USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=27 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 51 MET CE :methyl -117:sc= -2.78 (180deg=-7.06!) USER MOD Set 1.2: A 65 LYS NZ :NH3+ -125:sc= 0.425 (180deg=-0.918) USER MOD Set 1.3: A 68 SER OG : rot -54:sc= 1.57 USER MOD Set 1.4: A 72 MET CE :methyl -172:sc= -4.41! (180deg=-5.01!) USER MOD Set 2.1: A 23 TYR OH : rot 53:sc= -0.795 USER MOD Set 2.2: A 112 HIS : no HD1:sc= -15.7! C(o=-17!,f=-17!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0.363 USER MOD Single : A 20 THR OG1 : rot -57:sc= -2.07! USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -80:sc= 0.659 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.0027) USER MOD Single : A 30 ASN : amide:sc= -0.123 K(o=-0.12,f=-1.6!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -1.51 K(o=-1.5,f=-2.6) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) 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 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.48 X(o=-1.5,f=-1.3) 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+ 122:sc= -0.1 (180deg=-0.608) USER MOD Single : A 70 SER OG : rot 77:sc= 0.635 USER MOD Single : A 73 THR OG1 : rot 53:sc= -5.02! 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 62:sc= 1.11 USER MOD Single : A 82 THR OG1 : rot -70:sc= -2.6! USER MOD Single : A 83 SER OG : rot -50:sc= 1.1 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 ASN : amide:sc= -6.31! C(o=-6.3!,f=-23!) USER MOD Single : A 92 ASN : amide:sc= -0.167 K(o=-0.17,f=-2.2!) USER MOD Single : A 96 THR OG1 : rot 92:sc= -0.172 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot -170:sc= 0.162 USER MOD Single : A 103 SER OG : rot 66:sc= 0.034 USER MOD Single : A 106 SER OG : rot -23:sc= 0.518 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.0337 USER MOD Single : A 108 MET CE :methyl -116:sc= -1.39 (180deg=-5.14!) USER MOD Single : A 109 MET CE :methyl 155:sc= -0.125 (180deg=-0.613) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 193 N TYR A 12 -3.152 3.548 14.931 1.00 0.00 N ATOM 194 CA TYR A 12 -2.161 4.565 15.283 1.00 0.00 C ATOM 195 C TYR A 12 -1.542 5.177 14.031 1.00 0.00 C ATOM 196 O TYR A 12 -0.507 4.717 13.551 1.00 0.00 O ATOM 197 CB TYR A 12 -1.066 3.928 16.151 1.00 0.00 C ATOM 198 CG TYR A 12 -1.195 2.423 16.225 1.00 0.00 C ATOM 199 CD1 TYR A 12 -2.192 1.843 16.993 1.00 0.00 C ATOM 200 CD2 TYR A 12 -0.358 1.590 15.497 1.00 0.00 C ATOM 201 CE1 TYR A 12 -2.355 0.479 17.040 1.00 0.00 C ATOM 202 CE2 TYR A 12 -0.513 0.218 15.535 1.00 0.00 C ATOM 203 CZ TYR A 12 -1.515 -0.334 16.307 1.00 0.00 C ATOM 204 OH TYR A 12 -1.675 -1.700 16.350 1.00 0.00 O ATOM 0 HA TYR A 12 -2.657 5.360 15.840 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.088 4.187 15.746 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.115 4.345 17.157 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.854 2.475 17.566 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.426 2.020 14.892 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.136 0.046 17.647 1.00 0.00 H new ATOM 0 HE2 TYR A 12 0.146 -0.419 14.964 1.00 0.00 H new ATOM 0 HH TYR A 12 -1.004 -2.126 15.777 1.00 0.00 H new ATOM 214 N GLY A 13 -2.181 6.217 13.504 1.00 0.00 N ATOM 215 CA GLY A 13 -1.674 6.866 12.313 1.00 0.00 C ATOM 216 C GLY A 13 -2.660 6.816 11.167 1.00 0.00 C ATOM 217 O GLY A 13 -2.990 5.740 10.671 1.00 0.00 O ATOM 0 H GLY A 13 -3.039 6.620 13.881 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.438 7.905 12.541 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.743 6.387 12.009 1.00 0.00 H new ATOM 221 N ILE A 14 -3.130 7.986 10.748 1.00 0.00 N ATOM 222 CA ILE A 14 -4.087 8.085 9.648 1.00 0.00 C ATOM 223 C ILE A 14 -3.688 7.179 8.485 1.00 0.00 C ATOM 224 O ILE A 14 -4.543 6.683 7.749 1.00 0.00 O ATOM 225 CB ILE A 14 -4.210 9.541 9.147 1.00 0.00 C ATOM 226 CG1 ILE A 14 -5.364 9.672 8.143 1.00 0.00 C ATOM 227 CG2 ILE A 14 -2.897 10.015 8.539 1.00 0.00 C ATOM 228 CD1 ILE A 14 -5.040 9.173 6.749 1.00 0.00 C ATOM 0 H ILE A 14 -2.864 8.883 11.154 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.053 7.760 10.033 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.433 10.181 10.001 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.224 9.120 8.522 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.659 10.720 8.081 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.006 11.043 8.193 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.110 9.967 9.291 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.634 9.375 7.697 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.910 9.303 6.105 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.201 9.740 6.345 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.776 8.116 6.793 1.00 0.00 H new ATOM 240 N GLU A 15 -2.385 6.961 8.329 1.00 0.00 N ATOM 241 CA GLU A 15 -1.872 6.110 7.261 1.00 0.00 C ATOM 242 C GLU A 15 -2.482 4.714 7.337 1.00 0.00 C ATOM 243 O GLU A 15 -2.627 4.034 6.323 1.00 0.00 O ATOM 244 CB GLU A 15 -0.345 6.026 7.338 1.00 0.00 C ATOM 245 CG GLU A 15 0.354 6.511 6.078 1.00 0.00 C ATOM 246 CD GLU A 15 0.876 7.928 6.210 1.00 0.00 C ATOM 247 OE1 GLU A 15 0.150 8.778 6.766 1.00 0.00 O ATOM 248 OE2 GLU A 15 2.010 8.187 5.757 1.00 0.00 O ATOM 0 H GLU A 15 -1.665 7.363 8.930 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.154 6.554 6.306 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.001 6.617 8.186 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.055 4.993 7.530 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.183 5.842 5.847 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.340 6.460 5.239 1.00 0.00 H new ATOM 255 N GLY A 16 -2.848 4.295 8.543 1.00 0.00 N ATOM 256 CA GLY A 16 -3.452 2.988 8.717 1.00 0.00 C ATOM 257 C GLY A 16 -4.859 2.945 8.163 1.00 0.00 C ATOM 258 O GLY A 16 -5.241 1.988 7.490 1.00 0.00 O ATOM 0 H GLY A 16 -2.738 4.835 9.401 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.841 2.235 8.219 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.470 2.733 9.777 1.00 0.00 H new ATOM 262 N ARG A 17 -5.629 3.993 8.440 1.00 0.00 N ATOM 263 CA ARG A 17 -7.002 4.081 7.959 1.00 0.00 C ATOM 264 C ARG A 17 -7.043 4.028 6.435 1.00 0.00 C ATOM 265 O ARG A 17 -8.053 3.646 5.849 1.00 0.00 O ATOM 266 CB ARG A 17 -7.661 5.369 8.456 1.00 0.00 C ATOM 267 CG ARG A 17 -9.126 5.491 8.070 1.00 0.00 C ATOM 268 CD ARG A 17 -9.915 6.259 9.118 1.00 0.00 C ATOM 269 NE ARG A 17 -10.515 5.371 10.111 1.00 0.00 N ATOM 270 CZ ARG A 17 -11.528 4.547 9.853 1.00 0.00 C ATOM 271 NH1 ARG A 17 -12.056 4.494 8.637 1.00 0.00 N ATOM 272 NH2 ARG A 17 -12.014 3.773 10.813 1.00 0.00 N ATOM 0 H ARG A 17 -5.325 4.793 8.995 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.555 3.228 8.352 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.575 5.416 9.542 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.116 6.224 8.056 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.209 5.996 7.108 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.555 4.497 7.946 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.257 6.970 9.618 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.698 6.838 8.629 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.135 5.383 11.058 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.686 5.087 7.894 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.832 3.861 8.445 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.612 3.809 11.750 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.790 3.142 10.615 1.00 0.00 H new ATOM 286 N TYR A 18 -5.937 4.404 5.797 1.00 0.00 N ATOM 287 CA TYR A 18 -5.860 4.380 4.342 1.00 0.00 C ATOM 288 C TYR A 18 -6.097 2.969 3.828 1.00 0.00 C ATOM 289 O TYR A 18 -6.986 2.732 3.010 1.00 0.00 O ATOM 290 CB TYR A 18 -4.490 4.875 3.873 1.00 0.00 C ATOM 291 CG TYR A 18 -4.487 6.300 3.378 1.00 0.00 C ATOM 292 CD1 TYR A 18 -5.149 7.301 4.076 1.00 0.00 C ATOM 293 CD2 TYR A 18 -3.818 6.644 2.212 1.00 0.00 C ATOM 294 CE1 TYR A 18 -5.143 8.606 3.625 1.00 0.00 C ATOM 295 CE2 TYR A 18 -3.807 7.945 1.753 1.00 0.00 C ATOM 296 CZ TYR A 18 -4.470 8.924 2.463 1.00 0.00 C ATOM 297 OH TYR A 18 -4.462 10.223 2.010 1.00 0.00 O ATOM 0 H TYR A 18 -5.089 4.726 6.262 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.631 5.040 3.945 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.782 4.786 4.697 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.134 4.224 3.075 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.677 7.055 4.986 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.297 5.880 1.654 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.662 9.374 4.179 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.282 8.195 0.843 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.943 10.277 1.181 1.00 0.00 H new ATOM 307 N ALA A 19 -5.297 2.034 4.325 1.00 0.00 N ATOM 308 CA