 -8.929 -9.116 -2.163 1.00 0.00 C ATOM 481 CG LYS A 31 -9.006 -9.864 -3.484 1.00 0.00 C ATOM 482 CD LYS A 31 -10.387 -9.753 -4.109 1.00 0.00 C ATOM 483 CE LYS A 31 -10.325 -9.875 -5.623 1.00 0.00 C ATOM 484 NZ LYS A 31 -11.646 -9.610 -6.257 1.00 0.00 N ATOM 0 H LYS A 31 -10.948 -9.178 -0.620 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.785 -11.042 -1.219 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.717 -8.363 -2.134 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.979 -8.585 -2.110 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.261 -9.465 -4.173 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.762 -10.914 -3.323 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.033 -10.533 -3.706 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.834 -8.797 -3.838 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.588 -9.174 -6.014 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.987 -10.876 -5.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.679 -10.063 -7.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.403 -9.997 -5.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.780 -8.584 -6.364 1.00 0.00 H new ATOM 498 N LEU A 32 -8.584 -9.580 1.416 1.00 0.00 N ATOM 499 CA LEU A 32 -7.755 -9.177 2.550 1.00 0.00 C ATOM 500 C LEU A 32 -6.345 -9.728 2.394 1.00 0.00 C ATOM 501 O LEU A 32 -5.370 -9.083 2.765 1.00 0.00 O ATOM 502 CB LEU A 32 -8.371 -9.689 3.849 1.00 0.00 C ATOM 503 CG LEU A 32 -9.485 -8.810 4.405 1.00 0.00 C ATOM 504 CD1 LEU A 32 -9.978 -9.348 5.735 1.00 0.00 C ATOM 505 CD2 LEU A 32 -8.995 -7.380 4.543 1.00 0.00 C ATOM 0 H LEU A 32 -9.530 -9.869 1.667 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.705 -8.089 2.581 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.765 -10.691 3.680 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.586 -9.778 4.599 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.325 -8.822 3.710 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.773 -8.706 6.115 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.362 -10.359 5.599 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.154 -9.366 6.448 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.796 -6.758 4.941 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.142 -7.351 5.222 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.694 -7.003 3.566 1.00 0.00 H new ATOM 517 N GLU A 33 -6.254 -10.920 1.817 1.00 0.00 N ATOM 518 CA GLU A 33 -4.966 -11.561 1.583 1.00 0.00 C ATOM 519 C GLU A 33 -4.255 -10.891 0.413 1.00 0.00 C ATOM 520 O GLU A 33 -3.051 -10.640 0.461 1.00 0.00 O ATOM 521 CB GLU A 33 -5.154 -13.052 1.301 1.00 0.00 C ATOM 522 CG GLU A 33 -4.075 -13.929 1.919 1.00 0.00 C ATOM 523 CD GLU A 33 -4.563 -14.679 3.143 1.00 0.00 C ATOM 524 OE1 GLU A 33 -5.685 -15.224 3.096 1.00 0.00 O ATOM 525 OE2 GLU A 33 -3.822 -14.722 4.147 1.00 0.00 O ATOM 0 H GLU A 33 -7.058 -11.463 1.502 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.355 -11.453 2.479 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.127 -13.365 1.680 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.166 -13.211 0.223 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.723 -14.644 1.175 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.221 -13.309 2.194 1.00 0.00 H new ATOM 532 N GLN A 34 -5.019 -10.592 -0.634 1.00 0.00 N ATOM 533 CA GLN A 34 -4.480 -9.936 -1.819 1.00 0.00 C ATOM 534 C GLN A 34 -4.159 -8.470 -1.534 1.00 0.00 C ATOM 535 O GLN A 34 -3.490 -7.810 -2.325 1.00 0.00 O ATOM 536 CB GLN A 34 -5.470 -10.042 -2.982 1.00 0.00 C ATOM 537 CG GLN A 34 -4.912 -10.780 -4.189 1.00 0.00 C ATOM 538 CD GLN A 34 -3.661 -10.128 -4.745 1.00 0.00 C ATOM 539 OE1 GLN A 34 -2.880 -9.528 -4.007 1.00 0.00 O ATOM 540 NE2 GLN A 34 -3.464 -10.244 -6.052 1.00 0.00 N ATOM 0 H GLN A 34 -6.017 -10.795 -0.685 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.554 -10.442 -2.094 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.369 -10.553 -2.638 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.770 -9.039 -3.286 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.687 -11.809 -3.909 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -5.673 -10.821 -4.969 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.138 -10.750 -6.626 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.639 -9.827 -6.482 1.00 0.00 H new ATOM 549 N VAL A 35 -4.638 -7.962 -0.401 1.00 0.00 N ATOM 550 CA VAL A 35 -4.388 -6.572 -0.023 1.00 0.00 C ATOM 551 C VAL A 35 -3.512 -6.498 1.226 1.00 0.00 C ATOM 552 O VAL A 35 -2.917 -5.461 1.517 1.00 0.00 O ATOM 553 CB VAL A 35 -5.700 -5.793 0.252 1.00 0.00 C ATOM 554 CG1 VAL A 35 -5.609 -4.388 -0.317 1.00 0.00 C ATOM 555 CG2 VAL A 35 -6.926 -6.523 -0.301 1.00 0.00 C ATOM 0 H VAL A 35 -5.199 -8.488 0.269 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.878 -6.112 -0.870 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.824 -5.729 1.333 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.537 -3.853 -0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.778 -3.860 0.150 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.447 -4.441 -1.394 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.823 -5.942 -0.086 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.822 -6.644 -1.379 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.008 -7.504 0.168 1.00 0.00 H new ATOM 565 N GLU A 36 -3.434 -7.606 1.952 1.00 0.00 N ATOM 566 CA GLU A 36 -2.625 -7.673 3.163 1.00 0.00 C ATOM 567 C GLU A 36 -1.255 -8.224 2.825 1.00 0.00 C ATOM 568 O GLU A 36 -0.239 -7.781 3.361 1.00 0.00 O ATOM 569 CB GLU A 36 -3.295 -8.551 4.223 1.00 0.00 C ATOM 570 CG GLU A 36 -2.496 -8.666 5.511 1.00 0.00 C ATOM 571 CD GLU A 36 -1.570 -9.866 5.517 1.00 0.00 C ATOM 572 OE1 GLU A 36 -2.013 -10.959 5.105 1.00 0.00 O ATOM 573 OE2 GLU A 36 -0.402 -9.714 5.932 1.00 0.00 O ATOM 0 H GLU A 36 -3.922 -8.472 1.723 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.525 -6.667 3.571 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.280 -8.143 4.451 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.451 -9.548 3.811 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.909 -7.758 5.653 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.182 -8.737 6.355 1.00 0.00 H new ATOM 580 N LYS A 37 -1.238 -9.181 1.906 1.00 0.00 N ATOM 581 CA LYS A 37 0.006 -9.781 1.463 1.00 0.00 C ATOM 582 C LYS A 37 0.724 -8.810 0.548 1.00 0.00 C ATOM 583 O LYS A 37 1.951 -8.708 0.571 1.00 0.00 O ATOM 584 CB LYS A 37 -0.254 -11.104 0.739 1.00 0.00 C ATOM 585 CG LYS A 37 -0.906 -12.160 1.618 1.00 0.00 C ATOM 586 CD LYS A 37 -1.148 -13.449 0.851 1.00 0.00 C ATOM 587 CE LYS A 37 -1.041 -14.664 1.758 1.00 0.00 C ATOM 588 NZ LYS A 37 -1.426 -15.919 1.055 1.00 0.00 N ATOM 0 H LYS A 37 -2.073 -9.556 1.455 1.00 0.00 H new ATOM 0 HA LYS A 37 0.629 -9.995 2.331 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.892 -10.917 -0.124 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.691 -11.492 0.359 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.269 -12.362 2.480 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.853 -11.781 2.003 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.137 -13.421 0.393 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.424 -13.533 0.041 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.019 -14.753 2.126 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.682 -14.524 2.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.905 -16.558 1.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.069 -15.694 0.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.573 -16.384 0.682 1.00 0.00 H new ATOM 602 N GLU A 38 -0.052 -8.070 -0.240 1.00 0.00 N ATOM 603 CA GLU A 38 0.516 -7.087 -1.128 1.00 0.00 C ATOM 604 C GLU A 38 1.120 -5.954 -0.313 1.00 0.00 C ATOM 605 O GLU A 38 2.271 -5.573 -0.519 1.00 0.00 O ATOM 606 CB GLU A 38 -0.566 -6.556 -2.063 1.00 0.00 C ATOM 607 CG GLU A 38 -0.968 -7.536 -3.150 1.00 0.00 C ATOM 608 CD GLU A 38 0.105 -7.714 -4.202 1.00 0.00 C ATOM 609 OE1 GLU A 38 1.132 -7.006 -4.128 1.00 0.00 O ATOM 610 OE2 GLU A 38 -0.080 -8.563 -5.098 1.00 0.00 O ATOM 0 H GLU A 38 -1.069 -8.139 -0.274 1.00 0.00 H new ATOM 0 HA GLU A 38 1.302 -7.545 -1.728 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.447 -6.298 -1.475 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.212 -5.636 -2.528 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.191 -8.502 -2.698 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.884 -7.188 -3.627 1.00 0.00 H new ATOM 617 N LEU A 39 0.338 -5.424 0.623 1.00 0.00 N ATOM 618 CA LEU A 39 0.794 -4.335 1.481 1.00 0.00 C ATOM 619 C LEU A 39 2.175 -4.638 2.051 1.00 0.00 C ATOM 620 O LEU A 39 2.994 -3.737 2.227 1.00 0.00 O ATOM 621 CB LEU A 39 -0.207 -4.092 2.613 1.00 0.00 C ATOM 622 CG LEU A 39 -1.069 -2.839 2.452 1.00 0.00 C ATOM 623 CD1 LEU A 39 -2.490 -3.099 2.933 1.00 0.00 C ATOM 624 CD2 LEU A 39 -0.454 -1.670 3.208 1.00 0.00 C ATOM 0 H LEU A 39 -0.617 -5.732 0.807 1.00 0.00 H new ATOM 0 HA LEU A 39 0.864 -3.431 0.876 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.863 -4.959 2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.340 -4.021 3.553 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.109 -2.583 1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.087 -2.195 2.810 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.930 -3.907 2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.472 -3.381 3.986 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.080 -0.786 3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.384 -1.918 4.267 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.543 -1.467 2.816 1.00 0.00 H new ATOM 636 N LEU A 40 2.434 -5.913 2.326 1.00 0.00 N ATOM 637 CA LEU A 40 3.728 -6.322 2.862 1.00 0.00 C ATOM 638 C LEU A 40 4.838 -5.993 1.870 1.00 0.00 C ATOM 639 O LEU A 40 5.981 -5.750 2.257 1.00 0.00 O ATOM 640 CB LEU A 40 3.728 -7.819 3.177 1.00 0.00 C ATOM 641 CG LEU A 40 4.723 -8.253 4.255 1.00 0.00 C ATOM 642 CD1 LEU A 40 4.101 -8.124 5.637 1.00 0.00 C ATOM 643 CD2 LEU A 40 5.186 -9.680 4.007 1.00 0.00 C ATOM 0 H LEU A 40 1.771 -6.675 2.188 1.00 0.00 H new ATOM 0 HA LEU A 40 3.909 -5.773 3.786 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.725 -8.109 3.491 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.946 -8.368 2.261 1.00 0.00 H new ATOM 0 HG LEU A 40 5.592 -7.597 4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.823 -8.437 6.391 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.819 -7.086 5.813 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.215 -8.756 5.698 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.893 -9.973 4.783 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.327 -10.350 4.028 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.670 -9.741 3.032 1.00 0.00 H new ATOM 655 N ARG A 41 4.487 -5.978 0.588 1.00 0.00 N ATOM 656 CA ARG A 41 5.443 -5.669 -0.464 1.00 0.00 C ATOM 657 C ARG A 41 5.909 -4.222 -0.356 1.00 0.00 C ATOM 658 O ARG A 41 7.101 -3.934 -0.455 1.00 0.00 O ATOM 659 CB ARG A 41 4.818 -5.916 -1.838 1.00 0.00 C ATOM 660 CG ARG A 41 4.355 -7.348 -2.047 1.00 0.00 C ATOM 661 CD ARG A 41 5.388 -8.162 -2.808 1.00 0.00 C ATOM 662 NE ARG A 41 6.656 -8.250 -2.086 1.00 0.00 N ATOM 663 CZ ARG A 41 6.872 -9.078 -1.066 1.00 0.00 C ATOM 664 NH1 ARG A 41 5.910 -9.889 -0.646 1.00 0.00 N ATOM 665 NH2 ARG A 41 8.054 -9.094 -0.466 1.00 0.00 N ATOM 0 H ARG A 41 3.544 -6.177 0.254 1.00 0.00 H new ATOM 0 HA ARG A 41 6.307 -6.323 -0.346 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.968 -5.246 -1.967 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.545 -5.662 -2.610 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.163 -7.814 -1.081 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.413 -7.351 -2.595 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.001 -9.166 -2.984 1.00 0.00 H new ATOM 0 HD3 ARG A 41 5.558 -7.710 -3.785 1.00 0.00 H new ATOM 0 HE ARG A 41 7.420 -7.642 -2.381 1.00 0.00 H new ATOM 0 HH11 ARG A 41 4.999 -9.880 -1.105 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.081 -10.521 0.136 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.797 -8.472 -0.786 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.221 -9.728 0.316 1.00 0.00 H new ATOM 679 N VAL A 42 4.958 -3.315 -0.146 1.00 0.00 N ATOM 680 CA VAL A 42 5.270 -1.896 -0.019 1.00 0.00 C ATOM 681 C VAL A 42 6.328 -1.663 1.057 1.00 0.00 C ATOM 682 O VAL A 42 7.077 -0.687 1.001 1.00 0.00 O ATOM 683 CB VAL A 42 4.013 -1.067 0.321 1.00 0.00 C ATOM 684 CG1 VAL A 42 4.346 0.416 0.379 1.00 0.00 C ATOM 685 CG2 VAL A 42 2.907 -1.331 -0.692 1.00 0.00 C ATOM 0 H VAL A 42 3.966 -3.538 -0.060 1.00 0.00 H new ATOM 0 HA VAL A 42 5.656 -1.570 -0.985 1.00 0.00 H new ATOM 0 HB VAL A 42 3.657 -1.374 1.304 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.446 0.982 0.620 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.100 0.590 1.146 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.731 0.741 -0.588 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.029 -0.738 -0.435 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.253 -1.055 -1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.646 -2.389 -0.678 1.00 0.00 H new ATOM 695 N GLY A 43 6.387 -2.567 2.031 1.00 0.00 N ATOM 696 CA GLY A 43 7.362 -2.437 3.098 1.00 0.00 C ATOM 697 C GLY A 43 8.770 -2.753 2.634 1.00 0.00 C ATOM 698 O GLY A 43 9.712 -2.026 2.948 1.00 0.00 O ATOM 0 H GLY A 43 5.780 -3.384 2.100 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.332 -1.422 3.493 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.093 -3.105 3.916 1.00 0.00 H new ATOM 702 N GLN A 44 8.912 -3.838 1.881 1.00 0.00 N ATOM 703 CA GLN A 44 10.216 -4.246 1.369 1.00 0.00 C ATOM 704 C GLN A 44 10.727 -3.248 0.335 1.00 0.00 C ATOM 705 O GLN A 44 11.934 -3.074 0.168 1.00 0.00 O ATOM 706 CB GLN A 44 10.130 -5.642 0.750 1.00 0.00 C ATOM 707 CG GLN A 44 10.310 -6.766 1.757 1.00 0.00 C ATOM 708 CD GLN A 44 10.803 -8.049 1.116 1.00 0.00 C ATOM 709 OE1 GLN A 44 11.044 -8.101 -0.089 1.00 0.00 O ATOM 710 NE2 GLN A 44 10.956 -9.093 1.923 1.00 0.00 N ATOM 0 H GLN A 44 8.142 -4.450 1.612 1.00 0.00 H new ATOM 0 HA GLN A 44 10.917 -4.270 2.203 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.162 -5.755 0.261 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.891 -5.734 -0.025 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.018 -6.452 2.524 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.361 -6.956 2.258 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.744 -9.005 2.917 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.285 -9.983 1.549 1.00 0.00 H new ATOM 719 N ILE A 45 9.799 -2.593 -0.356 1.00 0.00 N ATOM 720 CA ILE A 45 10.153 -1.611 -1.373 1.00 0.00 C ATOM 721 C ILE A 45 10.813 -0.387 -0.746 1.00 0.00 C ATOM 722 O ILE A 45 11.789 0.143 -1.275 1.00 0.00 O ATOM 723 CB ILE A 45 8.912 -1.169 -2.178 1.00 0.00 C ATOM 724 CG1 ILE A 45 8.249 -2.380 -2.836 1.00 0.00 C ATOM 725 CG2 ILE A 45 9.287 -0.133 -3.231 1.00 0.00 C ATOM 726 CD1 ILE A 45 6.792 -2.158 -3.179 1.00 0.00 C ATOM 0 H ILE A 45 8.796 -2.725 -0.229 1.00 0.00 H new ATOM 0 HA ILE A 45 10.861 -2.089 -2.050 1.00 0.00 H new ATOM 0 HB ILE A 45 8.203 -0.711 -1.488 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.794 -2.633 -3.746 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.330 -3.237 -2.167 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.396 0.162 -3.785 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.718 0.742 -2.744 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.016 -0.561 -3.919 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.386 -3.057 -3.642 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.234 -1.935 -2.270 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.705 -1.322 -3.873 1.00 0.00 H new ATOM 738 N LEU A 46 10.275 0.059 0.384 1.00 0.00 N ATOM 739 CA LEU A 46 10.816 1.222 1.075 1.00 0.00 C ATOM 740 C LEU A 46 12.181 0.911 1.675 1.00 0.00 C ATOM 741 O LEU A 46 13.120 1.698 1.555 1.00 0.00 O ATOM 742 CB LEU A 46 9.858 1.679 2.174 1.00 0.00 C ATOM 743 CG LEU A 46 8.894 2.791 1.769 1.00 0.00 C ATOM 744 CD1 LEU A 46 9.653 4.078 1.482 1.00 0.00 C ATOM 745 CD2 LEU A 46 8.074 2.373 0.557 1.00 0.00 C ATOM 0 H LEU A 46 9.467 -0.366 0.839 1.00 0.00 H new ATOM 0 HA LEU A 46 10.933 2.024 0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.277 0.820 2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.444 2.020 3.027 1.00 0.00 H new ATOM 0 HG LEU A 46 8.211 2.972 2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.949 4.859 1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.195 4.388 2.376 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.360 3.910 0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.393 3.179 0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.741 2.162 -0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.500 1.478 0.797 1.00 0.00 H new ATOM 757 N LYS A 47 12.284 -0.245 2.317 1.00 0.00 N ATOM 758 CA LYS A 47 13.533 -0.669 2.933 1.00 0.00 C ATOM 759 C LYS A 47 14.564 -1.028 1.870 1.00 0.00 C ATOM 760 O LYS A 47 15.766 -1.044 2.139 1.00 0.00 O ATOM 761 CB LYS A 47 13.292 -1.866 3.855 1.00 0.00 C ATOM 762 CG LYS A 47 14.279 -1.955 5.007 1.00 0.00 C ATOM 763 CD LYS A 47 15.463 -2.843 4.659 1.00 0.00 C ATOM 764 CE LYS A 47 15.284 -4.249 5.205 1.00 0.00 C ATOM 765 NZ LYS A 47 15.838 -4.387 6.581 1.00 0.00 N ATOM 0 H LYS A 47 11.515 -0.907 2.425 1.00 0.00 H new ATOM 0 HA LYS A 47 13.920 0.161 3.525 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.281 -1.806 4.258 1.00 0.00 H new ATOM 0 HB3 LYS A 47 13.348 -2.783 3.268 1.00 0.00 H new ATOM 0 HG2 LYS A 47 14.634 -0.956 5.261 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.775 -2.348 5.890 1.00 0.00 H new ATOM 0 HD2 LYS A 47 15.582 -2.884 3.576 1.00 0.00 H new ATOM 0 HD3 LYS A 47 16.377 -2.408 5.064 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.224 -4.503 5.214 1.00 0.00 H new ATOM 0 HE3 LYS A 47 15.777 -4.961 4.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.696 -5.361 6.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 16.855 -4.170 6.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 15.351 -3.726 7.219 1.00 0.00 H new ATOM 779 N GLU A 48 14.089 -1.319 0.662 1.00 0.00 N ATOM 780 CA GLU A 48 14.974 -1.677 -0.435 1.00 0.00 C ATOM 781 C GLU A 48 15.912 -0.520 -0.776 1.00 0.00 C ATOM 782 O GLU A 48 15.501 0.640 -0.776 1.00 0.00 O ATOM 783 CB GLU A 48 14.161 -2.073 -1.668 1.00 0.00 C ATOM 784 CG GLU A 48 13.860 -3.562 -1.747 1.00 0.00 C ATOM 785 CD GLU A 48 14.750 -4.285 -2.738 1.00 0.00 C ATOM 786 OE1 GLU A 48 14.562 -4.091 -3.957 1.00 0.00 O ATOM 787 OE2 GLU A 48 15.637 -5.044 -2.294 1.00 0.00 O ATOM 0 H GLU A 48 13.098 -1.313 0.421 1.00 0.00 H new ATOM 0 HA GLU A 48 15.576 -2.529 -0.120 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.221 -1.521 -1.666 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.705 -1.773 -2.563 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.985 -4.007 -0.760 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.817 -3.704 -2.030 1.00 0.00 H new ATOM 794 N PRO A 49 17.190 -0.819 -1.072 1.00 0.00 N ATOM 795 CA PRO A 49 18.179 0.208 -1.413 1.00 0.00 C ATOM 796 C PRO A 49 17.967 0.778 -2.811 1.00 0.00 C ATOM 797 O PRO A 49 18.007 1.992 -3.009 1.00 0.00 O ATOM 798 CB PRO A 49 19.507 -0.546 -1.337 1.00 0.00 C ATOM 799 CG PRO A 49 19.155 -1.960 -1.645 1.00 0.00 C ATOM 800 CD PRO A 49 17.771 -2.176 -1.094 1.00 0.00 C ATOM 0 HA PRO A 49 18.121 1.069 -0.747 1.00 0.00 H new ATOM 0 HB2 PRO A 49 20.228 -0.152 -2.053 1.00 0.00 H new ATOM 0 HB3 PRO A 49 19.958 -0.456 -0.349 1.00 0.00 H new ATOM 0 HG2 PRO A 49 19.179 -2.142 -2.719 1.00 0.00 H new ATOM 0 HG3 PRO A 49 19.868 -2.647 -1.189 1.00 0.00 H new ATOM 0 HD2 PRO A 49 17.190 -2.851 -1.723 1.00 0.00 H new ATOM 0 HD3 PRO A 49 17.801 -2.616 -0.097 1.00 0.00 H new ATOM 808 N LYS A 50 17.739 -0.105 -3.778 1.00 0.00 N ATOM 809 CA LYS A 50 17.520 0.313 -5.158 1.00 0.00 C ATOM 810 C LYS A 50 16.283 1.198 -5.265 1.00 0.00 C ATOM 811 O LYS A 50 16.222 2.098 -6.103 1.00 0.00 O ATOM 812 CB LYS A 50 17.368 -0.909 -6.066 1.00 0.00 C ATOM 813 CG LYS A 50 18.396 -1.997 -5.801 1.00 0.00 C ATOM 814 CD LYS A 50 17.790 -3.170 -5.048 1.00 0.00 C ATOM 815 CE LYS A 50 18.465 -4.479 -5.418 1.00 0.00 C ATOM 816 NZ LYS A 50 17.835 -5.112 -6.609 1.00 0.00 N ATOM 0 H LYS A 50 17.701 -1.114 -3.632 1.00 0.00 H new ATOM 0 HA LYS A 50 18.387 0.889 -5.480 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.369 -1.325 -5.936 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.448 -0.591 -7.105 1.00 0.00 H new ATOM 0 HG2 LYS A 50 18.809 -2.346 -6.747 1.00 0.00 H new ATOM 0 HG3 LYS A 50 19.224 -1.583 -5.225 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.884 -3.002 -3.975 1.00 0.00 H new ATOM 0 HD3 LYS A 50 16.725 -3.234 -5.269 1.00 0.00 H new ATOM 0 HE2 LYS A 50 19.521 -4.299 -5.619 1.00 0.00 H new ATOM 0 HE3 LYS A 50 18.414 -5.165 -4.