ALA A 19 -5.416 0.641 3.932 1.00 0.00 C ATOM 309 C ALA A 19 -6.743 0.065 4.398 1.00 0.00 C ATOM 310 O ALA A 19 -7.382 -0.705 3.682 1.00 0.00 O ATOM 311 CB ALA A 19 -4.257 -0.165 4.498 1.00 0.00 C ATOM 0 H ALA A 19 -4.558 2.219 5.003 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.383 0.583 2.844 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.357 -1.208 4.197 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.317 0.234 4.118 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.265 -0.099 5.586 1.00 0.00 H new ATOM 317 N THR A 20 -7.156 0.445 5.601 1.00 0.00 N ATOM 318 CA THR A 20 -8.412 -0.036 6.154 1.00 0.00 C ATOM 319 C THR A 20 -9.598 0.585 5.427 1.00 0.00 C ATOM 320 O THR A 20 -10.675 -0.007 5.361 1.00 0.00 O ATOM 321 CB THR A 20 -8.491 0.250 7.653 1.00 0.00 C ATOM 322 OG1 THR A 20 -7.432 1.094 8.064 1.00 0.00 O ATOM 323 CG2 THR A 20 -8.430 -1.006 8.495 1.00 0.00 C ATOM 0 H THR A 20 -6.641 1.082 6.209 1.00 0.00 H new ATOM 0 HA THR A 20 -8.451 -1.116 6.010 1.00 0.00 H new ATOM 0 HB THR A 20 -9.456 0.733 7.807 1.00 0.00 H new ATOM 0 HG1 THR A 20 -6.575 0.682 7.827 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.490 -0.740 9.550 1.00 0.00 H new ATOM 0 HG22 THR A 20 -9.264 -1.658 8.237 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.491 -1.526 8.305 1.00 0.00 H new ATOM 331 N ALA A 21 -9.393 1.774 4.868 1.00 0.00 N ATOM 332 CA ALA A 21 -10.449 2.454 4.134 1.00 0.00 C ATOM 333 C ALA A 21 -10.418 2.071 2.658 1.00 0.00 C ATOM 334 O ALA A 21 -11.221 2.559 1.863 1.00 0.00 O ATOM 335 CB ALA A 21 -10.332 3.962 4.300 1.00 0.00 C ATOM 0 H ALA A 21 -8.510 2.282 4.910 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.407 2.137 4.546 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.131 4.452 3.744 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.415 4.219 5.356 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.367 4.296 3.920 1.00 0.00 H new ATOM 341 N LEU A 22 -9.504 1.172 2.307 1.00 0.00 N ATOM 342 CA LEU A 22 -9.388 0.696 0.935 1.00 0.00 C ATOM 343 C LEU A 22 -9.732 -0.773 0.902 1.00 0.00 C ATOM 344 O LEU A 22 -10.387 -1.255 -0.021 1.00 0.00 O ATOM 345 CB LEU A 22 -7.979 0.931 0.389 1.00 0.00 C ATOM 346 CG LEU A 22 -7.754 0.441 -1.044 1.00 0.00 C ATOM 347 CD1 LEU A 22 -7.234 1.570 -1.922 1.00 0.00 C ATOM 348 CD2 LEU A 22 -6.792 -0.739 -1.062 1.00 0.00 C ATOM 0 H LEU A 22 -8.833 0.759 2.955 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.079 1.251 0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.762 1.998 0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.263 0.434 1.044 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.711 0.109 -1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.081 1.201 -2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.960 2.383 -1.937 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.288 1.936 -1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.645 -1.073 -2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.835 -0.435 -0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.207 -1.556 -0.471 1.00 0.00 H new ATOM 360 N TYR A 23 -9.315 -1.472 1.944 1.00 0.00 N ATOM 361 CA TYR A 23 -9.611 -2.873 2.067 1.00 0.00 C ATOM 362 C TYR A 23 -11.069 -3.044 2.484 1.00 0.00 C ATOM 363 O TYR A 23 -11.647 -4.111 2.305 1.00 0.00 O ATOM 364 CB TYR A 23 -8.657 -3.525 3.072 1.00 0.00 C ATOM 365 CG TYR A 23 -9.337 -4.096 4.291 1.00 0.00 C ATOM 366 CD1 TYR A 23 -10.077 -5.258 4.199 1.00 0.00 C ATOM 367 CD2 TYR A 23 -9.241 -3.472 5.522 1.00 0.00 C ATOM 368 CE1 TYR A 23 -10.712 -5.789 5.298 1.00 0.00 C ATOM 369 CE2 TYR A 23 -9.868 -3.990 6.630 1.00 0.00 C ATOM 370 CZ TYR A 23 -10.607 -5.151 6.518 1.00 0.00 C ATOM 371 OH TYR A 23 -11.235 -5.671 7.625 1.00 0.00 O ATOM 0 H TYR A 23 -8.770 -1.084 2.714 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.467 -3.370 1.108 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.108 -4.321 2.570 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.924 -2.785 3.392 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -10.159 -5.760 3.246 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.664 -2.564 5.614 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.288 -6.698 5.207 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.783 -3.491 7.584 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.973 -6.609 7.739 1.00 0.00 H new ATOM 381 N SER A 24 -11.672 -1.975 3.029 1.00 0.00 N ATOM 382 CA SER A 24 -13.072 -2.024 3.441 1.00 0.00 C ATOM 383 C SER A 24 -13.907 -2.634 2.325 1.00 0.00 C ATOM 384 O SER A 24 -14.768 -3.481 2.565 1.00 0.00 O ATOM 385 CB SER A 24 -13.583 -0.621 3.780 1.00 0.00 C ATOM 386 OG SER A 24 -13.118 0.331 2.840 1.00 0.00 O ATOM 0 H SER A 24 -11.213 -1.079 3.191 1.00 0.00 H new ATOM 0 HA SER A 24 -13.158 -2.642 4.335 1.00 0.00 H new ATOM 0 HB2 SER A 24 -14.673 -0.621 3.794 1.00 0.00 H new ATOM 0 HB3 SER A 24 -13.251 -0.341 4.780 1.00 0.00 H new ATOM 0 HG SER A 24 -13.459 1.219 3.077 1.00 0.00 H new ATOM 392 N ALA A 25 -13.607 -2.224 1.098 1.00 0.00 N ATOM 393 CA ALA A 25 -14.287 -2.757 -0.069 1.00 0.00 C ATOM 394 C ALA A 25 -13.747 -4.145 -0.362 1.00 0.00 C ATOM 395 O ALA A 25 -14.481 -5.042 -0.775 1.00 0.00 O ATOM 396 CB ALA A 25 -14.098 -1.839 -1.268 1.00 0.00 C ATOM 0 H ALA A 25 -12.896 -1.523 0.889 1.00 0.00 H new ATOM 0 HA ALA A 25 -15.357 -2.820 0.131 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.615 -2.257 -2.131 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -14.508 -0.855 -1.041 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -13.035 -1.747 -1.492 1.00 0.00 H new ATOM 402 N ALA A 26 -12.450 -4.313 -0.120 1.00 0.00 N ATOM 403 CA ALA A 26 -11.792 -5.595 -0.332 1.00 0.00 C ATOM 404 C ALA A 26 -12.351 -6.656 0.612 1.00 0.00 C ATOM 405 O ALA A 26 -12.384 -7.840 0.279 1.00 0.00 O ATOM 406 CB ALA A 26 -10.292 -5.459 -0.134 1.00 0.00 C ATOM 0 H ALA A 26 -11.835 -3.575 0.223 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.986 -5.910 -1.357 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.815 -6.425 -0.296 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.895 -4.735 -0.845 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.088 -5.119 0.881 1.00 0.00 H new ATOM 412 N SER A 27 -12.788 -6.224 1.793 1.00 0.00 N ATOM 413 CA SER A 27 -13.345 -7.134 2.788 1.00 0.00 C ATOM 414 C SER A 27 -14.630 -7.768 2.270 1.00 0.00 C ATOM 415 O SER A 27 -14.808 -8.983 2.339 1.00 0.00 O ATOM 416 CB SER A 27 -13.619 -6.386 4.095 1.00 0.00 C ATOM 417 OG SER A 27 -14.930 -5.845 4.114 1.00 0.00 O ATOM 0 H SER A 27 -12.766 -5.247 2.084 1.00 0.00 H new ATOM 0 HA SER A 27 -12.618 -7.924 2.979 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.491 -7.064 4.938 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.891 -5.584 4.217 1.00 0.00 H new ATOM 0 HG SER A 27 -14.949 -5.015 3.593 1.00 0.00 H new ATOM 423 N LYS A 28 -15.524 -6.932 1.743 1.00 0.00 N ATOM 424 CA LYS A 28 -16.793 -7.410 1.205 1.00 0.00 C ATOM 425 C LYS A 28 -16.553 -8.499 0.165 1.00 0.00 C ATOM 426 O LYS A 28 -17.353 -9.423 0.020 1.00 0.00 O ATOM 427 CB LYS A 28 -17.577 -6.253 0.580 1.00 0.00 C ATOM 428 CG LYS A 28 -19.012 -6.609 0.230 1.00 0.00 C ATOM 429 CD LYS A 28 -19.975 -6.182 1.325 1.00 0.00 C ATOM 430 CE LYS A 28 -21.354 -5.876 0.765 1.00 0.00 C ATOM 431 NZ LYS A 28 -21.996 -4.728 1.464 1.00 0.00 N ATOM 0 H LYS A 28 -15.392 -5.923 1.678 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.378 -7.829 2.024 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -17.579 -5.411 1.272 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.063 -5.923 -0.323 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -19.289 -6.127 -0.708 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -19.093 -7.684 0.072 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -20.052 -6.972 2.072 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -19.583 -5.300 1.832 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -21.272 -5.653 -0.299 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -21.988 -6.758 0.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -22.935 -4.552 1.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -22.098 -4.950 2.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -21.405 -3.880 1.354 1.00 0.00 H new ATOM 445 N GLN A 29 -15.438 -8.384 -0.548 1.00 0.00 N ATOM 446 CA GLN A 29 -15.078 -9.361 -1.566 1.00 0.00 C ATOM 447 C GLN A 29 -14.283 -10.504 -0.947 1.00 0.00 C ATOM 448 O GLN A 29 -14.476 -11.666 -1.304 1.00 0.00 O ATOM 449 CB GLN A 29 -14.263 -8.695 -2.676 1.00 0.00 C ATOM 450 CG GLN A 29 -14.507 -9.293 -4.052 1.00 0.00 C ATOM 451 CD GLN A 29 -15.437 -8.446 -4.899 1.00 0.00 C ATOM 452 OE1 GLN A 29 -16.494 -8.907 -5.331 1.00 0.00 O ATOM 453 NE2 GLN A 29 -15.048 -7.200 -5.140 1.00 0.00 N ATOM 0 H GLN A 29 -14.768 -7.623 -0.439 1.00 0.00 H new ATOM 0 HA GLN A 29 -15.994 -9.765 -1.997 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.502 -7.632 -2.703 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.203 -8.777 -2.436 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -13.554 -9.407 -4.569 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.931 -10.291 -3.940 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.164 -6.860 -4.762 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.633 -6.583 -5.703 1.00 0.00 H new ATOM 462 N ASN A 30 -13.382 -10.154 -0.023 1.00 0.00 N ATOM 463 CA ASN A 30 -12.530 -11.127 0.666 1.00 0.00 C ATOM 464 C ASN A 30 -11.159 -11.165 0.014 1.00 0.00 C ATOM 465 O ASN A 30 -10.502 -12.205 -0.029 1.00 0.00 O ATOM 466 CB ASN A 30 -13.148 -12.530 0.672 1.00 0.00 C ATOM 467 CG ASN A 30 -12.586 -13.406 1.774 1.00 0.00 C ATOM 468 OD1 ASN A 30 -12.095 -12.910 2.788 1.00 0.00 O ATOM 469 ND2 ASN A 30 -12.655 -14.718 1.580 1.00 0.00 N ATOM 0 H ASN A 30 -13.224 -9.189 0.268 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.435 -10.807 1.704 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.228 -12.447 0.793 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -12.971 -13.006 -0.292 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.293 -15.358 2.287 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.070 -15.086 0.724 1.00 0.00 H new ATOM 476 N LYS A 31 -10.736 -10.014 -0.494 1.00 0.00 N ATOM 477 CA LYS A 31 -9.446 -9.898 -1.149 1.00 0.00 C ATOM 478 C LYS A 31 -8.347 -9.550 -0.150 1.00 0.00 C ATOM 479 O LYS A 31 -7.223 -9.253 -0.545 1.00 0.00 O ATOM 480 CB LYS A 31 -9.506 -8.838 -2.250 1.00 0.00 C ATOM 481 CG LYS A 31 -10.192 -9.318 -3.518 1.00 0.00 C ATOM 482 CD LYS A 31 -9.391 -10.411 -4.206 1.00 0.00 C ATOM 483 CE LYS A 31 -9.423 -10.258 -5.719 1.00 0.00 C ATOM 484 NZ LYS A 31 -10.536 -11.034 -6.331 1.00 0.00 N ATOM 0 H LYS A 31 -11.272 -9.147 -0.463 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.208 -10.865 -1.593 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.032 -7.962 -1.871 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.492 -8.520 -2.493 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.186 -9.692 -3.275 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.325 -8.479 -4.201 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.358 -10.381 -3.858 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.792 -11.386 -3.929 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.531 -9.204 -5.975 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.474 -10.592 -6.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.524 -10.904 -7.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.419 -12.043 -6.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.444 -10.698 -5.950 1.00 0.00 H new ATOM 498 N LEU A 32 -8.668 -9.592 1.147 1.00 0.00 N ATOM 499 CA LEU A 32 -7.692 -9.289 2.186 1.00 0.00 C ATOM 500 C LEU A 32 -6.360 -9.972 1.907 1.00 0.00 C ATOM 501 O LEU A 32 -5.305 -9.465 2.276 1.00 0.00 O ATOM 502 CB LEU A 32 -8.251 -9.719 3.536 1.00 0.00 C ATOM 503 CG LEU A 32 -9.227 -8.723 4.155 1.00 0.00 C ATOM 504 CD1 LEU A 32 -8.456 -7.666 4.930 1.00 0.00 C ATOM 505 CD2 LEU A 32 -10.098 -8.081 3.082 1.00 0.00 C ATOM 0 H LEU A 32 -9.595 -9.833 1.497 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.507 -8.215 2.197 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.754 -10.679 3.419 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.422 -9.876 4.227 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.886 -9.254 4.842 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.155 -6.956 5.371 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.877 -8.144 5.720 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.782 -7.139 4.255 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.786 -7.375 3.546 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.466 -7.555 2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.666 -8.854 2.564 1.00 0.00 H new ATOM 517 N GLU A 33 -6.415 -11.110 1.229 1.00 0.00 N ATOM 518 CA GLU A 33 -5.202 -11.840 0.881 1.00 0.00 C ATOM 519 C GLU A 33 -4.521 -11.173 -0.310 1.00 0.00 C ATOM 520 O GLU A 33 -3.293 -11.154 -0.410 1.00 0.00 O ATOM 521 CB GLU A 33 -5.526 -13.299 0.557 1.00 0.00 C ATOM 522 CG GLU A 33 -6.399 -13.975 1.602 1.00 0.00 C ATOM 523 CD GLU A 33 -5.593 -14.780 2.603 1.00 0.00 C ATOM 524 OE1 GLU A 33 -4.584 -15.393 2.197 1.00 0.00 O ATOM 525 OE2 GLU A 33 -5.972 -14.797 3.793 1.00 0.00 O ATOM 0 H GLU A 33 -7.280 -11.546 0.910 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.525 -11.822 1.735 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.029 -13.345 -0.409 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.594 -13.856 0.458 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.977 -13.218 2.132 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.113 -14.631 1.104 1.00 0.00 H new ATOM 532 N GLN A 34 -5.333 -10.615 -1.201 1.00 0.00 N ATOM 533 CA GLN A 34 -4.831 -9.924 -2.382 1.00 0.00 C ATOM 534 C GLN A 34 -4.541 -8.455 -2.073 1.00 0.00 C ATOM 535 O GLN A 34 -3.969 -7.743 -2.898 1.00 0.00 O ATOM 536 CB GLN A 34 -5.841 -10.028 -3.525 1.00 0.00 C ATOM 537 CG GLN A 34 -5.292 -9.571 -4.866 1.00 0.00 C ATOM 538 CD GLN A 34 -4.225 -10.499 -5.410 1.00 0.00 C ATOM 539 OE1 GLN A 34 -4.099 -11.643 -4.974 1.00 0.00 O ATOM 540 NE2 GLN A 34 -3.448 -10.007 -6.369 1.00 0.00 N ATOM 0 H GLN A 34 -6.350 -10.629 -1.126 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.899 -10.402 -2.685 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.174 -11.062 -3.612 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.719 -9.430 -3.279 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.109 -9.504 -5.584 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.876 -8.569 -4.761 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.589 -9.052 -6.700 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.711 -10.584 -6.774 1.00 0.00 H new ATOM 549 N VAL A 35 -4.931 -8.009 -0.880 1.00 0.00 N ATOM 550 CA VAL A 35 -4.701 -6.627 -0.467 1.00 0.00 C ATOM 551 C VAL A 35 -3.686 -6.566 0.670 1.00 0.00 C ATOM 552 O VAL A 35 -2.878 -5.640 0.747 1.00 0.00 O ATOM 553 CB VAL A 35 -6.001 -5.929 -0.001 1.00 0.00 C ATOM 554 CG1 VAL A 35 -5.943 -4.443 -0.318 1.00 0.00 C ATOM 555 CG2 VAL A 35 -7.244 -6.563 -0.622 1.00 0.00 C ATOM 0 H VAL A 35 -5.407 -8.584 -0.184 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.320 -6.104 -1.344 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.077 -6.060 1.078 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.864 -3.964 0.015 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.094 -3.994 0.197 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.830 -4.304 -1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.134 -6.042 -0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.187 -6.487 -1.708 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.299 -7.613 -0.334 1.00 0.00 H new ATOM 565 N GLU A 36 -3.727 -7.566 1.549 1.00 0.00 N ATOM 566 CA GLU A 36 -2.802 -7.629 2.677 1.00 0.00 C ATOM 567 C GLU A 36 -1.424 -8.026 2.183 1.00 0.00 C ATOM 568 O GLU A 36 -0.421 -7.407 2.536 1.00 0.00 O ATOM 569 CB GLU A 36 -3.289 -8.626 3.731 1.00 0.00 C ATOM 570 CG GLU A 36 -2.463 -8.614 5.007 1.00 0.00 C ATOM 571 CD GLU A 36 -2.520 -9.935 5.750 1.00 0.00 C ATOM 572 OE1 GLU A 36 -3.636 -10.372 6.099 1.00 0.00 O ATOM 573 OE2 GLU A 36 -1.447 -10.531 5.982 1.00 0.00 O ATOM 0 H GLU A 36 -4.389 -8.341 1.501 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.753 -6.644 3.141 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.327 -8.403 3.978 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.271 -9.629 3.306 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.426 -8.383 4.762 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.821 -7.818 5.660 1.00 0.00 H new ATOM 580 N LYS A 37 -1.389 -9.040 1.328 1.00 0.00 N ATOM 581 CA LYS A 37 -0.139 -9.489 0.744 1.00 0.00 C ATOM 582 C LYS A 37 0.382 -8.396 -0.170 1.00 0.00 C ATOM 583 O LYS A 37 1.588 -8.240 -0.360 1.00 0.00 O ATOM 584 CB LYS A 37 -0.339 -10.791 -0.036 1.00 0.00 C ATOM 585 CG LYS A 37 -0.858 -11.937 0.815 1.00 0.00 C ATOM 586 CD LYS A 37 -0.997 -13.214 0.003 1.00 0.00 C ATOM 587 CE LYS A 37 -0.798 -14.449 0.869 1.00 0.00 C ATOM 588 NZ LYS A 37 -0.909 -15.705 0.079 1.00 0.00 N ATOM 0 H LYS A 37 -2.211 -9.563 1.026 1.00 0.00 H new ATOM 0 HA LYS A 37 0.584 -9.689 1.535 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.037 -10.611 -0.853 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.609 -11.084 -0.486 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.179 -12.108 1.651 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.825 -11.667 1.240 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.984 -13.247 -0.459 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.266 -13.214 -0.806 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.182 -14.405 1.345 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.540 -14.456 1.