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.325 -6.003 -6.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 16.833 -5.308 -6.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 17.906 -4.468 -7.423 1.00 0.00 H new ATOM 830 N MET A 51 15.300 0.936 -4.410 1.00 0.00 N ATOM 831 CA MET A 51 14.063 1.707 -4.406 1.00 0.00 C ATOM 832 C MET A 51 14.252 3.031 -3.673 1.00 0.00 C ATOM 833 O MET A 51 13.614 4.030 -4.002 1.00 0.00 O ATOM 834 CB MET A 51 12.942 0.904 -3.744 1.00 0.00 C ATOM 835 CG MET A 51 12.403 -0.221 -4.612 1.00 0.00 C ATOM 836 SD MET A 51 11.754 0.364 -6.190 1.00 0.00 S ATOM 837 CE MET A 51 10.333 1.307 -5.644 1.00 0.00 C ATOM 0 H MET A 51 15.337 0.195 -3.710 1.00 0.00 H new ATOM 0 HA MET A 51 13.791 1.918 -5.440 1.00 0.00 H new ATOM 0 HB2 MET A 51 13.311 0.484 -2.808 1.00 0.00 H new ATOM 0 HB3 MET A 51 12.125 1.579 -3.490 1.00 0.00 H new ATOM 0 HG2 MET A 51 13.198 -0.944 -4.797 1.00 0.00 H new ATOM 0 HG3 MET A 51 11.615 -0.745 -4.072 1.00 0.00 H new ATOM 0 HE1 MET A 51 10.352 2.294 -6.106 1.00 0.00 H new ATOM 0 HE2 MET A 51 9.419 0.788 -5.934 1.00 0.00 H new ATOM 0 HE3 MET A 51 10.362 1.413 -4.560 1.00 0.00 H new ATOM 847 N ALA A 52 15.131 3.029 -2.676 1.00 0.00 N ATOM 848 CA ALA A 52 15.404 4.229 -1.893 1.00 0.00 C ATOM 849 C ALA A 52 15.776 5.405 -2.792 1.00 0.00 C ATOM 850 O ALA A 52 15.542 6.563 -2.445 1.00 0.00 O ATOM 851 CB ALA A 52 16.511 3.959 -0.886 1.00 0.00 C ATOM 0 H ALA A 52 15.667 2.209 -2.391 1.00 0.00 H new ATOM 0 HA ALA A 52 14.494 4.495 -1.355 1.00 0.00 H new ATOM 0 HB1 ALA A 52 16.705 4.862 -0.308 1.00 0.00 H new ATOM 0 HB2 ALA A 52 16.204 3.157 -0.214 1.00 0.00 H new ATOM 0 HB3 ALA A 52 17.418 3.663 -1.413 1.00 0.00 H new ATOM 857 N ALA A 53 16.356 5.101 -3.949 1.00 0.00 N ATOM 858 CA ALA A 53 16.755 6.134 -4.896 1.00 0.00 C ATOM 859 C ALA A 53 15.592 6.552 -5.794 1.00 0.00 C ATOM 860 O ALA A 53 15.757 7.379 -6.690 1.00 0.00 O ATOM 861 CB ALA A 53 17.925 5.649 -5.738 1.00 0.00 C ATOM 0 H ALA A 53 16.560 4.149 -4.252 1.00 0.00 H new ATOM 0 HA ALA A 53 17.064 7.010 -4.325 1.00 0.00 H new ATOM 0 HB1 ALA A 53 18.215 6.429 -6.442 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.768 5.415 -5.088 1.00 0.00 H new ATOM 0 HB3 ALA A 53 17.632 4.755 -6.288 1.00 0.00 H new ATOM 867 N SER A 54 14.415 5.975 -5.554 1.00 0.00 N ATOM 868 CA SER A 54 13.234 6.293 -6.348 1.00 0.00 C ATOM 869 C SER A 54 12.058 6.682 -5.455 1.00 0.00 C ATOM 870 O SER A 54 11.310 7.607 -5.769 1.00 0.00 O ATOM 871 CB SER A 54 12.849 5.101 -7.226 1.00 0.00 C ATOM 872 OG SER A 54 13.923 4.720 -8.069 1.00 0.00 O ATOM 0 H SER A 54 14.256 5.287 -4.818 1.00 0.00 H new ATOM 0 HA SER A 54 13.477 7.144 -6.984 1.00 0.00 H new ATOM 0 HB2 SER A 54 12.561 4.259 -6.596 1.00 0.00 H new ATOM 0 HB3 SER A 54 11.980 5.357 -7.832 1.00 0.00 H new ATOM 0 HG SER A 54 13.652 3.955 -8.619 1.00 0.00 H new ATOM 878 N LEU A 55 11.898 5.969 -4.345 1.00 0.00 N ATOM 879 CA LEU A 55 10.809 6.241 -3.413 1.00 0.00 C ATOM 880 C LEU A 55 11.027 7.566 -2.690 1.00 0.00 C ATOM 881 O LEU A 55 10.071 8.251 -2.328 1.00 0.00 O ATOM 882 CB LEU A 55 10.686 5.106 -2.395 1.00 0.00 C ATOM 883 CG LEU A 55 10.082 3.811 -2.941 1.00 0.00 C ATOM 884 CD1 LEU A 55 10.004 2.757 -1.847 1.00 0.00 C ATOM 885 CD2 LEU A 55 8.705 4.073 -3.530 1.00 0.00 C ATOM 0 H LEU A 55 12.508 5.199 -4.069 1.00 0.00 H new ATOM 0 HA LEU A 55 9.884 6.309 -3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.676 4.887 -1.996 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.075 5.451 -1.561 1.00 0.00 H new ATOM 0 HG LEU A 55 10.729 3.436 -3.734 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.572 1.842 -2.253 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.005 2.549 -1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.379 3.123 -1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.290 3.141 -3.914 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.048 4.471 -2.757 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.788 4.795 -4.343 1.00 0.00 H new ATOM 897 N LEU A 56 12.291 7.921 -2.483 1.00 0.00 N ATOM 898 CA LEU A 56 12.634 9.165 -1.803 1.00 0.00 C ATOM 899 C LEU A 56 13.414 10.096 -2.727 1.00 0.00 C ATOM 900 O LEU A 56 14.183 10.940 -2.267 1.00 0.00 O ATOM 901 CB LEU A 56 13.454 8.870 -0.545 1.00 0.00 C ATOM 902 CG LEU A 56 13.792 10.095 0.313 1.00 0.00 C ATOM 903 CD1 LEU A 56 13.432 9.844 1.769 1.00 0.00 C ATOM 904 CD2 LEU A 56 15.267 10.455 0.179 1.00 0.00 C ATOM 0 H LEU A 56 13.094 7.365 -2.776 1.00 0.00 H new ATOM 0 HA LEU A 56 11.707 9.662 -1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.905 8.156 0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.384 8.386 -0.842 1.00 0.00 H new ATOM 0 HG LEU A 56 13.201 10.938 -0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 56 13.679 10.725 2.362 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.364 9.640 1.850 1.00 0.00 H new ATOM 0 HD13 LEU A 56 13.994 8.987 2.140 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.486 11.327 0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 56 15.878 9.615 0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 56 15.493 10.681 -0.863 1.00 0.00 H new ATOM 916 N ASN A 57 13.213 9.940 -4.031 1.00 0.00 N ATOM 917 CA ASN A 57 13.902 10.769 -5.009 1.00 0.00 C ATOM 918 C ASN A 57 12.972 11.849 -5.562 1.00 0.00 C ATOM 919 O ASN A 57 11.991 11.543 -6.238 1.00 0.00 O ATOM 920 CB ASN A 57 14.435 9.903 -6.153 1.00 0.00 C ATOM 921 CG ASN A 57 15.919 10.104 -6.389 1.00 0.00 C ATOM 922 OD1 ASN A 57 16.649 10.530 -5.494 1.00 0.00 O ATOM 923 ND2 ASN A 57 16.374 9.795 -7.598 1.00 0.00 N ATOM 0 H ASN A 57 12.580 9.249 -4.433 1.00 0.00 H new ATOM 0 HA ASN A 57 14.739 11.258 -4.510 1.00 0.00 H new ATOM 0 HB2 ASN A 57 14.245 8.853 -5.929 1.00 0.00 H new ATOM 0 HB3 ASN A 57 13.890 10.138 -7.067 1.00 0.00 H new ATOM 0 HD21 ASN A 57 17.364 9.908 -7.814 1.00 0.00 H new ATOM 0 HD22 ASN A 57 15.733 9.445 -8.310 1.00 0.00 H new ATOM 930 N PRO A 58 13.271 13.135 -5.289 1.00 0.00 N ATOM 931 CA PRO A 58 12.455 14.254 -5.775 1.00 0.00 C ATOM 932 C PRO A 58 12.394 14.310 -7.300 1.00 0.00 C ATOM 933 O PRO A 58 11.595 15.052 -7.874 1.00 0.00 O ATOM 934 CB PRO A 58 13.168 15.497 -5.226 1.00 0.00 C ATOM 935 CG PRO A 58 14.024 14.995 -4.113 1.00 0.00 C ATOM 936 CD PRO A 58 14.422 13.601 -4.497 1.00 0.00 C ATOM 0 HA PRO A 58 11.419 14.165 -5.448 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.768 15.980 -5.997 1.00 0.00 H new ATOM 0 HB3 PRO A 58 12.452 16.237 -4.869 1.00 0.00 H new ATOM 0 HG2 PRO A 58 14.901 15.628 -3.978 1.00 0.00 H new ATOM 0 HG3 PRO A 58 13.479 15.000 -3.169 1.00 0.00 H new ATOM 0 HD2 PRO A 58 15.344 13.590 -5.079 1.00 0.00 H new ATOM 0 HD3 PRO A 58 14.590 12.974 -3.622 1.00 0.00 H new ATOM 944 N TYR A 59 13.246 13.523 -7.950 1.00 0.00 N ATOM 945 CA TYR A 59 13.304 13.477 -9.404 1.00 0.00 C ATOM 946 C TYR A 59 12.167 12.636 -9.975 1.00 0.00 C ATOM 947 O TYR A 59 11.723 12.856 -11.101 1.00 0.00 O ATOM 948 CB TYR A 59 14.653 12.908 -9.846 1.00 0.00 C ATOM 949 CG TYR A 59 15.832 13.560 -9.157 1.00 0.00 C ATOM 950 CD1 TYR A 59 16.218 13.168 -7.880 1.00 0.00 C ATOM 951 CD2 TYR A 59 16.552 14.573 -9.777 1.00 0.00 C ATOM 952 CE1 TYR A 59 17.287 13.767 -7.242 1.00 0.00 C ATOM 953 CE2 TYR A 59 17.625 15.174 -9.145 1.00 0.00 C ATOM 954 CZ TYR A 59 17.987 14.769 -7.879 1.00 0.00 C ATOM 955 OH TYR A 59 19.053 15.367 -7.247 1.00 0.00 O ATOM 0 H TYR A 59 13.911 12.904 -7.486 1.00 0.00 H new ATOM 0 HA TYR A 59 13.194 14.492 -9.786 1.00 0.00 H new ATOM 0 HB2 TYR A 59 14.671 11.837 -9.646 1.00 0.00 H new ATOM 0 HB3 TYR A 59 14.757 13.033 -10.924 1.00 0.00 H new ATOM 0 HD1 TYR A 59 15.673 12.382 -7.378 1.00 0.00 H new ATOM 0 HD2 TYR A 59 16.269 14.896 -10.768 1.00 0.00 H new ATOM 0 HE1 TYR A 59 17.573 13.452 -6.249 1.00 0.00 H new ATOM 0 HE2 TYR A 59 18.177 15.958 -9.642 1.00 0.00 H new ATOM 0 HH TYR A 59 19.438 16.052 -7.832 1.00 0.00 H new ATOM 965 N VAL A 60 11.696 11.671 -9.190 1.00 0.00 N ATOM 966 CA VAL A 60 10.610 10.797 -9.619 1.00 0.00 C ATOM 967 C VAL A 60 9.335 11.591 -9.900 1.00 0.00 C ATOM 968 O VAL A 60 8.432 11.106 -10.581 1.00 0.00 O ATOM 969 CB VAL A 60 10.305 9.716 -8.566 1.00 0.00 C ATOM 970 CG1 VAL A 60 9.364 8.667 -9.136 1.00 0.00 C ATOM 971 CG2 VAL A 60 11.594 9.074 -8.071 1.00 0.00 C ATOM 0 H VAL A 60 12.050 11.475 -8.254 1.00 0.00 H new ATOM 0 HA VAL A 60 10.943 10.315 -10.538 1.00 0.00 H new ATOM 0 HB VAL A 60 9.813 10.190 -7.717 1.00 0.00 H new ATOM 0 HG11 VAL A 60 9.160 7.911 -8.378 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.430 9.141 -9.437 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.827 8.195 -10.003 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.359 8.312 -7.327 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.116 8.613 -8.909 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.231 9.836 -7.621 1.00 0.00 H new ATOM 981 N LYS A 61 9.266 12.812 -9.374 1.00 0.00 N ATOM 982 CA LYS A 61 8.100 13.663 -9.577 1.00 0.00 C ATOM 983 C LYS A 61 6.845 13.014 -9.000 1.00 0.00 C ATOM 984 O LYS A 61 6.915 11.964 -8.363 1.00 0.00 O ATOM 985 CB LYS A 61 7.904 13.949 -11.067 1.00 0.00 C ATOM 986 CG LYS A 61 8.500 15.274 -11.515 1.00 0.00 C ATOM 987 CD LYS A 61 9.946 15.113 -11.955 1.00 0.00 C ATOM 988 CE LYS A 61 10.530 16.431 -12.441 1.00 0.00 C ATOM 989 NZ LYS A 61 11.446 16.240 -13.599 1.00 0.00 N ATOM 0 H LYS A 61 10.002 13.232 -8.806 1.00 0.00 H new ATOM 0 HA LYS A 61 8.272 14.604 -9.054 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.355 13.143 -11.646 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.838 13.945 -11.292 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.911 15.680 -12.338 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.445 15.994 -10.698 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.541 14.735 -11.123 1.00 0.00 H new ATOM 0 HD3 LYS A 61 10.005 14.372 -12.752 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.721 17.103 -12.726 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.071 16.911 -11.