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.767 -16.523 0.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.853 -15.760 -0.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.185 -15.711 -0.667 1.00 0.00 H new ATOM 602 N GLU A 38 -0.556 -7.622 -0.715 1.00 0.00 N ATOM 603 CA GLU A 38 -0.229 -6.517 -1.588 1.00 0.00 C ATOM 604 C GLU A 38 -0.043 -5.231 -0.779 1.00 0.00 C ATOM 605 O GLU A 38 0.030 -4.137 -1.335 1.00 0.00 O ATOM 606 CB GLU A 38 -1.338 -6.339 -2.618 1.00 0.00 C ATOM 607 CG GLU A 38 -1.175 -7.217 -3.848 1.00 0.00 C ATOM 608 CD GLU A 38 -1.266 -8.696 -3.524 1.00 0.00 C ATOM 609 OE1 GLU A 38 -0.307 -9.234 -2.931 1.00 0.00 O ATOM 610 OE2 GLU A 38 -2.295 -9.316 -3.863 1.00 0.00 O ATOM 0 H GLU A 38 -1.556 -7.750 -0.559 1.00 0.00 H new ATOM 0 HA GLU A 38 0.708 -6.734 -2.102 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.297 -6.560 -2.149 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.369 -5.295 -2.929 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.943 -6.961 -4.578 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.211 -7.009 -4.313 1.00 0.00 H new ATOM 617 N LEU A 39 0.050 -5.374 0.540 1.00 0.00 N ATOM 618 CA LEU A 39 0.251 -4.234 1.422 1.00 0.00 C ATOM 619 C LEU A 39 1.639 -4.312 2.039 1.00 0.00 C ATOM 620 O LEU A 39 2.295 -3.293 2.258 1.00 0.00 O ATOM 621 CB LEU A 39 -0.823 -4.200 2.514 1.00 0.00 C ATOM 622 CG LEU A 39 -1.717 -2.955 2.503 1.00 0.00 C ATOM 623 CD1 LEU A 39 -3.156 -3.331 2.184 1.00 0.00 C ATOM 624 CD2 LEU A 39 -1.639 -2.227 3.837 1.00 0.00 C ATOM 0 H LEU A 39 -0.011 -6.272 1.020 1.00 0.00 H new ATOM 0 HA LEU A 39 0.168 -3.315 0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.454 -5.083 2.410 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.334 -4.270 3.486 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.357 -2.283 1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.774 -2.433 2.181 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.199 -3.805 1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.527 -4.025 2.939 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.281 -1.346 3.809 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.971 -2.892 4.634 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.610 -1.920 4.025 1.00 0.00 H new ATOM 636 N LEU A 40 2.090 -5.537 2.293 1.00 0.00 N ATOM 637 CA LEU A 40 3.411 -5.761 2.856 1.00 0.00 C ATOM 638 C LEU A 40 4.475 -5.531 1.789 1.00 0.00 C ATOM 639 O LEU A 40 5.607 -5.159 2.095 1.00 0.00 O ATOM 640 CB LEU A 40 3.523 -7.181 3.414 1.00 0.00 C ATOM 641 CG LEU A 40 2.760 -7.427 4.716 1.00 0.00 C ATOM 642 CD1 LEU A 40 2.466 -8.910 4.892 1.00 0.00 C ATOM 643 CD2 LEU A 40 3.547 -6.893 5.903 1.00 0.00 C ATOM 0 H LEU A 40 1.557 -6.388 2.116 1.00 0.00 H new ATOM 0 HA LEU A 40 3.567 -5.056 3.673 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.161 -7.881 2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.576 -7.408 3.579 1.00 0.00 H new ATOM 0 HG LEU A 40 1.811 -6.894 4.665 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.923 -9.065 5.824 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.861 -9.263 4.056 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.403 -9.466 4.922 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.989 -7.076 6.821 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.511 -7.398 5.957 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.705 -5.821 5.782 1.00 0.00 H new ATOM 655 N ARG A 41 4.098 -5.748 0.528 1.00 0.00 N ATOM 656 CA ARG A 41 5.017 -5.553 -0.584 1.00 0.00 C ATOM 657 C ARG A 41 5.397 -4.083 -0.705 1.00 0.00 C ATOM 658 O ARG A 41 6.547 -3.749 -0.983 1.00 0.00 O ATOM 659 CB ARG A 41 4.385 -6.040 -1.890 1.00 0.00 C ATOM 660 CG ARG A 41 5.381 -6.667 -2.852 1.00 0.00 C ATOM 661 CD ARG A 41 5.657 -8.119 -2.500 1.00 0.00 C ATOM 662 NE ARG A 41 6.973 -8.554 -2.962 1.00 0.00 N ATOM 663 CZ ARG A 41 7.602 -9.632 -2.499 1.00 0.00 C ATOM 664 NH1 ARG A 41 7.040 -10.387 -1.563 1.00 0.00 N ATOM 665 NH2 ARG A 41 8.796 -9.958 -2.974 1.00 0.00 N ATOM 0 H ARG A 41 3.165 -6.058 0.256 1.00 0.00 H new ATOM 0 HA ARG A 41 5.919 -6.135 -0.392 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.608 -6.769 -1.658 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.896 -5.199 -2.383 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.994 -6.605 -3.869 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.313 -6.103 -2.831 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.591 -8.249 -1.420 1.00 0.00 H new ATOM 0 HD3 ARG A 41 4.889 -8.752 -2.945 1.00 0.00 H new ATOM 0 HE ARG A 41 7.437 -7.999 -3.681 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.121 -10.142 -1.194 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.527 -11.212 -1.212 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.233 -9.383 -3.694 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.278 -10.784 -2.619 1.00 0.00 H new ATOM 679 N VAL A 42 4.420 -3.207 -0.483 1.00 0.00 N ATOM 680 CA VAL A 42 4.655 -1.771 -0.557 1.00 0.00 C ATOM 681 C VAL A 42 5.624 -1.328 0.533 1.00 0.00 C ATOM 682 O VAL A 42 6.349 -0.346 0.373 1.00 0.00 O ATOM 683 CB VAL A 42 3.338 -0.978 -0.424 1.00 0.00 C ATOM 684 CG1 VAL A 42 3.588 0.514 -0.587 1.00 0.00 C ATOM 685 CG2 VAL A 42 2.317 -1.464 -1.443 1.00 0.00 C ATOM 0 H VAL A 42 3.461 -3.467 -0.251 1.00 0.00 H new ATOM 0 HA VAL A 42 5.090 -1.563 -1.535 1.00 0.00 H new ATOM 0 HB VAL A 42 2.936 -1.149 0.575 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.646 1.054 -0.490 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.282 0.853 0.183 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.016 0.706 -1.571 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.395 -0.893 -1.334 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.713 -1.326 -2.449 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.111 -2.521 -1.276 1.00 0.00 H new ATOM 695 N GLY A 43 5.638 -2.065 1.639 1.00 0.00 N ATOM 696 CA GLY A 43 6.527 -1.741 2.736 1.00 0.00 C ATOM 697 C GLY A 43 7.966 -2.095 2.421 1.00 0.00 C ATOM 698 O GLY A 43 8.880 -1.318 2.694 1.00 0.00 O ATOM 0 H GLY A 43 5.048 -2.882 1.794 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.456 -0.676 2.959 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.209 -2.276 3.631 1.00 0.00 H new ATOM 702 N GLN A 44 8.164 -3.272 1.833 1.00 0.00 N ATOM 703 CA GLN A 44 9.498 -3.725 1.467 1.00 0.00 C ATOM 704 C GLN A 44 10.103 -2.802 0.418 1.00 0.00 C ATOM 705 O GLN A 44 11.314 -2.584 0.389 1.00 0.00 O ATOM 706 CB GLN A 44 9.447 -5.160 0.937 1.00 0.00 C ATOM 707 CG GLN A 44 9.528 -6.215 2.026 1.00 0.00 C ATOM 708 CD GLN A 44 9.415 -7.626 1.482 1.00 0.00 C ATOM 709 OE1 GLN A 44 8.326 -8.087 1.141 1.00 0.00 O ATOM 710 NE2 GLN A 44 10.544 -8.320 1.397 1.00 0.00 N ATOM 0 H GLN A 44 7.417 -3.927 1.601 1.00 0.00 H new ATOM 0 HA GLN A 44 10.126 -3.702 2.358 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.522 -5.299 0.377 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.269 -5.309 0.237 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.473 -6.110 2.559 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.732 -6.045 2.751 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.425 -7.899 1.691 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.530 -9.275 1.038 1.00 0.00 H new ATOM 719 N ILE A 45 9.246 -2.254 -0.439 1.00 0.00 N ATOM 720 CA ILE A 45 9.688 -1.345 -1.487 1.00 0.00 C ATOM 721 C ILE A 45 10.274 -0.074 -0.881 1.00 0.00 C ATOM 722 O ILE A 45 11.190 0.527 -1.438 1.00 0.00 O ATOM 723 CB ILE A 45 8.525 -0.980 -2.434 1.00 0.00 C ATOM 724 CG1 ILE A 45 7.978 -2.239 -3.107 1.00 0.00 C ATOM 725 CG2 ILE A 45 8.975 0.029 -3.483 1.00 0.00 C ATOM 726 CD1 ILE A 45 6.516 -2.137 -3.482 1.00 0.00 C ATOM 0 H ILE A 45 8.241 -2.425 -0.426 1.00 0.00 H new ATOM 0 HA ILE A 45 10.459 -1.856 -2.064 1.00 0.00 H new ATOM 0 HB ILE A 45 7.732 -0.523 -1.842 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.562 -2.444 -4.005 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.115 -3.088 -2.437 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.138 0.270 -4.138 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.323 0.936 -2.989 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.787 -0.397 -4.073 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.196 -3.066 -3.955 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.922 -1.963 -2.585 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.376 -1.309 -4.177 1.00 0.00 H new ATOM 738 N LEU A 46 9.743 0.324 0.269 1.00 0.00 N ATOM 739 CA LEU A 46 10.222 1.517 0.954 1.00 0.00 C ATOM 740 C LEU A 46 11.509 1.216 1.710 1.00 0.00 C ATOM 741 O LEU A 46 12.449 2.011 1.704 1.00 0.00 O ATOM 742 CB LEU A 46 9.158 2.041 1.919 1.00 0.00 C ATOM 743 CG LEU A 46 9.080 3.563 2.028 1.00 0.00 C ATOM 744 CD1 LEU A 46 10.409 4.132 2.497 1.00 0.00 C ATOM 745 CD2 LEU A 46 8.678 4.171 0.692 1.00 0.00 C ATOM 0 H LEU A 46 8.982 -0.161 0.745 1.00 0.00 H new ATOM 0 HA LEU A 46 10.426 2.283 0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.185 1.664 1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.353 1.630 2.910 1.00 0.00 H new ATOM 0 HG LEU A 46 8.319 3.819 2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.335 5.217 2.569 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.657 3.720 3.475 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.190 3.868 1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.627 5.256 0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.417 3.907 -0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.702 3.786 0.396 1.00 0.00 H new ATOM 757 N LYS A 47 11.545 0.057 2.357 1.00 0.00 N ATOM 758 CA LYS A 47 12.718 -0.360 3.115 1.00 0.00 C ATOM 759 C LYS A 47 13.836 -0.822 2.184 1.00 0.00 C ATOM 760 O LYS A 47 15.006 -0.828 2.565 1.00 0.00 O ATOM 761 CB LYS A 47 12.348 -1.485 4.085 1.00 0.00 C ATOM 762 CG LYS A 47 11.713 -0.994 5.374 1.00 0.00 C ATOM 763 CD LYS A 47 10.835 -2.062 6.006 1.00 0.00 C ATOM 764 CE LYS A 47 11.566 -2.797 7.119 1.00 0.00 C ATOM 765 NZ LYS A 47 10.660 -3.127 8.254 1.00 0.00 N ATOM 0 H LYS A 47 10.774 -0.611 2.372 1.00 0.00 H new ATOM 0 HA LYS A 47 13.077 0.499 3.682 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.660 -2.169 3.589 1.00 0.00 H new ATOM 0 HB3 LYS A 47 13.245 -2.055 4.326 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.493 -0.701 6.076 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.116 -0.105 5.171 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.931 -1.602 6.405 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.521 -2.774 5.243 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.002 -3.715 6.723 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.391 -2.182 7.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.196 -3.627 8.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.264 -2.250 8.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.887 -3.735 7.916 1.00 0.00 H new ATOM 779 N GLU A 48 13.471 -1.208 0.962 1.00 0.00 N ATOM 780 CA GLU A 48 14.450 -1.669 -0.016 1.00 0.00 C ATOM 781 C GLU A 48 15.547 -0.623 -0.228 1.00 0.00 C ATOM 782 O GLU A 48 15.274 0.484 -0.690 1.00 0.00 O ATOM 783 CB GLU A 48 13.761 -1.979 -1.347 1.00 0.00 C ATOM 784 CG GLU A 48 13.399 -3.446 -1.519 1.00 0.00 C ATOM 785 CD GLU A 48 14.310 -4.160 -2.497 1.00 0.00 C ATOM 786 OE1 GLU A 48 15.444 -3.682 -2.710 1.00 0.00 O ATOM 787 OE2 GLU A 48 13.890 -5.198 -3.050 1.00 0.00 O ATOM 0 H GLU A 48 12.507 -1.210 0.628 1.00 0.00 H new ATOM 0 HA GLU A 48 14.912 -2.578 0.369 1.00 0.00 H new ATOM 0 HB2 GLU A 48 12.855 -1.378 -1.426 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.416 -1.677 -2.164 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.449 -3.945 -0.551 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.368 -3.524 -1.865 1.00 0.00 H new ATOM 794 N PRO A 49 16.807 -0.960 0.106 1.00 0.00 N ATOM 795 CA PRO A 49 17.937 -0.039 -0.054 1.00 0.00 C ATOM 796 C PRO A 49 18.005 0.558 -1.456 1.00 0.00 C ATOM 797 O PRO A 49 18.122 1.773 -1.620 1.00 0.00 O ATOM 798 CB PRO A 49 19.157 -0.921 0.211 1.00 0.00 C ATOM 799 CG PRO A 49 18.650 -2.011 1.089 1.00 0.00 C ATOM 800 CD PRO A 49 17.230 -2.260 0.663 1.00 0.00 C ATOM 0 HA PRO A 49 17.861 0.817 0.616 1.00 0.00 H new ATOM 0 HB2 PRO A 49 19.568 -1.319 -0.717 1.00 0.00 H new ATOM 0 HB3 PRO A 49 19.954 -0.359 0.697 1.00 0.00 H new ATOM 0 HG2 PRO A 49 19.254 -2.912 0.980 1.00 0.00 H new ATOM 0 HG3 PRO A 49 18.697 -1.720 2.138 1.00 0.00 H new ATOM 0 HD2 PRO A 49 17.167 -3.055 -0.080 1.00 0.00 H new ATOM 0 HD3 PRO A 49 16.605 -2.559 1.504 1.00 0.00 H new ATOM 808 N LYS A 50 17.930 -0.303 -2.465 1.00 0.00 N ATOM 809 CA LYS A 50 17.982 0.139 -3.854 1.00 0.00 C ATOM 810 C LYS A 50 16.836 1.098 -4.162 1.00 0.00 C ATOM 811 O LYS A 50 16.966 1.986 -5.005 1.00 0.00 O ATOM 812 CB LYS A 50 17.925 -1.063 -4.796 1.00 0.00 C ATOM 813 CG LYS A 50 18.695 -0.859 -6.091 1.00 0.00 C ATOM 814 CD LYS A 50 20.193 -0.778 -5.842 1.00 0.00 C ATOM 815 CE LYS A 50 20.860 0.221 -6.773 1.00 0.00 C ATOM 816 NZ LYS A 50 22.336 0.040 -6.816 1.00 0.00 N ATOM 0 H LYS A 50 17.833 -1.311 -2.347 1.00 0.00 H new ATOM 0 HA LYS A 50 18.924 0.666 -4.007 1.00 0.00 H new ATOM 0 HB2 LYS A 50 18.323 -1.937 -4.280 1.00 0.00 H new ATOM 0 HB3 LYS A 50 16.883 -1.279 -5.033 1.00 0.00 H new ATOM 0 HG2 LYS A 50 18.483 -1.681 -6.775 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.356 0.056 -6.577 1.00 0.00 H new ATOM 0 HD2 LYS A 50 20.376 -0.490 -4.807 1.00 0.00 H new ATOM 0 HD3 LYS A 50 20.640 -1.762 -5.983 1.00 0.00 H new ATOM 0 HE2 LYS A 50 20.451 0.110 -7.777 1.00 0.00 H new ATOM 0 HE3 LYS A 50 20.628 1.234 -6.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 22.753 0.740 -7.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 22.730 0.171 -5.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 22.559 -0.918 -7.154 1.00 0.00 H new ATOM 830 N MET A 51 15.714 0.911 -3.475 1.00 0.00 N ATOM 831 CA MET A 51 14.544 1.759 -3.675 1.00 0.00 C ATOM 832 C MET A 51 14.771 3.151 -3.095 1.00 0.00 C ATOM 833 O MET A 51 14.186 4.129 -3.558 1.00 0.00 O ATOM 834 CB MET A 51 13.311 1.117 -3.037 1.00 0.00 C ATOM 835 CG MET A 51 12.154 0.933 -4.005 1.00 0.00 C ATOM 836 SD MET A 51 11.203 2.446 -4.246 1.00 0.00 S ATOM 837 CE MET A 51 10.067 1.930 -5.530 1.00 0.00 C ATOM 0 H MET A 51 15.590 0.180 -2.775 1.00 0.00 H new ATOM 0 HA MET A 51 14.378 1.860 -4.747 1.00 0.00 H new ATOM 0 HB2 MET A 51 13.588 0.146 -2.626 1.00 0.00 H new ATOM 0 HB3 MET A 51 12.981 1.734 -2.202 1.00 0.00 H new ATOM 0 HG2 MET A 51 12.540 0.594 -4.966 1.00 0.00 H new ATOM 0 HG3 MET A 51 11.494 0.149 -3.632 1.00 0.00 H new ATOM 0 HE1 MET A 51 10.239 2.523 -6.428 1.00 0.00 H new ATOM 0 HE2 MET A 51 10.227 0.876 -5.755 1.00 0.00 H new ATOM 0 HE3 MET A 51 9.042 2.077 -5.190 1.00 0.00 H new ATOM 847 N ALA A 52 15.626 3.237 -2.079 1.00 0.00 N ATOM 848 CA ALA A 52 15.928 4.512 -1.438 1.00 0.00 C ATOM 849 C ALA A 52 16.358 5.558 -2.462 1.00 0.00 C ATOM 850 O ALA A 52 16.206 6.760 -2.237 1.00 0.00 O ATOM 851 CB ALA A 52 17.008 4.329 -0.384 1.00 0.00 C ATOM 0 H ALA A 52 16.121 2.438 -1.683 1.00 0.00 H new ATOM 0 HA ALA A 52 15.019 4.870 -0.955 1.00 0.00 H new ATOM 0 HB1 ALA A 52 17.224 5.288 0.086 1.00 0.00 H new ATOM 0 HB2 ALA A 52 16.663 3.624 0.372 1.00 0.00 H new ATOM 0 HB3 ALA A 52 17.913 3.944 -0.854 1.00 0.00 H new ATOM 857 N ALA A 53 16.892 5.096 -3.587 1.00 0.00 N ATOM 858 CA ALA A 53 17.342 5.992 -4.645 1.00 0.00 C ATOM 859 C ALA A 53 16.164 6.567 -5.430 1.00 0.00 C ATOM 860 O ALA A 53 16.338 7.470 -6.248 1.00 0.00 O ATOM 861 CB ALA A 53 18.295 5.265 -5.580 1.00 0.00 C ATOM 0 H ALA A 53 17.024 4.105 -3.790 1.00 0.00 H new ATOM 0 HA ALA A 53 17.868 6.824 -4.177 1.00 0.00 H new ATOM 0 HB1 ALA A 53 18.624 5.945 -6.366 1.00 0.00 H new ATOM 0 HB2 ALA A 53 19.161 4.915 -5.017 1.00 0.00 H new ATOM 0 HB3 ALA A 53 17.785 4.412 -6.028 1.00 0.00 H new ATOM 867 N SER A 54 14.966 6.039 -5.184 1.00 0.00 N ATOM 868 CA SER A 54 13.771 6.509 -5.878 1.00 0.00 C ATOM 869 C SER A 54 12.674 6.899 -4.890 1.00 0.00 C ATOM 870 O SER A 54 12.012 7.922 -5.056 1.00 0.00 O ATOM 871 CB SER A 54 13.252 5.426 -6.827 1.00 0.00 C ATOM 872 OG SER A 54 14.286 4.951 -7.672 1.00 0.00 O ATOM 0 H SER A 54 14.799 5.289 -4.513 1.00 0.00 H new ATOM 0 HA SER A 54 14.044 7.394 -6.453 1.00 0.00 H new ATOM 0 HB2 SER A 54 12.841 4.598 -6.249 1.00 0.00 H new ATOM 0 HB3 SER A 54 12.439 5.827 -7.432 1.00 0.00 H new ATOM 0 HG SER A 54 13.930 4.259 -8.267 1.00 0.00 H new ATOM 878 N LEU A 55 12.482 6.072 -3.868 1.00 0.00 N ATOM 879 CA LEU A 55 11.458 6.326 -2.858 1.00 0.00 C ATOM 880 C LEU A 55 11.658 7.686 -2.191 1.00 0.00 C ATOM 881 O LEU A 55 10.693 8.389 -1.895 1.00 0.00 O ATOM 882 CB LEU A 55 11.464 5.211 -1.805 1.00 0.00 C ATOM 883 CG LEU A 55 12.464 5.389 -0.658 1.00 0.00 C ATOM 884 CD1 LEU A 55 11.872 6.266 0.433 1.00 0.00 C ATOM 885 CD2 LEU A 55 12.870 4.036 -0.094 1.00 0.00 C ATOM 0 H LEU A 55 13.021 5.220 -3.716 1.00 0.00 H new ATOM 0 HA LEU A 55 10.490 6.339 -3.358 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.463 5.131 -1.381 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.676 4.265 -2.304 1.00 0.00 H new ATOM 0 HG LEU A 55 13.355 5.881 -1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.596 6.382 1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.629 7.245 0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.966 5.801 0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.581 4.180 0.720 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.987 3.519 0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.333 3.439 -0.879 1.00 0.00 H new ATOM 897 N LEU A 56 12.914 8.046 -1.952 1.00 0.00 