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.822 17.162 -13.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 12.232 15.619 -13.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.924 15.806 -14.387 1.00 0.00 H new ATOM 1003 N ARG A 62 5.700 13.648 -9.229 1.00 0.00 N ATOM 1004 CA ARG A 62 4.430 13.133 -8.733 1.00 0.00 C ATOM 1005 C ARG A 62 3.698 12.351 -9.819 1.00 0.00 C ATOM 1006 O ARG A 62 3.397 11.170 -9.652 1.00 0.00 O ATOM 1007 CB ARG A 62 3.550 14.281 -8.233 1.00 0.00 C ATOM 1008 CG ARG A 62 2.208 13.827 -7.681 1.00 0.00 C ATOM 1009 CD ARG A 62 2.372 13.015 -6.406 1.00 0.00 C ATOM 1010 NE ARG A 62 2.495 13.867 -5.224 1.00 0.00 N ATOM 1011 CZ ARG A 62 3.653 14.332 -4.757 1.00 0.00 C ATOM 1012 NH1 ARG A 62 4.794 14.036 -5.367 1.00 0.00 N ATOM 1013 NH2 ARG A 62 3.668 15.097 -3.674 1.00 0.00 N ATOM 0 H ARG A 62 5.626 14.519 -9.755 1.00 0.00 H new ATOM 0 HA ARG A 62 4.640 12.458 -7.904 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.086 14.827 -7.457 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.378 14.979 -9.052 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.583 14.697 -7.481 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.690 13.228 -8.430 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.516 12.351 -6.287 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.256 12.383 -6.490 1.00 0.00 H new ATOM 0 HE ARG A 62 1.642 14.121 -4.726 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.789 13.448 -6.200 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.676 14.397 -5.002 1.00 0.00 H new ATOM 0 HH21 ARG A 62 2.795 15.328 -3.201 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.553 15.454 -3.314 1.00 0.00 H new ATOM 1027 N SER A 63 3.416 13.020 -10.933 1.00 0.00 N ATOM 1028 CA SER A 63 2.718 12.388 -12.048 1.00 0.00 C ATOM 1029 C SER A 63 3.526 11.223 -12.607 1.00 0.00 C ATOM 1030 O SER A 63 3.006 10.119 -12.776 1.00 0.00 O ATOM 1031 CB SER A 63 2.445 13.411 -13.152 1.00 0.00 C ATOM 1032 OG SER A 63 1.444 14.333 -12.757 1.00 0.00 O ATOM 0 H SER A 63 3.660 13.998 -11.088 1.00 0.00 H new ATOM 0 HA SER A 63 1.769 12.002 -11.677 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.364 13.947 -13.391 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.131 12.896 -14.060 1.00 0.00 H new ATOM 0 HG SER A 63 1.289 14.977 -13.479 1.00 0.00 H new ATOM 1038 N VAL A 64 4.801 11.472 -12.891 1.00 0.00 N ATOM 1039 CA VAL A 64 5.678 10.440 -13.429 1.00 0.00 C ATOM 1040 C VAL A 64 5.681 9.204 -12.535 1.00 0.00 C ATOM 1041 O VAL A 64 5.554 8.078 -13.016 1.00 0.00 O ATOM 1042 CB VAL A 64 7.123 10.955 -13.584 1.00 0.00 C ATOM 1043 CG1 VAL A 64 7.992 9.917 -14.277 1.00 0.00 C ATOM 1044 CG2 VAL A 64 7.139 12.269 -14.350 1.00 0.00 C ATOM 0 H VAL A 64 5.248 12.379 -12.757 1.00 0.00 H new ATOM 0 HA VAL A 64 5.290 10.173 -14.412 1.00 0.00 H new ATOM 0 HB VAL A 64 7.534 11.132 -12.590 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.007 10.300 -14.376 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.006 9.001 -13.686 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.586 9.704 -15.266 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.166 12.619 -14.451 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.708 12.118 -15.340 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.554 13.013 -13.809 1.00 0.00 H new ATOM 1054 N LYS A 65 5.821 9.423 -11.232 1.00 0.00 N ATOM 1055 CA LYS A 65 5.834 8.329 -10.267 1.00 0.00 C ATOM 1056 C LYS A 65 4.589 7.458 -10.417 1.00 0.00 C ATOM 1057 O LYS A 65 4.624 6.257 -10.143 1.00 0.00 O ATOM 1058 CB LYS A 65 5.916 8.878 -8.843 1.00 0.00 C ATOM 1059 CG LYS A 65 6.724 8.002 -7.899 1.00 0.00 C ATOM 1060 CD LYS A 65 5.826 7.199 -6.972 1.00 0.00 C ATOM 1061 CE LYS A 65 6.416 5.831 -6.675 1.00 0.00 C ATOM 1062 NZ LYS A 65 6.744 5.085 -7.921 1.00 0.00 N ATOM 0 H LYS A 65 5.927 10.350 -10.819 1.00 0.00 H new ATOM 0 HA LYS A 65 6.713 7.715 -10.463 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.360 9.873 -8.871 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.907 8.990 -8.447 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.350 7.323 -8.478 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.394 8.626 -7.307 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.682 7.745 -6.040 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.843 7.082 -7.427 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.318 5.947 -6.074 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.709 5.252 -6.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.398 4.108 -7.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.289 5.549 -8.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.775 5.077 -8.060 1.00 0.00 H new ATOM 1076 N VAL A 66 3.491 8.069 -10.851 1.00 0.00 N ATOM 1077 CA VAL A 66 2.238 7.346 -11.037 1.00 0.00 C ATOM 1078 C VAL A 66 2.396 6.227 -12.060 1.00 0.00 C ATOM 1079 O VAL A 66 1.949 5.102 -11.836 1.00 0.00 O ATOM 1080 CB VAL A 66 1.106 8.288 -11.490 1.00 0.00 C ATOM 1081 CG1 VAL A 66 -0.223 7.548 -11.531 1.00 0.00 C ATOM 1082 CG2 VAL A 66 1.021 9.499 -10.574 1.00 0.00 C ATOM 0 H VAL A 66 3.444 9.062 -11.080 1.00 0.00 H new ATOM 0 HA VAL A 66 1.975 6.916 -10.071 1.00 0.00 H new ATOM 0 HB VAL A 66 1.332 8.637 -12.498 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.010 8.230 -11.853 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.155 6.716 -12.232 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.458 7.167 -10.537 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.216 10.153 -10.909 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.821 9.170 -9.554 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.965 10.043 -10.601 1.00 0.00 H new ATOM 1092 N LYS A 67 3.036 6.540 -13.181 1.00 0.00 N ATOM 1093 CA LYS A 67 3.251 5.554 -14.234 1.00 0.00 C ATOM 1094 C LYS A 67 4.168 4.438 -13.745 1.00 0.00 C ATOM 1095 O LYS A 67 3.904 3.258 -13.974 1.00 0.00 O ATOM 1096 CB LYS A 67 3.851 6.219 -15.473 1.00 0.00 C ATOM 1097 CG LYS A 67 3.350 5.630 -16.782 1.00 0.00 C ATOM 1098 CD LYS A 67 3.446 6.635 -17.918 1.00 0.00 C ATOM 1099 CE LYS A 67 2.254 6.532 -18.856 1.00 0.00 C ATOM 1100 NZ LYS A 67 1.840 7.864 -19.377 1.00 0.00 N ATOM 0 H LYS A 67 3.414 7.465 -13.384 1.00 0.00 H new ATOM 0 HA LYS A 67 2.286 5.122 -14.499 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.620 7.284 -15.451 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.936 6.127 -15.435 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.933 4.743 -17.030 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.315 5.309 -16.665 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.502 7.644 -17.509 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.366 6.466 -18.477 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.505 5.878 -19.691 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.417 6.072 -18.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.025 7.750 -20.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.576 8.481 -18.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.630 8.293 -19.901 1.00 0.00 H new ATOM 1114 N SER A 68 5.243 4.821 -13.065 1.00 0.00 N ATOM 1115 CA SER A 68 6.194 3.852 -12.537 1.00 0.00 C ATOM 1116 C SER A 68 5.533 2.965 -11.486 1.00 0.00 C ATOM 1117 O SER A 68 5.946 1.826 -11.273 1.00 0.00 O ATOM 1118 CB SER A 68 7.402 4.568 -11.930 1.00 0.00 C ATOM 1119 OG SER A 68 7.007 5.441 -10.885 1.00 0.00 O ATOM 0 H SER A 68 5.477 5.794 -12.867 1.00 0.00 H new ATOM 0 HA SER A 68 6.532 3.223 -13.361 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.109 3.833 -11.546 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.920 5.134 -12.704 1.00 0.00 H new ATOM 0 HG SER A 68 6.031 5.421 -10.793 1.00 0.00 H new ATOM 1125 N LEU A 69 4.504 3.497 -10.831 1.00 0.00 N ATOM 1126 CA LEU A 69 3.787 2.754 -9.804 1.00 0.00 C ATOM 1127 C LEU A 69 3.040 1.569 -10.409 1.00 0.00 C ATOM 1128 O LEU A 69 2.878 0.531 -9.768 1.00 0.00 O ATOM 1129 CB LEU A 69 2.808 3.672 -9.070 1.00 0.00 C ATOM 1130 CG LEU A 69 3.395 4.415 -7.869 1.00 0.00 C ATOM 1131 CD1 LEU A 69 2.506 5.586 -7.479 1.00 0.00 C ATOM 1132 CD2 LEU A 69 3.577 3.465 -6.693 1.00 0.00 C ATOM 0 H LEU A 69 4.150 4.439 -10.995 1.00 0.00 H new ATOM 0 HA LEU A 69 4.517 2.371 -9.091 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.421 4.405 -9.778 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.960 3.077 -8.731 1.00 0.00 H new ATOM 0 HG LEU A 69 4.373 4.807 -8.149 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.940 6.103 -6.623 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.426 6.277 -8.318 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.514 5.218 -7.217 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.996 4.010 -5.847 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.611 3.045 -6.412 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.255 2.660 -6.977 1.00 0.00 H new ATOM 1144 N SER A 70 2.595 1.728 -11.650 1.00 0.00 N ATOM 1145 CA SER A 70 1.875 0.669 -12.343 1.00 0.00 C ATOM 1146 C SER A 70 2.851 -0.321 -12.968 1.00 0.00 C ATOM 1147 O SER A 70 2.549 -1.507 -13.101 1.00 0.00 O ATOM 1148 CB SER A 70 0.966 1.260 -13.423 1.00 0.00 C ATOM 1149 OG SER A 70 -0.022 0.328 -13.825 1.00 0.00 O ATOM 0 H SER A 70 2.721 2.580 -12.196 1.00 0.00 