N ATOM 898 CA LEU A 56 13.235 9.318 -1.312 1.00 0.00 C ATOM 899 C LEU A 56 13.646 10.369 -2.341 1.00 0.00 C ATOM 900 O LEU A 56 13.550 11.569 -2.086 1.00 0.00 O ATOM 901 CB LEU A 56 14.356 9.128 -0.289 1.00 0.00 C ATOM 902 CG LEU A 56 14.315 10.087 0.901 1.00 0.00 C ATOM 903 CD1 LEU A 56 14.596 11.512 0.448 1.00 0.00 C ATOM 904 CD2 LEU A 56 12.968 10.005 1.605 1.00 0.00 C ATOM 0 H LEU A 56 13.726 7.477 -2.191 1.00 0.00 H new ATOM 0 HA LEU A 56 12.338 9.671 -0.803 1.00 0.00 H new ATOM 0 HB2 LEU A 56 14.315 8.105 0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.314 9.243 -0.796 1.00 0.00 H new ATOM 0 HG LEU A 56 15.091 9.793 1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.563 12.181 1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 56 15.584 11.560 -0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 56 13.843 11.818 -0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.956 10.694 2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.175 10.274 0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.806 8.989 1.964 1.00 0.00 H new ATOM 916 N ASN A 57 14.105 9.914 -3.503 1.00 0.00 N ATOM 917 CA ASN A 57 14.532 10.818 -4.562 1.00 0.00 C ATOM 918 C ASN A 57 13.395 11.752 -4.980 1.00 0.00 C ATOM 919 O ASN A 57 12.379 11.301 -5.509 1.00 0.00 O ATOM 920 CB ASN A 57 15.020 10.018 -5.772 1.00 0.00 C ATOM 921 CG ASN A 57 16.503 10.200 -6.027 1.00 0.00 C ATOM 922 OD1 ASN A 57 16.929 10.406 -7.163 1.00 0.00 O ATOM 923 ND2 ASN A 57 17.299 10.125 -4.967 1.00 0.00 N ATOM 0 H ASN A 57 14.190 8.924 -3.734 1.00 0.00 H new ATOM 0 HA ASN A 57 15.351 11.426 -4.178 1.00 0.00 H new ATOM 0 HB2 ASN A 57 14.809 8.960 -5.614 1.00 0.00 H new ATOM 0 HB3 ASN A 57 14.462 10.326 -6.656 1.00 0.00 H new ATOM 0 HD21 ASN A 57 18.307 10.240 -5.077 1.00 0.00 H new ATOM 0 HD22 ASN A 57 16.903 9.953 -4.043 1.00 0.00 H new ATOM 930 N PRO A 58 13.552 13.072 -4.758 1.00 0.00 N ATOM 931 CA PRO A 58 12.531 14.062 -5.125 1.00 0.00 C ATOM 932 C PRO A 58 12.347 14.177 -6.639 1.00 0.00 C ATOM 933 O PRO A 58 11.486 14.916 -7.113 1.00 0.00 O ATOM 934 CB PRO A 58 13.072 15.382 -4.556 1.00 0.00 C ATOM 935 CG PRO A 58 14.163 14.996 -3.616 1.00 0.00 C ATOM 936 CD PRO A 58 14.724 13.707 -4.139 1.00 0.00 C ATOM 0 HA PRO A 58 11.551 13.787 -4.735 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.449 16.026 -5.350 1.00 0.00 H new ATOM 0 HB3 PRO A 58 12.288 15.937 -4.040 1.00 0.00 H new ATOM 0 HG2 PRO A 58 14.932 15.767 -3.573 1.00 0.00 H new ATOM 0 HG3 PRO A 58 13.780 14.872 -2.603 1.00 0.00 H new ATOM 0 HD2 PRO A 58 15.522 13.876 -4.862 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.142 13.094 -3.341 1.00 0.00 H new ATOM 944 N TYR A 59 13.166 13.448 -7.392 1.00 0.00 N ATOM 945 CA TYR A 59 13.104 13.472 -8.846 1.00 0.00 C ATOM 946 C TYR A 59 12.014 12.540 -9.371 1.00 0.00 C ATOM 947 O TYR A 59 11.517 12.718 -10.483 1.00 0.00 O ATOM 948 CB TYR A 59 14.461 13.076 -9.426 1.00 0.00 C ATOM 949 CG TYR A 59 15.550 14.089 -9.152 1.00 0.00 C ATOM 950 CD1 TYR A 59 15.895 14.429 -7.849 1.00 0.00 C ATOM 951 CD2 TYR A 59 16.231 14.708 -10.192 1.00 0.00 C ATOM 952 CE1 TYR A 59 16.885 15.357 -7.592 1.00 0.00 C ATOM 953 CE2 TYR A 59 17.223 15.637 -9.943 1.00 0.00 C ATOM 954 CZ TYR A 59 17.545 15.958 -8.641 1.00 0.00 C ATOM 955 OH TYR A 59 18.533 16.883 -8.389 1.00 0.00 O ATOM 0 H TYR A 59 13.884 12.830 -7.014 1.00 0.00 H new ATOM 0 HA TYR A 59 12.856 14.485 -9.161 1.00 0.00 H new ATOM 0 HB2 TYR A 59 14.758 12.113 -9.011 1.00 0.00 H new ATOM 0 HB3 TYR A 59 14.362 12.942 -10.503 1.00 0.00 H new ATOM 0 HD1 TYR A 59 15.380 13.960 -7.024 1.00 0.00 H new ATOM 0 HD2 TYR A 59 15.981 14.459 -11.213 1.00 0.00 H new ATOM 0 HE1 TYR A 59 17.140 15.610 -6.574 1.00 0.00 H new ATOM 0 HE2 TYR A 59 17.743 16.109 -10.763 1.00 0.00 H new ATOM 0 HH TYR A 59 18.899 17.211 -9.237 1.00 0.00 H new ATOM 965 N VAL A 60 11.647 11.546 -8.566 1.00 0.00 N ATOM 966 CA VAL A 60 10.616 10.590 -8.954 1.00 0.00 C ATOM 967 C VAL A 60 9.318 11.297 -9.338 1.00 0.00 C ATOM 968 O VAL A 60 8.501 10.752 -10.080 1.00 0.00 O ATOM 969 CB VAL A 60 10.325 9.588 -7.821 1.00 0.00 C ATOM 970 CG1 VAL A 60 11.492 8.630 -7.643 1.00 0.00 C ATOM 971 CG2 VAL A 60 10.023 10.323 -6.523 1.00 0.00 C ATOM 0 H VAL A 60 12.048 11.383 -7.643 1.00 0.00 H new ATOM 0 HA VAL A 60 10.999 10.050 -9.820 1.00 0.00 H new ATOM 0 HB VAL A 60 9.446 9.004 -8.093 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.268 7.930 -6.838 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.655 8.079 -8.569 1.00 0.00 H new ATOM 0 HG13 VAL A 60 12.391 9.194 -7.394 1.00 0.00 H new ATOM 0 HG21 VAL A 60 9.820 9.599 -5.734 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.881 10.934 -6.243 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.152 10.963 -6.661 1.00 0.00 H new ATOM 981 N LYS A 61 9.135 12.513 -8.831 1.00 0.00 N ATOM 982 CA LYS A 61 7.938 13.291 -9.125 1.00 0.00 C ATOM 983 C LYS A 61 6.689 12.584 -8.608 1.00 0.00 C ATOM 984 O LYS A 61 6.779 11.616 -7.852 1.00 0.00 O ATOM 985 CB LYS A 61 7.818 13.533 -10.632 1.00 0.00 C ATOM 986 CG LYS A 61 7.503 14.975 -10.992 1.00 0.00 C ATOM 987 CD LYS A 61 7.252 15.135 -12.483 1.00 0.00 C ATOM 988 CE LYS A 61 6.176 16.172 -12.758 1.00 0.00 C ATOM 989 NZ LYS A 61 4.809 15.583 -12.702 1.00 0.00 N ATOM 0 H LYS A 61 9.801 12.980 -8.215 1.00 0.00 H new ATOM 0 HA LYS A 61 8.025 14.252 -8.617 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.751 13.242 -11.114 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.037 12.888 -11.034 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.626 15.306 -10.437 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.332 15.616 -10.691 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.177 15.428 -12.979 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.952 14.177 -12.908 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.254 16.978 -12.029 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.341 16.614 -13.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.104 16.323 -12.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.726 14.831 -13.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.642 15.184 -11.756 1.00 0.00 H new ATOM 1003 N ARG A 62 5.524 13.075 -9.019 1.00 0.00 N ATOM 1004 CA ARG A 62 4.257 12.490 -8.597 1.00 0.00 C ATOM 1005 C ARG A 62 3.673 11.605 -9.694 1.00 0.00 C ATOM 1006 O ARG A 62 3.550 10.392 -9.526 1.00 0.00 O ATOM 1007 CB ARG A 62 3.260 13.592 -8.231 1.00 0.00 C ATOM 1008 CG ARG A 62 2.218 13.157 -7.214 1.00 0.00 C ATOM 1009 CD ARG A 62 1.254 12.138 -7.803 1.00 0.00 C ATOM 1010 NE ARG A 62 1.516 10.788 -7.308 1.00 0.00 N ATOM 1011 CZ ARG A 62 0.633 9.793 -7.369 1.00 0.00 C ATOM 1012 NH1 ARG A 62 -0.564 9.991 -7.906 1.00 0.00 N ATOM 1013 NH2 ARG A 62 0.951 8.596 -6.894 1.00 0.00 N ATOM 0 H ARG A 62 5.432 13.876 -9.644 1.00 0.00 H new ATOM 0 HA ARG A 62 4.446 11.872 -7.719 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.807 14.448 -7.835 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.754 13.928 -9.136 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.715 12.728 -6.343 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.661 14.028 -6.867 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.231 12.422 -7.557 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.335 12.148 -8.890 1.00 0.00 H new ATOM 0 HE ARG A 62 2.427 10.597 -6.892 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.812 10.909 -8.275 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.236 9.225 -7.950 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.871 8.438 -6.483 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.276 7.833 -6.940 1.00 0.00 H new ATOM 1027 N SER A 63 3.314 12.222 -10.816 1.00 0.00 N ATOM 1028 CA SER A 63 2.743 11.490 -11.942 1.00 0.00 C ATOM 1029 C SER A 63 3.691 10.397 -12.424 1.00 0.00 C ATOM 1030 O SER A 63 3.278 9.259 -12.648 1.00 0.00 O ATOM 1031 CB SER A 63 2.425 12.449 -13.090 1.00 0.00 C ATOM 1032 OG SER A 63 1.400 11.930 -13.921 1.00 0.00 O ATOM 0 H SER A 63 3.408 13.226 -10.970 1.00 0.00 H new ATOM 0 HA SER A 63 1.821 11.018 -11.604 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.117 13.414 -12.687 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.324 12.623 -13.682 1.00 0.00 H new ATOM 0 HG SER A 63 1.215 12.563 -14.646 1.00 0.00 H new ATOM 1038 N VAL A 64 4.961 10.750 -12.583 1.00 0.00 N ATOM 1039 CA VAL A 64 5.967 9.798 -13.038 1.00 0.00 C ATOM 1040 C VAL A 64 6.059 8.604 -12.094 1.00 0.00 C ATOM 1041 O VAL A 64 6.115 7.455 -12.533 1.00 0.00 O ATOM 1042 CB VAL A 64 7.355 10.458 -13.155 1.00 0.00 C ATOM 1043 CG1 VAL A 64 8.361 9.488 -13.755 1.00 0.00 C ATOM 1044 CG2 VAL A 64 7.273 11.732 -13.982 1.00 0.00 C ATOM 0 H VAL A 64 5.319 11.688 -12.404 1.00 0.00 H new ATOM 0 HA VAL A 64 5.655 9.454 -14.024 1.00 0.00 H new ATOM 0 HB VAL A 64 7.695 10.723 -12.154 