H new ATOM 0 HA SER A 70 1.259 0.141 -11.615 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.486 2.163 -13.045 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.565 1.555 -14.285 1.00 0.00 H new ATOM 0 HG SER A 70 -0.590 0.731 -14.514 1.00 0.00 H new ATOM 1155 N ASP A 71 4.025 0.175 -13.345 1.00 0.00 N ATOM 1156 CA ASP A 71 5.051 -0.667 -13.951 1.00 0.00 C ATOM 1157 C ASP A 71 5.940 -1.305 -12.886 1.00 0.00 C ATOM 1158 O ASP A 71 6.738 -2.192 -13.186 1.00 0.00 O ATOM 1159 CB ASP A 71 5.902 0.147 -14.926 1.00 0.00 C ATOM 1160 CG ASP A 71 5.333 0.145 -16.331 1.00 0.00 C ATOM 1161 OD1 ASP A 71 4.104 0.312 -16.474 1.00 0.00 O ATOM 1162 OD2 ASP A 71 6.116 -0.026 -17.289 1.00 0.00 O ATOM 0 H ASP A 71 4.290 1.155 -13.242 1.00 0.00 H new ATOM 0 HA ASP A 71 4.549 -1.464 -14.499 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.977 1.174 -14.569 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.914 -0.258 -14.946 1.00 0.00 H new ATOM 1167 N MET A 72 5.782 -0.869 -11.639 1.00 0.00 N ATOM 1168 CA MET A 72 6.556 -1.426 -10.539 1.00 0.00 C ATOM 1169 C MET A 72 5.733 -2.504 -9.854 1.00 0.00 C ATOM 1170 O MET A 72 6.264 -3.498 -9.359 1.00 0.00 O ATOM 1171 CB MET A 72 6.950 -0.334 -9.539 1.00 0.00 C ATOM 1172 CG MET A 72 5.804 0.131 -8.654 1.00 0.00 C ATOM 1173 SD MET A 72 6.321 1.348 -7.429 1.00 0.00 S ATOM 1174 CE MET A 72 5.273 0.900 -6.047 1.00 0.00 C ATOM 0 H MET A 72 5.128 -0.135 -11.368 1.00 0.00 H new ATOM 0 HA MET A 72 7.476 -1.861 -10.931 1.00 0.00 H new ATOM 0 HB2 MET A 72 7.756 -0.707 -8.907 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.344 0.522 -10.087 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.020 0.560 -9.278 1.00 0.00 H new ATOM 0 HG3 MET A 72 5.371 -0.730 -8.145 1.00 0.00 H new ATOM 0 HE1 MET A 72 5.274 1.706 -5.313 1.00 0.00 H new ATOM 0 HE2 MET A 72 4.256 0.732 -6.401 1.00 0.00 H new ATOM 0 HE3 MET A 72 5.651 -0.012 -5.584 1.00 0.00 H new ATOM 1184 N THR A 73 4.421 -2.297 -9.853 1.00 0.00 N ATOM 1185 CA THR A 73 3.496 -3.241 -9.262 1.00 0.00 C ATOM 1186 C THR A 73 3.545 -4.561 -10.028 1.00 0.00 C ATOM 1187 O THR A 73 3.454 -5.637 -9.437 1.00 0.00 O ATOM 1188 CB THR A 73 2.076 -2.658 -9.280 1.00 0.00 C ATOM 1189 OG1 THR A 73 1.801 -1.948 -8.091 1.00 0.00 O ATOM 1190 CG2 THR A 73 0.998 -3.693 -9.461 1.00 0.00 C ATOM 0 H THR A 73 3.977 -1.474 -10.260 1.00 0.00 H new ATOM 0 HA THR A 73 3.781 -3.429 -8.227 1.00 0.00 H new ATOM 0 HB THR A 73 2.059 -1.993 -10.144 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.331 -1.124 -8.072 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.023 -3.206 -9.464 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.147 -4.212 -10.408 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.043 -4.412 -8.643 1.00 0.00 H new ATOM 1198 N ALA A 74 3.692 -4.467 -11.348 1.00 0.00 N ATOM 1199 CA ALA A 74 3.755 -5.652 -12.195 1.00 0.00 C ATOM 1200 C ALA A 74 4.869 -6.586 -11.741 1.00 0.00 C ATOM 1201 O ALA A 74 4.777 -7.804 -11.902 1.00 0.00 O ATOM 1202 CB ALA A 74 3.957 -5.252 -13.650 1.00 0.00 C ATOM 0 H ALA A 74 3.769 -3.583 -11.852 1.00 0.00 H new ATOM 0 HA ALA A 74 2.808 -6.185 -12.107 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.002 -6.147 -14.270 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.125 -4.627 -13.974 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.889 -4.695 -13.748 1.00 0.00 H new ATOM 1208 N LYS A 75 5.920 -6.009 -11.168 1.00 0.00 N ATOM 1209 CA LYS A 75 7.050 -6.790 -10.685 1.00 0.00 C ATOM 1210 C LYS A 75 6.966 -6.988 -9.176 1.00 0.00 C ATOM 1211 O LYS A 75 7.447 -7.988 -8.643 1.00 0.00 O ATOM 1212 CB LYS A 75 8.368 -6.107 -11.052 1.00 0.00 C ATOM 1213 CG LYS A 75 8.600 -5.997 -12.550 1.00 0.00 C ATOM 1214 CD LYS A 75 9.730 -5.033 -12.870 1.00 0.00 C ATOM 1215 CE LYS A 75 9.540 -4.384 -14.232 1.00 0.00 C ATOM 1216 NZ LYS A 75 10.809 -3.802 -14.751 1.00 0.00 N ATOM 0 H LYS A 75 6.012 -5.003 -11.027 1.00 0.00 H new ATOM 0 HA LYS A 75 7.015 -7.768 -11.165 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.384 -5.108 -10.616 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.192 -6.663 -10.605 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.834 -6.981 -12.956 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.685 -5.661 -13.037 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.780 -4.261 -12.102 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.681 -5.565 -12.849 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.165 -5.125 -14.938 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.785 -3.602 -14.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.638 -3.369 -15.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.154 -3.077 -14.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.522 -4.553 -14.845 1.00 0.00 H new ATOM 1230 N GLU A 76 6.347 -6.032 -8.493 1.00 0.00 N ATOM 1231 CA GLU A 76 6.196 -6.108 -7.047 1.00 0.00 C ATOM 1232 C GLU A 76 5.232 -7.225 -6.667 1.00 0.00 C ATOM 1233 O GLU A 76 5.618 -8.191 -6.012 1.00 0.00 O ATOM 1234 CB GLU A 76 5.694 -4.773 -6.494 1.00 0.00 C ATOM 1235 CG GLU A 76 5.866 -4.636 -4.991 1.00 0.00 C ATOM 1236 CD GLU A 76 7.312 -4.773 -4.556 1.00 0.00 C ATOM 1237 OE1 GLU A 76 8.192 -4.199 -5.231 1.00 0.00 O ATOM 1238 OE2 GLU A 76 7.565 -5.452 -3.539 1.00 0.00 O ATOM 0 H GLU A 76 5.943 -5.197 -8.917 1.00 0.00 H new ATOM 0 HA GLU A 76 7.171 -6.326 -6.612 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.227 -3.961 -6.988 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.639 -4.660 -6.743 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.485 -3.666 -4.672 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.266 -5.395 -4.489 1.00 0.00 H new ATOM 1245 N LYS A 77 3.977 -7.081 -7.096 1.00 0.00 N ATOM 1246 CA LYS A 77 2.931 -8.069 -6.823 1.00 0.00 C ATOM 1247 C LYS A 77 1.546 -7.434 -6.957 1.00 0.00 C ATOM 1248 O LYS A 77 0.608 -8.072 -7.436 1.00 0.00 O ATOM 1249 CB LYS A 77 3.094 -8.680 -5.424 1.00 0.00 C ATOM 1250 CG LYS A 77 3.751 -10.050 -5.434 1.00 0.00 C ATOM 1251 CD LYS A 77 2.726 -11.159 -5.603 1.00 0.00 C ATOM 1252 CE LYS A 77 3.276 -12.304 -6.437 1.00 0.00 C ATOM 1253 NZ LYS A 77 2.286 -13.407 -6.589 1.00 0.00 N ATOM 0 H LYS A 77 3.658 -6.280 -7.640 1.00 0.00 H new ATOM 0 HA LYS A 77 3.029 -8.867 -7.558 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.689 -8.005 -4.808 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.114 -8.759 -4.954 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.479 -10.100 -6.244 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.299 -10.199 -4.504 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.427 -11.532 -4.623 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.831 -10.759 -6.078 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.559 -11.932 -7.422 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.182 -12.691 -5.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.700 -14.168 -7.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.034 -13.779 -5.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.432 -13.044 -7.058 1.00 0.00 H new ATOM 1267 N PHE A 78 1.430 -6.174 -6.530 1.00 0.00 N ATOM 1268 CA PHE A 78 0.175 -5.436 -6.596 1.00 0.00 C ATOM 1269 C PHE A 78 -0.540 -5.642 -7.910 1.00 0.00 C ATOM 1270 O PHE A 78 0.016 -6.209 -8.851 1.00 0.00 O ATOM 1271 CB PHE A 78 0.446 -3.955 -6.390 1.00 0.00 C ATOM 1272 CG PHE A 78 1.309 -3.696 -5.207 1.00 0.00 C ATOM 1273 CD1 PHE A 78 0.999 -4.250 -3.981 1.00 0.00 C ATOM 1274 CD2 PHE A 78 2.445 -2.922 -5.329 1.00 0.00 C ATOM 1275 CE1 PHE A 78 1.815 -4.032 -2.894 1.00 0.00 C ATOM 1276 CE2 PHE A 78 3.262 -2.696 -4.244 1.00 0.00 C ATOM 1277 CZ PHE A 78 2.948 -3.256 -3.022 1.00 0.00 C ATOM 0 H PHE A 78 2.203 -5.642 -6.131 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.473 -5.816 -5.806 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.924 -3.548 -7.281 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.501 -3.429 -6.268 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.112 -4.857 -3.874 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.696 -2.489 -6.286 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.567 -4.470 -1.938 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.145 -2.083 -4.349 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.588 -3.087 -2.168 1.00 0.00 H new ATOM 1287 N SER A 79 -1.770 -5.151 -7.977 1.00 0.00 N ATOM 1288 CA SER A 79 -2.556 -5.257 -9.197 1.00 0.00 C ATOM 1289 C SER A 79 -4.051 -5.113 -8.947 1.00 0.00 C ATOM 1290 O SER A 79 -4.740 -4.422 -9.697 1.00 0.00 O ATOM 1291 CB SER A 79 -2.292 -6.585 -9.916 1.00 0.00 C ATOM 1292 OG SER A 79 -1.320 -6.430 -10.936 1.00 0.00 O ATOM 0 H SER A 79 -2.242 -4.679 -7.206 1.00 0.00 H new ATOM 0 HA SER A 79 -2.237 -4.429 -9.829 1.00 0.00 H new ATOM 0 HB2 SER A 79 -1.953 -7.330 -9.197 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.220 -6.959 -10.348 1.00 0.00 H new ATOM 0 HG SER A 79 -0.452 -6.222 -10.532 1.00 0.00 H new ATOM 1298 N PRO A 80 -4.599 -5.813 -7.943 1.00 0.00 N ATOM 1299 CA PRO A 80 -6.020 -5.791 -7.673 1.00 0.00 C ATOM 1300 C PRO A 80 -6.452 -4.873 -6.535 1.00 0.00 C ATOM 1301 O PRO A 80 -7.017 -3.808 -6.782 1.00 0.00 O ATOM 1302 CB PRO A 80 -6.289 -7.253 -7.323 1.00 0.00 C ATOM 1303 CG PRO A 80 -4.990 -7.780 -6.767 1.00 0.00 C ATOM 1304 CD PRO A 80 -3.918 -6.745 -7.047 1.00 0.00 C ATOM 0 HA PRO A 80 -6.581 -5.394 -8.519 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.093 -7.340 -6.592 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.597 -7.817 -8.203 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.077 -7.961 -5.696 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.733 -8.732 -7.231 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.580 -6.255 -6.134 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.039 -7.188 -7.515 1.00 0.00 H new ATOM 1312 N LEU A 81 -6.207 -5.275 -5.292 1.00 0.00 N ATOM 1313 CA LEU A 81 -6.604 -4.453 -4.161 1.00 0.00 C ATOM 1314 C LEU A 81 -5.466 -3.546 -3.763 1.00 0.00 C ATOM 1315 O LEU A 81 -5.547 -2.803 -2.785 1.00 0.00 O ATOM 1316 CB LEU A 81 -7.029 -5.321 -2.983 1.00 0.00 C ATOM 1317 CG LEU A 81 -8.364 -6.045 -3.165 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -9.498 -5.042 -3.308 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -8.311 -6.964 -4.376 1.00 0.00 C ATOM 0 H LEU A 81 -5.743 -6.150 -5.047 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.458 -3.844 -4.456 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.252 -6.063 -2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.090 -4.695 -2.093 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.550 -6.652 -2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.440 -5.574 -3.437 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.551 -4.422 -2.413 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.317 -4.410 -4.177 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.269 -7.471 -4.490 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.103 -6.376 -5.270 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.523 -7.704 -4.237 1.00 0.00 H new ATOM 1331 N THR A 82 -4.400 -3.614 -4.542 1.00 0.00 N ATOM 1332 CA THR A 82 -3.231 -2.816 -4.302 1.00 0.00 C ATOM 1333 C THR A 82 -2.932 -1.917 -5.488 1.00 0.00 C ATOM 1334 O THR A 82 -2.019 -1.100 -5.436 1.00 0.00 O ATOM 1335 CB THR A 82 -2.052 -3.714 -3.989 1.00 0.00 C ATOM 1336 OG1 THR A 82 -2.471 -5.059 -3.825 1.00 0.00 O ATOM 1337 CG2 THR A 82 -1.346 -3.292 -2.720 1.00 0.00 C ATOM 0 H THR A 82 -4.330 -4.226 -5.355 1.00 0.00 H new ATOM 0 HA THR A 82 -3.417 -2.172 -3.443 1.00 0.00 H new ATOM 0 HB THR A 82 -1.367 -3.628 -4.833 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.842 -5.179 -2.926 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.507 -3.961 -2.531 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.979 -2.272 -2.830 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.043 -3.339 -1.883 1.00 0.00 H new ATOM 1345 N SER A 83 -3.715 -2.044 -6.560 1.00 0.00 N ATOM 1346 CA SER A 83 -3.501 -1.204 -7.724 1.00 0.00 C ATOM 1347 C SER A 83 -4.282 0.101 -7.605 1.00 0.00 C ATOM 1348 O SER A 83 -4.625 0.734 -8.603 1.00 0.00 O ATOM 1349 CB SER A 83 -3.904 -1.927 -9.004 1.00 0.00 C ATOM 1350 OG SER A 83 -2.773 -2.467 -9.662 1.00 0.00 O ATOM 0 H SER A 83 -4.486 -2.707 -6.641 1.00 0.00 H new ATOM 0 HA SER A 83 -2.436 -0.976 -7.770 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.607 -2.726 -8.768 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.420 -1.235 -9.669 1.00 0.00 H new ATOM 0 HG SER A 83 -3.022 -2.742 -10.569 1.00 0.00 H new ATOM 1356 N ASN A 84 -4.536 0.496 -6.371 1.00 0.00 N ATOM 1357 CA ASN A 84 -5.250 1.724 -6.067 1.00 0.00 C ATOM 1358 C ASN A 84 -4.558 2.362 -4.888 1.00 0.00 C ATOM 1359 O ASN A 84 -4.214 3.543 -4.906 1.00 0.00 O ATOM 1360 CB ASN A 84 -6.718 1.440 -5.746 1.00 0.00 C ATOM 1361 CG ASN A 84 -7.589 1.417 -6.987 1.00 0.00 C ATOM 1362 OD1 ASN A 84 -7.719 2.422 -7.686 1.00 0.00 O ATOM 1363 ND2 ASN A 84 -8.192 0.267 -7.266 1.00 0.00 N ATOM 0 H ASN A 84 -4.251 -0.030 -5.545 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.239 2.393 -6.927 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -6.796 0.481 -5.233 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.090 2.200 -5.059 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.791 0.192 -8.088 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -8.056 -0.541 -6.658 1.00 0.00 H new ATOM 1370 N LEU A 85 -4.297 1.534 -3.884 1.00 0.00 N ATOM 1371 CA LEU A 85 -3.577 1.975 -2.716 1.00 0.00 C ATOM 1372 C LEU A 85 -2.141 2.276 -3.130 1.00 0.00 C ATOM 1373 O LEU A 85 -1.421 2.989 -2.433 1.00 0.00 O ATOM 1374 CB LEU A 85 -3.612 0.897 -1.623 1.00 0.00 C ATOM 1375 CG LEU A 85 -2.543 1.027 -0.533 1.00 0.00 C ATOM 1376 CD1 LEU A 85 -2.846 2.210 0.373 1.00 0.00 C ATOM 1377 CD2 LEU A 85 -2.449 -0.259 0.277 1.00 0.00 C ATOM 0 H LEU A 85 -4.577 0.554 -3.864 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.041 2.872 -2.306 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.593 0.917 -1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.506 -0.079 -2.096 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.580 1.202 -1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.076 2.287 1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.862 3.126 -0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.817 2.067 0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.685 -0.149 1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.411 -0.464 0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.184 -1.086 -0.382 1.00 0.00 H new ATOM 1389 N ILE A 86 -1.729 1.731 -4.287 1.00 0.00 N ATOM 1390 CA ILE A 86 -0.388 1.958 -4.784 1.00 0.00 C ATOM 1391 C ILE A 86 -0.198 3.427 -5.151 1.00 0.00 C ATOM 1392 O ILE A 86 0.761 4.066 -4.721 1.00 0.00 O ATOM 1393 CB ILE A 86 -0.067 1.049 -6.000 1.00 0.00 C ATOM 1394 CG1 ILE A 86 0.926 -0.038 -5.589 1.00 0.00 C ATOM 1395 CG2 ILE A 86 0.486 1.848 -7.175 1.00 0.00 C ATOM 1396 CD1 ILE A 86 0.429 -0.910 -4.458 1.00 0.00 C ATOM 0 H ILE A 86 -2.309 1.138 -4.881 1.00 0.00 H new ATOM 0 HA ILE A 86 0.309 1.700 -3.986 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.999 0.588 -6.326 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.144 -0.666 -6.453 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.864 0.431 -5.291 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.698 1.175 -8.006 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.248 2.590 -7.488 1.00 0.00 H new ATOM 0 HG23 ILE A 86 1.405 2.351 -6.873 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.183 -1.659 -4.218 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.238 -0.293 -3.580 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.493 -1.407 -4.760 1.00 0.00 H new ATOM 1408 N ASN A 87 -1.128 3.955 -5.941 1.00 0.00 N ATOM 1409 CA ASN A 87 -1.069 5.350 -6.354 1.00 0.00 C ATOM 1410 C ASN A 87 -1.433 6.266 -5.192 1.00 0.00 C ATOM 1411 O ASN A 87 -0.992 7.413 -5.130 1.00 0.00 O ATOM 1412 CB ASN A 87 -2.013 5.598 -7.532 1.00 0.00 C ATOM 1413 CG ASN A 87 -1.451 5.081 -8.843 1.00 0.00 C ATOM 1414 OD1 ASN A 87 -0.358 5.467 -9.257 1.00 0.00 O ATOM 1415 ND2 ASN A 87 -2.199 4.205 -9.503 1.00 0.00 N ATOM 0 H ASN A 87 -1.928 3.439 -6.306 1.00 0.00 H new ATOM 0 HA ASN A 87 -0.049 5.572 -6.668 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.970 5.115 -7.335 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -2.207 6.667 -7.620 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -1.874 3.824 -10.391 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.099 3.913 -9.122 1.00 0.00 H new ATOM 1422 N LEU A 88 -2.236 5.745 -4.269 1.00 0.00 N ATOM 1423 CA LEU A 88 -2.657 6.508 -3.102 1.00 0.00 C ATOM 1424 C LEU A 88 -1.529 6.593 -2.081 1.00 0.00 C ATOM 1425 O LEU A 88 -1.419 7.575 -1.347 1.00 0.00 O ATOM 1426 CB LEU A 88 -3.895 5.872 -2.468 1.00 0.00 C ATOM 1427 CG LEU A 88 -4.937 6.863 -1.948 1.00 0.00 C ATOM 1428 CD1 LEU A 88 -6.338 6.285 -2.080 1.00 0.00 C ATOM 1429 CD2 LEU A 88 -4.646 7.231 -0.500 1.00 0.00 C ATOM 0 H LEU A 88 -2.608 4.796 -4.308 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.908 7.518 -3.426 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.369 5.223 -3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.576 5.237 -1.642 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.881 7.769 -2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.065 7.005 -1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.546 6.072 -3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.408 5.364 -1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.397 7.937 -0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.674 6.332 0.116 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.659 7.687 -0.432 1.00 0.00 H new ATOM 1441 N LEU A 89 -0.690 5.561 -2.039 1.00 0.00 N ATOM 1442 CA LEU A 89 0.428 5.537 -1.105 1.00 0.00 C ATOM 1443 C LEU A 89 1.478 6.567 -1.504 1.00 0.00 C ATOM 1444 O LEU A 89 2.061 7.237 -0.652 1.00 0.00 O ATOM 1445 CB LEU A 89 1.050 4.140 -1.050 1.00 0.00 C ATOM 1446 CG LEU A 89 0.808 3.382 0.257 1.00 0.00 C ATOM 1447 CD1 LEU A 89 0.685 1.890 -0.004 1.00 0.00 C ATOM 1448 CD2 LEU A 89 1.928 3.666 1.246 1.00 0.00 C ATOM 0 H LEU A 89 -0.763 4.737 -2.636 1.00 0.00 H new ATOM 0 HA LEU A 89 0.053 5.789 -0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.654 3.548 -1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.125 4.229 -1.208 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.131 3.728 0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.513 1.369 0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.152 1.706 -0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.605 1.523 -0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.743 3.121 2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.879 3.346 0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.965 4.735 1.456 1.00 0.00 H new ATOM 1460 N ALA A 90 1.709 6.693 -2.807 1.00 0.00 N ATOM 1461 CA ALA A 90 2.682 7.647 -3.320 1.00 0.00 C ATOM 1462 C ALA A 90 2.006 8.947 -3.749 1.00 0.00 C ATOM 1463 O ALA A 90 2.580 9.734 -4.503 1.00 0.00 O ATOM 1464 CB ALA A 90 3.451 7.041 -4.484 1.00 0.00 C ATOM 0 H ALA A 90 1.235 6.146 -3.526 1.00 0.00 H new ATOM 0 HA ALA A 90 3.382 7.881 -2.518 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.175 7.765 -4.858 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.974 6.145 -4.148 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.756 6.778 -5.281 1.00 0.00 H new ATOM 1470 N GLU A 91 0.786 9.168 -3.266 1.00 0.00 N ATOM 1471 CA GLU A 91 0.040 10.375 -3.604 1.00 0.00 C ATOM 1472 C GLU A 91 0.252 11.458 -2.550 1.00 0.00 C ATOM 1473 O GLU A 91 0.656 12.576 -2.867 1.00 0.00 O ATOM 1474 CB GLU A 91 -1.452 10.057 -3.736 1.00 0.00 C ATOM 1475 CG GLU A 91 -2.060 10.527 -5.047 1.00 0.00 C ATOM 1476 CD GLU A 91 -1.410 9.882 -6.256 1.00 0.00 C ATOM 1477 OE1 GLU A 91 -0.306 10.319 -6.640 1.00 0.00 O ATOM 1478 OE2 GLU A 91 -2.007 8.939 -6.817 1.00 0.00 O ATOM 0 H GLU A 91 0.295 8.529 -2.641 1.00 0.00 H new ATOM 0 HA GLU A 91 0.410 10.747 -4.559 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.595 