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.334 9.973 -13.829 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.442 8.607 -13.118 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.029 9.188 -14.749 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.262 12.184 -14.053 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.910 11.494 -14.982 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.588 12.432 -13.504 1.00 0.00 H new ATOM 1054 N LYS A 65 6.073 8.883 -10.794 1.00 0.00 N ATOM 1055 CA LYS A 65 6.156 7.831 -9.788 1.00 0.00 C ATOM 1056 C LYS A 65 4.989 6.856 -9.921 1.00 0.00 C ATOM 1057 O LYS A 65 5.116 5.675 -9.595 1.00 0.00 O ATOM 1058 CB LYS A 65 6.173 8.441 -8.384 1.00 0.00 C ATOM 1059 CG LYS A 65 7.223 7.832 -7.469 1.00 0.00 C ATOM 1060 CD LYS A 65 6.659 6.671 -6.668 1.00 0.00 C ATOM 1061 CE LYS A 65 7.746 5.681 -6.278 1.00 0.00 C ATOM 1062 NZ LYS A 65 8.126 4.799 -7.416 1.00 0.00 N ATOM 0 H LYS A 65 6.028 9.828 -10.413 1.00 0.00 H new ATOM 0 HA LYS A 65 7.083 7.280 -9.948 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.351 9.513 -8.465 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.190 8.315 -7.930 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.069 7.488 -8.063 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.601 8.595 -6.789 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.172 7.050 -5.770 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.894 6.161 -7.254 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.625 6.224 -5.930 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.399 5.070 -5.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.028 3.804 -7.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.503 4.990 -8.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.113 4.986 -7.686 1.00 0.00 H new ATOM 1076 N VAL A 66 3.854 7.357 -10.399 1.00 0.00 N ATOM 1077 CA VAL A 66 2.668 6.528 -10.573 1.00 0.00 C ATOM 1078 C VAL A 66 2.890 5.467 -11.645 1.00 0.00 C ATOM 1079 O VAL A 66 2.608 4.287 -11.433 1.00 0.00 O ATOM 1080 CB VAL A 66 1.440 7.374 -10.956 1.00 0.00 C ATOM 1081 CG1 VAL A 66 0.179 6.525 -10.940 1.00 0.00 C ATOM 1082 CG2 VAL A 66 1.301 8.566 -10.022 1.00 0.00 C ATOM 0 H VAL A 66 3.731 8.332 -10.672 1.00 0.00 H new ATOM 0 HA VAL A 66 2.482 6.042 -9.615 1.00 0.00 H new ATOM 0 HB VAL A 66 1.583 7.750 -11.969 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.678 7.141 -11.213 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.281 5.708 -11.654 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.028 6.116 -9.941 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.428 9.152 -10.308 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.182 8.214 -8.997 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.194 9.188 -10.090 1.00 0.00 H new ATOM 1092 N LYS A 67 3.397 5.893 -12.798 1.00 0.00 N ATOM 1093 CA LYS A 67 3.655 4.977 -13.902 1.00 0.00 C ATOM 1094 C LYS A 67 4.689 3.927 -13.510 1.00 0.00 C ATOM 1095 O LYS A 67 4.640 2.790 -13.977 1.00 0.00 O ATOM 1096 CB LYS A 67 4.136 5.750 -15.132 1.00 0.00 C ATOM 1097 CG LYS A 67 3.008 6.210 -16.041 1.00 0.00 C ATOM 1098 CD LYS A 67 2.611 7.648 -15.752 1.00 0.00 C ATOM 1099 CE LYS A 67 3.414 8.627 -16.594 1.00 0.00 C ATOM 1100 NZ LYS A 67 3.139 8.464 -18.048 1.00 0.00 N ATOM 0 H LYS A 67 3.637 6.865 -12.991 1.00 0.00 H new ATOM 0 HA LYS A 67 2.722 4.468 -14.143 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.705 6.620 -14.804 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.818 5.120 -15.703 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.318 6.119 -17.082 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.144 5.559 -15.908 1.00 0.00 H new ATOM 0 HD2 LYS A 67 1.548 7.781 -15.953 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.765 7.864 -14.695 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.176 9.647 -16.291 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.478 8.479 -16.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.791 9.363 -18.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.014 8.189 -18.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.419 7.726 -18.185 1.00 0.00 H new ATOM 1114 N SER A 68 5.624 4.316 -12.649 1.00 0.00 N ATOM 1115 CA SER A 68 6.667 3.406 -12.194 1.00 0.00 C ATOM 1116 C SER A 68 6.095 2.351 -11.255 1.00 0.00 C ATOM 1117 O SER A 68 6.421 1.168 -11.363 1.00 0.00 O ATOM 1118 CB SER A 68 7.783 4.181 -11.493 1.00 0.00 C ATOM 1119 OG SER A 68 7.434 4.476 -10.151 1.00 0.00 O ATOM 0 H SER A 68 5.680 5.254 -12.253 1.00 0.00 H new ATOM 0 HA SER A 68 7.081 2.903 -13.068 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.703 3.597 -11.513 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.981 5.107 -12.033 1.00 0.00 H new ATOM 0 HG SER A 68 6.572 4.942 -10.132 1.00 0.00 H new ATOM 1125 N LEU A 69 5.238 2.783 -10.337 1.00 0.00 N ATOM 1126 CA LEU A 69 4.618 1.871 -9.384 1.00 0.00 C ATOM 1127 C LEU A 69 3.650 0.930 -10.094 1.00 0.00 C ATOM 1128 O LEU A 69 3.522 -0.238 -9.729 1.00 0.00 O ATOM 1129 CB LEU A 69 3.887 2.657 -8.293 1.00 0.00 C ATOM 1130 CG LEU A 69 4.257 2.272 -6.860 1.00 0.00 C ATOM 1131 CD1 LEU A 69 5.717 2.593 -6.581 1.00 0.00 C ATOM 1132 CD2 LEU A 69 3.353 2.986 -5.866 1.00 0.00 C ATOM 0 H LEU A 69 4.957 3.758 -10.233 1.00 0.00 H new ATOM 0 HA LEU A 69 5.403 1.274 -8.919 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.092 3.719 -8.432 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.814 2.519 -8.424 1.00 0.00 H new ATOM 0 HG LEU A 69 4.114 1.198 -6.744 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.962 2.312 -5.557 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.350 2.036 -7.271 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.887 3.661 -6.715 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.631 2.700 -4.851 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.464 4.064 -5.983 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.316 2.706 -6.051 1.00 0.00 H new ATOM 1144 N SER A 70 2.971 1.450 -11.112 1.00 0.00 N ATOM 1145 CA SER A 70 2.015 0.661 -11.877 1.00 0.00 C ATOM 1146 C SER A 70 2.725 -0.417 -12.686 1.00 0.00 C ATOM 1147 O SER A 70 2.233 -1.536 -12.812 1.00 0.00 O ATOM 1148 CB SER A 70 1.201 1.563 -12.806 1.00 0.00 C ATOM 1149 OG SER A 70 0.420 2.486 -12.066 1.00 0.00 O ATOM 0 H SER A 70 3.066 2.416 -11.426 1.00 0.00 H new ATOM 0 HA SER A 70 1.338 0.175 -11.174 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.872 2.103 -13.474 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.551 0.953 -13.433 1.00 0.00 H new ATOM 0 HG SER A 70 0.992 3.212 -11.741 1.00 0.00 H new ATOM 1155 N ASP A 71 3.893 -0.080 -13.220 1.00 0.00 N ATOM 1156 CA ASP A 71 4.670 -1.035 -13.998 1.00 0.00 C ATOM 1157 C ASP A 71 5.521 -1.884 -13.069 1.00 0.00 C ATOM 1158 O ASP A 71 5.792 -3.052 -13.347 1.00 0.00 O ATOM 1159 CB ASP A 71 5.553 -0.312 -15.017 1.00 0.00 C ATOM 1160 CG ASP A 71 6.185 -1.264 -16.012 1.00 0.00 C ATOM 1161 OD1 ASP A 71 5.446 -1.825 -16.848 1.00 0.00 O ATOM 1162 OD2 ASP A 71 7.419 -1.448 -15.957 1.00 0.00 O ATOM 0 H ASP A 71 4.320 0.842 -13.129 1.00 0.00 H new ATOM 0 HA ASP A 71 3.983 -1.683 -14.543 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.955 0.425 -15.553 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.337 0.234 -14.492 1.00 0.00 H new ATOM 1167 N MET A 72 5.925 -1.292 -11.952 1.00 0.00 N ATOM 1168 CA MET A 72 6.725 -1.997 -10.965 1.00 0.00 C ATOM 1169 C MET A 72 5.846 -2.932 -10.155 1.00 0.00 C ATOM 1170 O MET A 72 6.313 -3.960 -9.663 1.00 0.00 O ATOM 1171 CB MET A 72 7.439 -1.006 -10.042 1.00 0.00 C ATOM 1172 CG MET A 72 8.264 -1.672 -8.953 1.00 0.00 C ATOM 1173 SD MET A 72 8.834 -0.506 -7.702 1.00 0.00 S ATOM 1174 CE MET A 72 7.297 -0.133 -6.862 1.00 0.00 C ATOM 0 H MET A 72 5.710 -0.325 -11.709 1.00 0.00 H new ATOM 0 HA MET A 72 7.481 -2.585 -11.486 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.090 -0.369 -10.641 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.697 -0.356 -9.578 1.00 0.00 H new ATOM 0 HG2 MET A 72 7.668 -2.449 -8.475 1.00 0.00 H new ATOM 0 HG3 MET A 72 9.125 -2.164 -9.405 1.00 0.00 H new ATOM 0 HE1 MET A 72 7.457 0.681 -6.155 1.00 0.00 H new ATOM 0 HE2 MET A 72 6.546 0.165 -7.593 1.00 0.00 H new ATOM 0 HE3 MET A 72 6.951 -1.017 -6.326 1.00 0.00 H new ATOM 1184 N THR A 73 4.563 -2.593 -10.031 1.00 0.00 N ATOM 1185 CA THR A 73 3.650 -3.444 -9.292 1.00 0.00 C ATOM 1186 C THR A 73 3.534 -4.791 -9.980 1.00 0.00 C ATOM 1187 O THR A 73 3.328 -5.815 -9.328 1.00 0.00 O ATOM 1188 CB THR A 73 2.269 -2.815 -9.149 1.00 0.00 C ATOM 1189 OG1 THR A 73 1.471 -3.625 -8.319 1.00 0.00 O ATOM 1190 CG2 THR A 73 1.522 -2.658 -10.448 1.00 0.00 C ATOM 0 H THR A 73 4.145 -1.751 -10.426 1.00 0.00 H new ATOM 0 HA THR A 73 4.057 -3.573 -8.289 1.00 0.00 H new ATOM 0 HB THR A 73 2.445 -1.821 -8.737 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.939 -3.788 -7.474 