8.980 -3.644 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.989 10.522 -2.909 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -3.127 10.303 -5.050 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.962 11.610 -5.121 1.00 0.00 H new ATOM 1485 N ASN A 92 -0.023 11.116 -1.295 1.00 0.00 N ATOM 1486 CA ASN A 92 0.137 12.059 -0.195 1.00 0.00 C ATOM 1487 C ASN A 92 1.498 11.888 0.475 1.00 0.00 C ATOM 1488 O ASN A 92 2.061 12.843 1.010 1.00 0.00 O ATOM 1489 CB ASN A 92 -0.978 11.868 0.834 1.00 0.00 C ATOM 1490 CG ASN A 92 -1.284 13.142 1.598 1.00 0.00 C ATOM 1491 OD1 ASN A 92 -0.502 14.093 1.581 1.00 0.00 O ATOM 1492 ND2 ASN A 92 -2.427 13.166 2.274 1.00 0.00 N ATOM 0 H ASN A 92 -0.357 10.194 -1.015 1.00 0.00 H new ATOM 0 HA ASN A 92 0.077 13.068 -0.603 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.881 11.525 0.328 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -0.690 11.086 1.537 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -2.687 13.996 2.807 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.045 12.355 2.260 1.00 0.00 H new ATOM 1499 N GLY A 93 2.019 10.666 0.442 1.00 0.00 N ATOM 1500 CA GLY A 93 3.309 10.393 1.050 1.00 0.00 C ATOM 1501 C GLY A 93 3.217 9.387 2.180 1.00 0.00 C ATOM 1502 O GLY A 93 3.954 9.477 3.162 1.00 0.00 O ATOM 0 H GLY A 93 1.572 9.860 0.005 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.994 10.018 0.289 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.732 11.323 1.429 1.00 0.00 H new ATOM 1506 N ARG A 94 2.309 8.426 2.041 1.00 0.00 N ATOM 1507 CA ARG A 94 2.123 7.398 3.060 1.00 0.00 C ATOM 1508 C ARG A 94 3.387 6.561 3.230 1.00 0.00 C ATOM 1509 O ARG A 94 3.603 5.955 4.280 1.00 0.00 O ATOM 1510 CB ARG A 94 0.944 6.495 2.694 1.00 0.00 C ATOM 1511 CG ARG A 94 -0.390 6.991 3.226 1.00 0.00 C ATOM 1512 CD ARG A 94 -0.510 6.769 4.725 1.00 0.00 C ATOM 1513 NE ARG A 94 0.101 7.853 5.491 1.00 0.00 N ATOM 1514 CZ ARG A 94 -0.480 9.031 5.699 1.00 0.00 C ATOM 1515 NH1 ARG A 94 -1.686 9.283 5.203 1.00 0.00 N ATOM 1516 NH2 ARG A 94 0.145 9.963 6.407 1.00 0.00 N ATOM 0 H ARG A 94 1.691 8.337 1.234 1.00 0.00 H new ATOM 0 HA ARG A 94 1.911 7.896 4.006 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.884 6.411 1.609 1.00 0.00 H new ATOM 0 HB3 ARG A 94 1.130 5.493 3.081 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.499 8.053 3.005 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.202 6.474 2.715 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -1.562 6.683 4.995 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -0.034 5.825 4.991 1.00 0.00 H new ATOM 0 HE ARG A 94 1.027 7.697 5.889 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -2.173 8.571 4.659 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -2.126 10.189 5.367 1.00 0.00 H new ATOM 0 HH21 ARG A 94 1.071 9.776 6.792 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -0.301 10.867 6.567 1.00 0.00 H new ATOM 1530 N LEU A 95 4.221 6.530 2.194 1.00 0.00 N ATOM 1531 CA LEU A 95 5.463 5.765 2.239 1.00 0.00 C ATOM 1532 C LEU A 95 6.316 6.187 3.431 1.00 0.00 C ATOM 1533 O LEU A 95 5.908 7.034 4.224 1.00 0.00 O ATOM 1534 CB LEU A 95 6.252 5.948 0.939 1.00 0.00 C ATOM 1535 CG LEU A 95 5.688 5.208 -0.278 1.00 0.00 C ATOM 1536 CD1 LEU A 95 5.385 3.756 0.063 1.00 0.00 C ATOM 1537 CD2 LEU A 95 4.440 5.909 -0.794 1.00 0.00 C ATOM 0 H LEU A 95 4.060 7.024 1.316 1.00 0.00 H new ATOM 0 HA LEU A 95 5.207 4.711 2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.298 7.012 0.708 1.00 0.00 H new ATOM 0 HB3 LEU A 95 7.276 5.614 1.105 1.00 0.00 H new ATOM 0 HG LEU A 95 6.442 5.220 -1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.986 3.251 -0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.301 3.259 0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.651 3.717 0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.052 5.371 -1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.684 5.929 -0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.690 6.930 -1.084 1.00 0.00 H new ATOM 1549 N THR A 96 7.492 5.576 3.556 1.00 0.00 N ATOM 1550 CA THR A 96 8.413 5.863 4.659 1.00 0.00 C ATOM 1551 C THR A 96 7.965 5.122 5.911 1.00 0.00 C ATOM 1552 O THR A 96 8.711 4.320 6.473 1.00 0.00 O ATOM 1553 CB THR A 96 8.516 7.370 4.938 1.00 0.00 C ATOM 1554 OG1 THR A 96 7.500 7.794 5.830 1.00 0.00 O ATOM 1555 CG2 THR A 96 8.423 8.226 3.692 1.00 0.00 C ATOM 0 H THR A 96 7.834 4.872 2.902 1.00 0.00 H new ATOM 0 HA THR A 96 9.405 5.517 4.368 1.00 0.00 H new ATOM 0 HB THR A 96 9.505 7.506 5.376 1.00 0.00 H new ATOM 0 HG1 THR A 96 6.644 7.835 5.355 1.00 0.00 H new ATOM 0 HG21 THR A 96 8.503 9.278 3.966 1.00 0.00 H new ATOM 0 HG22 THR A 96 9.233 7.966 3.010 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.466 8.051 3.201 1.00 0.00 H new ATOM 1563 N ASN A 97 6.729 5.376 6.327 1.00 0.00 N ATOM 1564 CA ASN A 97 6.164 4.712 7.492 1.00 0.00 C ATOM 1565 C ASN A 97 5.278 3.552 7.047 1.00 0.00 C ATOM 1566 O ASN A 97 4.325 3.184 7.733 1.00 0.00 O ATOM 1567 CB ASN A 97 5.356 5.702 8.333 1.00 0.00 C ATOM 1568 CG ASN A 97 6.214 6.813 8.902 1.00 0.00 C ATOM 1569 OD1 ASN A 97 6.326 7.911 8.164 1.00 0.00 O flip ATOM 1570 ND2 ASN A 97 6.771 6.687 9.993 1.00 0.00 N flip ATOM 0 H ASN A 97 6.100 6.038 5.873 1.00 0.00 H new ATOM 0 HA ASN A 97 6.978 4.324 8.105 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.566 6.135 7.720 1.00 0.00 H new ATOM 0 HB3 ASN A 97 4.869 5.168 9.149 1.00 0.00 H new ATOM 0 HD21 ASN A 97 6.658 5.825 10.527 1.00 0.00 H new ATOM 0 HD22 ASN A 97 7.346 7.444 10.363 1.00 0.00 H new ATOM 1577 N THR A 98 5.599 2.991 5.879 1.00 0.00 N ATOM 1578 CA THR A 98 4.836 1.882 5.314 1.00 0.00 C ATOM 1579 C THR A 98 4.473 0.824 6.364 1.00 0.00 C ATOM 1580 O THR A 98 3.322 0.394 6.430 1.00 0.00 O ATOM 1581 CB THR A 98 5.588 1.236 4.140 1.00 0.00 C ATOM 1582 OG1 THR A 98 5.096 -0.068 3.887 1.00 0.00 O ATOM 1583 CG2 THR A 98 7.087 1.124 4.340 1.00 0.00 C ATOM 0 H THR A 98 6.387 3.291 5.305 1.00 0.00 H new ATOM 0 HA THR A 98 3.902 2.304 4.944 1.00 0.00 H new ATOM 0 HB THR A 98 5.410 1.908 3.300 1.00 0.00 H new ATOM 0 HG1 THR A 98 4.475 -0.042 3.129 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.537 0.657 3.464 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.511 2.119 4.479 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.292 0.516 5.221 1.00 0.00 H new ATOM 1591 N PRO A 99 5.431 0.376 7.203 1.00 0.00 N ATOM 1592 CA PRO A 99 5.163 -0.636 8.230 1.00 0.00 C ATOM 1593 C PRO A 99 3.901 -0.337 9.033 1.00 0.00 C ATOM 1594 O PRO A 99 3.267 -1.245 9.570 1.00 0.00 O ATOM 1595 CB PRO A 99 6.404 -0.588 9.138 1.00 0.00 C ATOM 1596 CG PRO A 99 7.200 0.588 8.677 1.00 0.00 C ATOM 1597 CD PRO A 99 6.837 0.798 7.237 1.00 0.00 C ATOM 0 HA PRO A 99 4.990 -1.616 7.785 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.119 -0.481 10.185 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.983 -1.508 9.058 1.00 0.00 H new ATOM 0 HG2 PRO A 99 6.968 1.472 9.270 1.00 0.00 H new ATOM 0 HG3 PRO A 99 8.268 0.402 8.786 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.956 1.839 6.935 1.00 0.00 H new ATOM 0 HD3 PRO A 99 7.457 0.199 6.570 1.00 0.00 H new ATOM 1605 N ALA A 100 3.538 0.939 9.113 1.00 0.00 N ATOM 1606 CA ALA A 100 2.351 1.348 9.852 1.00 0.00 C ATOM 1607 C ALA A 100 1.084 1.095 9.043 1.00 0.00 C ATOM 1608 O ALA A 100 0.033 0.780 9.602 1.00 0.00 O ATOM 1609 CB ALA A 100 2.451 2.815 10.246 1.00 0.00 C ATOM 0 H ALA A 100 4.049 1.706 8.676 1.00 0.00 H new ATOM 0 HA ALA A 100 2.294 0.746 10.759 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.557 3.105 10.797 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.329 2.964 10.874 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.539 3.428 9.349 1.00 0.00 H new ATOM 1615 N VAL A 101 1.185 1.233 7.725 1.00 0.00 N ATOM 1616 CA VAL A 101 0.041 1.016 6.848 1.00 0.00 C ATOM 1617 C VAL A 101 -0.177 -0.473 6.582 1.00 0.00 C ATOM 1618 O VAL A 101 -1.279 -0.893 6.227 1.00 0.00 O ATOM 1619 CB VAL A 101 0.201 1.769 5.506 1.00 0.00 C ATOM 1620 CG1 VAL A 101 1.252 1.110 4.621 1.00 0.00 C ATOM 1621 CG2 VAL A 101 -1.137 1.855 4.784 1.00 0.00 C ATOM 0 H VAL A 101 2.045 1.493 7.242 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.833 1.413 7.364 1.00 0.00 H new ATOM 0 HB VAL A 101 0.544 2.780 5.726 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.340 1.664 3.686 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.213 1.111 5.135 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.956 0.083 4.408 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.008 2.387 3.842 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.508 0.850 4.585 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.853 2.390 5.408 1.00 0.00 H new ATOM 1631 N ILE A 102 0.878 -1.265 6.757 1.00 0.00 N ATOM 1632 CA ILE A 102 0.797 -2.704 6.537 1.00 0.00 C ATOM 1633 C ILE A 102 0.378 -3.433 7.809 1.00 0.00 C ATOM 1634 O ILE A 102 -0.307 -4.455 7.752 1.00 0.00 O ATOM 1635 CB ILE A 102 2.144 -3.279 6.058 1.00 0.00 C ATOM 1636 CG1 ILE A 102 2.717 -2.428 4.923 1.00 0.00 C ATOM 1637 CG2 ILE A 102 1.975 -4.723 5.610 1.00 0.00 C ATOM 1638 CD1 ILE A 102 4.129 -2.812 4.535 1.00 0.00 C ATOM 0 H ILE A 102 1.797 -0.934 7.050 1.00 0.00 H new ATOM 0 HA ILE A 102 0.045 -2.860 5.763 1.00 0.00 H new ATOM 0 HB ILE A 102 2.846 -3.256 6.892 1.00 0.00 H new ATOM 0 HG12 ILE A 102 2.071 -2.519 4.050 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.703 -1.380 5.222 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.935 -5.115 5.275 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.610 -5.322 6.444 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.258 -4.768 4.790 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.472 -2.168 3.725 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.788 -2.694 5.396 1.00 0.00 H new ATOM 0 HD13 ILE A 102 4.146 -3.851 4.205 1.00 0.00 H new ATOM 1650 N SER A 103 0.796 -2.906 8.955 1.00 0.00 N ATOM 1651 CA SER A 103 0.465 -3.514 10.239 1.00 0.00 C ATOM 1652 C SER A 103 -0.919 -3.084 10.711 1.00 0.00 C ATOM 1653 O SER A 103 -1.600 -3.824 11.420 1.00 0.00 O ATOM 1654 CB SER A 103 1.513 -3.140 11.289 1.00 0.00 C ATOM 1655 OG SER A 103 2.826 -3.363 10.802 1.00 0.00 O ATOM 0 H SER A 103 1.363 -2.061 9.021 1.00 0.00 H new ATOM 0 HA SER A 103 0.461 -4.596 10.106 1.00 0.00 H new ATOM 0 HB2 SER A 103 1.397 -2.092 11.565 1.00 0.00 H new ATOM 0 HB3 SER A 103 1.352 -3.728 12.193 1.00 0.00 H new ATOM 0 HG SER A 103 3.229 -2.508 10.544 1.00 0.00 H new ATOM 1661 N ALA A 104 -1.332 -1.885 10.312 1.00 0.00 N ATOM 1662 CA ALA A 104 -2.637 -1.365 10.698 1.00 0.00 C ATOM 1663 C ALA A 104 -3.757 -2.093 9.962 1.00 0.00 C ATOM 1664 O ALA A 104 -4.879 -2.186 10.459 1.00 0.00 O ATOM 1665 CB ALA A 104 -2.710 0.131 10.430 1.00 0.00 C ATOM 0 H ALA A 104 -0.783 -1.258 9.724 1.00 0.00 H new ATOM 0 HA ALA A 104 -2.768 -1.537 11.766 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -3.691 0.506 10.723 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -1.939 0.642 11.007 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -2.553 0.318 9.368 1.00 0.00 H new ATOM 1671 N PHE A 105 -3.447 -2.609 8.777 1.00 0.00 N ATOM 1672 CA PHE A 105 -4.433 -3.328 7.978 1.00 0.00 C ATOM 1673 C PHE A 105 -4.793 -4.660 8.625 1.00 0.00 C ATOM 1674 O PHE A 105 -5.952 -5.074 8.612 1.00 0.00 O ATOM 1675 CB PHE A 105 -3.906 -3.571 6.561 1.00 0.00 C ATOM 1676 CG PHE A 105 -4.904 -4.246 5.659 1.00 0.00 C ATOM 1677 CD1 PHE A 105 -6.256 -3.973 5.777 1.00 0.00 C ATOM 1678 CD2 PHE A 105 -4.493 -5.150 4.691 1.00 0.00 C ATOM 1679 CE1 PHE A 105 -7.172 -4.583 4.954 1.00 0.00 C ATOM 1680 CE2 PHE A 105 -5.408 -5.761 3.861 1.00 0.00 C ATOM 1681 CZ PHE A 105 -6.749 -5.479 3.993 1.00 0.00 C ATOM 0 H PHE A 105 -2.523 -2.543 8.350 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.330 -2.711 7.924 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.617 -2.617 6.121 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -3.006 -4.183 6.616 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.595 -3.272 6.525 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -3.443 -5.378 4.586 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -8.224 -4.361 5.059 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -5.074 -6.460 3.108 1.00 0.00 H new ATOM 0 HZ PHE A 105 -7.469 -5.958 3.346 1.00 0.00 H new ATOM 1691 N SER A 106 -3.791 -5.330 9.181 1.00 0.00 N ATOM 1692 CA SER A 106 -4.001 -6.621 9.825 1.00 0.00 C ATOM 1693 C SER A 106 -5.057 -6.528 10.922 1.00 0.00 C ATOM 1694 O SER A 106 -5.719 -7.515 11.242 1.00 0.00 O ATOM 1695 CB SER A 106 -2.687 -7.144 10.404 1.00 0.00 C ATOM 1696 OG SER A 106 -2.901 -8.304 11.190 1.00 0.00 O ATOM 0 H SER A 106 -2.826 -5.001 9.199 1.00 0.00 H new ATOM 0 HA SER A 106 -4.361 -7.318 9.068 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.995 -7.373 9.594 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.221 -6.369 11.013 1.00 0.00 H new ATOM 0 HG SER A 106 -2.045 -8.619 11.547 1.00 0.00 H new ATOM 1702 N THR A 107 -5.214 -5.339 11.493 1.00 0.00 N ATOM 1703 CA THR A 107 -6.195 -5.129 12.550 1.00 0.00 C ATOM 1704 C THR A 107 -7.564 -4.815 11.962 1.00 0.00 C ATOM 1705 O THR A 107 -8.592 -5.191 12.523 1.00 0.00 O ATOM 1706 CB THR A 107 -5.748 -3.998 13.478 1.00 0.00 C ATOM 1707 OG1 THR A 107 -4.474 -4.278 14.032 1.00 0.00 O ATOM 1708 CG2 THR A 107 -6.704 -3.751 14.625 1.00 0.00 C ATOM 0 H THR A 107 -4.677 -4.509 11.243 1.00 0.00 H new ATOM 0 HA THR A 107 -6.271 -6.049 13.130 1.00 0.00 H new ATOM 0 HB THR A 107 -5.719 -3.106 12.853 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.205 -3.543 14.621 1.00 0.00 H new ATOM 0 HG21 THR A 107 -6.327 -2.937 15.244 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.684 -3.483 14.230 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.790 -4.655 15.228 1.00 0.00 H new ATOM 1716 N MET A 108 -7.571 -4.135 10.822 1.00 0.00 N ATOM 1717 CA MET A 108 -8.815 -3.785 10.156 1.00 0.00 C ATOM 1718 C MET A 108 -9.337 -4.975 9.360 1.00 0.00 C ATOM 1719 O MET A 108 -10.543 -5.119 9.154 1.00 0.00 O ATOM 1720 CB MET A 108 -8.600 -2.584 9.236 1.00 0.00 C ATOM 1721 CG MET A 108 -7.798 -1.464 9.880 1.00 0.00 C ATOM 1722 SD MET A 108 -8.830 -0.315 10.811 1.00 0.00 S ATOM 1723 CE MET A 108 -8.610 -0.937 12.476 1.00 0.00 C ATOM 0 H MET A 108 -6.730 -3.816 10.342 1.00 0.00 H new ATOM 0 HA MET A 108 -9.555 -3.518 10.910 1.00 0.00 H new ATOM 0 HB2 MET A 108 -8.087 -2.915 8.333 1.00 0.00 H new ATOM 0 HB3 MET A 108 -9.570 -2.195 8.927 1.00 0.00 H new ATOM 0 HG2 MET A 108 -7.050 -1.895 10.545 1.00 0.00 H new ATOM 0 HG3 MET A 108 -7.259 -0.917 9.106 1.00 0.00 H new ATOM 0 HE1 MET A 108 -9.397 -0.543 13.119 1.00 0.00 H new ATOM 0 HE2 MET A 108 -8.660 -2.026 12.467 1.00 0.00 H new ATOM 0 HE3 MET A 108 -7.639 -0.622 12.857 1.00 0.00 H new ATOM 1733 N MET A 109 -8.417 -5.827 8.921 1.00 0.00 N ATOM 1734 CA MET A 109 -8.773 -7.013 8.154 1.00 0.00 C ATOM 1735 C MET A 109 -9.212 -8.156 9.069 1.00 0.00 C ATOM 1736 O MET A 109 -9.716 -9.172 8.596 1.00 0.00 O ATOM 1737 CB MET A 109 -7.591 -7.461 7.292 1.00 0.00 C ATOM 1738 CG MET A 109 -6.431 -8.031 8.091 1.00 0.00 C ATOM 1739 SD MET A 109 -6.586 -9.806 8.370 1.00 0.00 S ATOM 1740 CE MET A 109 -5.627 -10.449 7.002 1.00 0.00 C ATOM 0 H MET A 109 -7.416 -5.717 9.084 1.00 0.00 H new ATOM 0 HA MET A 109 -9.612 -6.753 7.508 1.00 0.00 H new ATOM 0 HB2 MET A 109 -7.935 -8.213 6.582 1.00 0.00 H new ATOM 0 HB3 MET A 109 -7.236 -6.611 6.709 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.498 -7.830 7.564 1.00 0.00 H new ATOM 0 HG3 MET A 109 -6.371 -7.520 9.052 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.931 -11.475 6.796 1.00 0.00 H new ATOM 0 HE2 MET A 109 -5.798 -9.835 6.118 1.00 0.00 H new ATOM 0 HE3 MET A 109 -4.568 -10.429 7.259 1.00 0.00 H new ATOM 1750 N SER A 110 -9.019 -7.991 10.378 1.00 0.00 N ATOM 1751 CA SER A 110 -9.407 -9.022 11.338 1.00 0.00 C ATOM 1752 C SER A 110 -10.711 -8.652 12.029 1.00 0.00 C ATOM 1753 O SER A 110 -11.546 -9.514 12.301 1.00 0.00 O ATOM 1754 CB SER A 110 -8.302 -9.232 12.375 1.00 0.00 C ATOM 1755 OG SER A 110 -7.340 -10.164 11.913 1.00 0.00 O ATOM 0 H SER A 110 -8.600 -7.160 10.794 1.00 0.00 H new ATOM 0 HA SER A 110 -9.557 -9.954 10.793 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.816 -8.280 12.591 1.00 0.00 H new ATOM 0 HB3 SER A 110 -8.738 -9.587 13.309 1.00 0.00 H new ATOM 0 HG SER A 110 -7.191 -10.032 10.953 1.00 0.00 H new ATOM 1761 N VAL A 111 -10.889 -7.364 12.297 1.00 0.00 N ATOM 1762 CA VAL A 111 -12.105 -6.889 12.940 1.00 0.00 C ATOM 1763 C VAL A 111 -13.319 -7.124 12.042 1.00 0.00 C ATOM 1764 O VAL A 111 -14.460 -7.043 12.494 1.00 0.00 O ATOM 1765 CB VAL A 111 -12.013 -5.388 13.288 1.00 0.00 C ATOM 1766 CG1 VAL A 111 -13.273 -4.922 14.002 1.00 0.00 C ATOM 1767 CG2 VAL A 111 -10.781 -5.112 14.136 1.00 0.00 C ATOM 0 H VAL A 111 -10.210 -6.634 12.080 1.00 0.00 H new ATOM 0 HA VAL A 111 -12.221 -7.455 13.864 1.00 0.00 H new ATOM 0 HB VAL A 111 -11.923 -4.826 12.358 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -13.186 -3.861 14.238 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -14.137 -5.081 13.357 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -13.400 -5.489 14.924 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -10.732 -4.049 14.372 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -10.839 -5.686 15.060 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -9.887 -5.403 13.584 1.00 0.00 H new ATOM 1777 N HIS A 112 -13.064 -7.416 10.767 1.00 0.00 N ATOM 1778 CA HIS A 112 -14.126 -7.663 9.813 1.00 0.00 C ATOM 1779 C HIS A 112 -14.805 -9.003 10.090 1.00 0.00 C ATOM 1780 O HIS A 112 -15.982 -9.190 9.780 1.00 0.00 O ATOM 1781 CB HIS A 112 -13.551 -7.630 8.398 1.00 0.00 C ATOM 1782 CG HIS A 112 -12.975 -8.931 7.936 1.00 0.00 C ATOM 1783 ND1 HIS A 112 -12.163 -9.724 8.717 1.00 0.00 N ATOM 1784 CD2 HIS A 112 -13.103 -9.575 6.759 1.00 0.00 C ATOM 1785 CE1 HIS A 112 -11.821 -10.802 8.038 1.00 0.00 C ATOM 1786 NE2 HIS A 112 -12.381 -10.737 6.846 1.00 0.00 N ATOM 0 H HIS A 112 -12.124 -7.486 10.377 1.00 0.00 H new ATOM 0 HA HIS A 112 -14.882 -6.884 9.911 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -14.337 -7.328 7.706 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.775 -6.866 8.352 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -13.670 -9.238 5.904 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -11.190 -11.601 8.397 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -12.292 -11.437 6.109 1.00 0.00 H new ATOM 1795 N ARG A 113 -14.052 -9.935 10.674 1.00 0.00 N ATOM 1796 CA ARG A 113 -14.584 -11.254 10.989 1.00 0.00 C ATOM 1797 C ARG A 113 -15.724 -11.157 11.998 1.00 0.00 C ATOM 1798 O ARG A 113 -16.725 -11.864 11.889 1.00 0.00 O ATOM 1799 CB ARG A 113 -13.476 -12.156 11.537 1.00 0.00 C ATOM 1800 CG ARG A 113 -13.604 -13.608 11.105 1.00 0.00 C ATOM 1801 CD ARG A 113 -13.072 -13.818 9.697 1.00 0.00 C ATOM 1802 NE ARG A 113 -12.385 -15.101 9.557 1.00 0.00 N ATOM 1803 CZ ARG A 113 -11.142 -15.325 9.975 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -10.446 -14.358 10.559 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -10.593 -16.521 9.808 1.00 0.00 N ATOM 0 H ARG A 113 -13.076 -9.799 10.936 1.00 0.00 H new ATOM 0 HA ARG A 113 -14.976 -11.689 10.069 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -12.510 -11.772 11.208 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -13.485 -12.107 12.626 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -13.058 -14.245 11.800 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -14.650 -13.911 11.149 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -13.897 -13.769 8.987 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -12.386 -13.010 9.444 1.00 0.00 H new ATOM 0 HE ARG A 113 -12.888 -15.869 9.113 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -10.864 -13.437 10.690 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -9.493 -14.536 10.877 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -11.124 -17.268 9.360 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -9.640 -16.694 10.128 1.00 0.00 H new