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.550 -2.203 -10.256 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.094 -2.021 -11.122 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.380 -3.637 -10.907 1.00 0.00 H new ATOM 1198 N ALA A 74 3.692 -4.792 -11.304 1.00 0.00 N ATOM 1199 CA ALA A 74 3.628 -6.030 -12.064 1.00 0.00 C ATOM 1200 C ALA A 74 4.535 -7.075 -11.427 1.00 0.00 C ATOM 1201 O ALA A 74 4.285 -8.276 -11.524 1.00 0.00 O ATOM 1202 CB ALA A 74 4.024 -5.787 -13.513 1.00 0.00 C ATOM 0 H ALA A 74 3.863 -3.956 -11.863 1.00 0.00 H new ATOM 0 HA ALA A 74 2.603 -6.400 -12.051 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.970 -6.724 -14.067 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.343 -5.062 -13.960 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.042 -5.400 -13.552 1.00 0.00 H new ATOM 1208 N LYS A 75 5.590 -6.601 -10.762 1.00 0.00 N ATOM 1209 CA LYS A 75 6.530 -7.489 -10.094 1.00 0.00 C ATOM 1210 C LYS A 75 6.244 -7.575 -8.597 1.00 0.00 C ATOM 1211 O LYS A 75 6.637 -8.538 -7.940 1.00 0.00 O ATOM 1212 CB LYS A 75 7.966 -7.018 -10.328 1.00 0.00 C ATOM 1213 CG LYS A 75 8.608 -7.613 -11.570 1.00 0.00 C ATOM 1214 CD LYS A 75 8.193 -6.861 -12.825 1.00 0.00 C ATOM 1215 CE LYS A 75 9.195 -5.775 -13.180 1.00 0.00 C ATOM 1216 NZ LYS A 75 8.671 -4.858 -14.230 1.00 0.00 N ATOM 0 H LYS A 75 5.811 -5.609 -10.674 1.00 0.00 H new ATOM 0 HA LYS A 75 6.408 -8.485 -10.520 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.974 -5.931 -10.411 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.570 -7.276 -9.458 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.693 -7.585 -11.469 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.324 -8.661 -11.662 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.103 -7.560 -13.656 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.210 -6.415 -12.675 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.440 -5.201 -12.286 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.120 -6.234 -13.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.384 -4.132 -14.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.461 -5.401 -15.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.802 -4.400 -13.889 1.00 0.00 H new ATOM 1230 N GLU A 76 5.555 -6.569 -8.056 1.00 0.00 N ATOM 1231 CA GLU A 76 5.226 -6.558 -6.638 1.00 0.00 C ATOM 1232 C GLU A 76 4.133 -7.576 -6.331 1.00 0.00 C ATOM 1233 O GLU A 76 4.363 -8.540 -5.600 1.00 0.00 O ATOM 1234 CB GLU A 76 4.773 -5.161 -6.208 1.00 0.00 C ATOM 1235 CG GLU A 76 5.841 -4.093 -6.388 1.00 0.00 C ATOM 1236 CD GLU A 76 7.107 -4.398 -5.612 1.00 0.00 C ATOM 1237 OE1 GLU A 76 7.006 -4.688 -4.402 1.00 0.00 O ATOM 1238 OE2 GLU A 76 8.200 -4.348 -6.216 1.00 0.00 O ATOM 0 H GLU A 76 5.218 -5.759 -8.577 1.00 0.00 H new ATOM 0 HA GLU A 76 6.121 -6.829 -6.078 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.890 -4.881 -6.783 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.474 -5.191 -5.160 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.082 -4.000 -7.447 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.445 -3.130 -6.066 1.00 0.00 H new ATOM 1245 N LYS A 77 2.949 -7.351 -6.904 1.00 0.00 N ATOM 1246 CA LYS A 77 1.793 -8.236 -6.714 1.00 0.00 C ATOM 1247 C LYS A 77 0.487 -7.472 -6.920 1.00 0.00 C ATOM 1248 O LYS A 77 -0.510 -8.036 -7.373 1.00 0.00 O ATOM 1249 CB LYS A 77 1.793 -8.866 -5.315 1.00 0.00 C ATOM 1250 CG LYS A 77 2.319 -10.292 -5.289 1.00 0.00 C ATOM 1251 CD LYS A 77 2.822 -10.676 -3.907 1.00 0.00 C ATOM 1252 CE LYS A 77 4.007 -11.623 -3.989 1.00 0.00 C ATOM 1253 NZ LYS A 77 4.361 -12.187 -2.657 1.00 0.00 N ATOM 0 H LYS A 77 2.762 -6.553 -7.512 1.00 0.00 H new ATOM 0 HA LYS A 77 1.871 -9.030 -7.457 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.399 -8.252 -4.649 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.777 -8.855 -4.921 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.528 -10.978 -5.593 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.127 -10.396 -6.013 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.110 -9.778 -3.361 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.017 -11.147 -3.343 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.775 -12.436 -4.677 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.867 -11.094 -4.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.174 -12.828 -2.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.607 -11.414 -2.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.549 -12.714 -2.276 1.00 0.00 H new ATOM 1267 N PHE A 78 0.497 -6.187 -6.567 1.00 0.00 N ATOM 1268 CA PHE A 78 -0.684 -5.337 -6.693 1.00 0.00 C ATOM 1269 C PHE A 78 -1.332 -5.454 -8.047 1.00 0.00 C ATOM 1270 O PHE A 78 -0.857 -6.173 -8.926 1.00 0.00 O ATOM 1271 CB PHE A 78 -0.333 -3.869 -6.466 1.00 0.00 C ATOM 1272 CG PHE A 78 0.765 -3.673 -5.482 1.00 0.00 C ATOM 1273 CD1 PHE A 78 0.731 -4.324 -4.268 1.00 0.00 C ATOM 1274 CD2 PHE A 78 1.842 -2.866 -5.786 1.00 0.00 C ATOM 1275 CE1 PHE A 78 1.760 -4.171 -3.364 1.00 0.00 C ATOM 1276 CE2 PHE A 78 2.872 -2.702 -4.888 1.00 0.00 C ATOM 1277 CZ PHE A 78 2.834 -3.357 -3.673 1.00 0.00 C ATOM 0 H PHE A 78 1.316 -5.711 -6.189 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.382 -5.684 -5.931 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.044 -3.420 -7.416 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.221 -3.339 -6.120 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.108 -4.959 -4.023 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.877 -2.358 -6.738 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.727 -4.686 -2.415 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.707 -2.063 -5.133 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.641 -3.234 -2.966 1.00 0.00 H new ATOM 1287 N SER A 79 -2.411 -4.697 -8.196 1.00 0.00 N ATOM 1288 CA SER A 79 -3.175 -4.633 -9.436 1.00 0.00 C ATOM 1289 C SER A 79 -4.670 -4.499 -9.168 1.00 0.00 C ATOM 1290 O SER A 79 -5.357 -3.737 -9.847 1.00 0.00 O ATOM 1291 CB SER A 79 -2.933 -5.856 -10.330 1.00 0.00 C ATOM 1292 OG SER A 79 -1.780 -5.680 -11.136 1.00 0.00 O ATOM 0 H SER A 79 -2.784 -4.105 -7.454 1.00 0.00 H new ATOM 0 HA SER A 79 -2.823 -3.744 -9.959 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.815 -6.745 -9.711 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.803 -6.023 -10.966 1.00 0.00 H new ATOM 0 HG SER A 79 -0.992 -5.579 -10.562 1.00 0.00 H new ATOM 1298 N PRO A 80 -5.220 -5.280 -8.225 1.00 0.00 N ATOM 1299 CA PRO A 80 -6.637 -5.266 -7.939 1.00 0.00 C ATOM 1300 C PRO A 80 -7.044 -4.458 -6.712 1.00 0.00 C ATOM 1301 O PRO A 80 -7.702 -3.427 -6.845 1.00 0.00 O ATOM 1302 CB PRO A 80 -6.920 -6.751 -7.729 1.00 0.00 C ATOM 1303 CG PRO A 80 -5.632 -7.329 -7.203 1.00 0.00 C ATOM 1304 CD PRO A 80 -4.544 -6.293 -7.414 1.00 0.00 C ATOM 0 HA PRO A 80 -7.202 -4.782 -8.736 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.736 -6.900 -7.022 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.215 -7.231 -8.662 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.727 -7.575 -6.145 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.386 -8.254 -7.725 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.186 -5.883 -6.470 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.679 -6.713 -7.928 1.00 0.00 H new ATOM 1312 N LEU A 81 -6.672 -4.914 -5.522 1.00 0.00 N ATOM 1313 CA LEU A 81 -7.040 -4.194 -4.315 1.00 0.00 C ATOM 1314 C LEU A 81 -5.902 -3.302 -3.876 1.00 0.00 C ATOM 1315 O LEU A 81 -5.934 -2.704 -2.800 1.00 0.00 O ATOM 1316 CB LEU A 81 -7.410 -5.163 -3.199 1.00 0.00 C ATOM 1317 CG LEU A 81 -8.858 -5.660 -3.233 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -9.823 -4.516 -2.949 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -9.168 -6.300 -4.577 1.00 0.00 C ATOM 0 H LEU A 81 -6.126 -5.762 -5.370 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.911 -3.577 -4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.744 -6.024 -3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.230 -4.677 -2.240 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.983 -6.414 -2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.847 -4.888 -2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.615 -4.101 -1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.698 -3.739 -3.703 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.201 -6.648 -4.585 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.026 -5.566 -5.371 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.499 -7.145 -4.740 1.00 0.00 H new ATOM 1331 N THR A 82 -4.895 -3.222 -4.725 1.00 0.00 N ATOM 1332 CA THR A 82 -3.735 -2.416 -4.455 1.00 0.00 C ATOM 1333 C THR A 82 -3.428 -1.493 -5.628 1.00 0.00 C ATOM 1334 O THR A 82 -2.494 -0.699 -5.566 1.00 0.00 O ATOM 1335 CB THR A 82 -2.549 -3.317 -4.156 1.00 0.00 C ATOM 1336 OG1 THR A 82 -2.954 -4.674 -4.096 1.00 0.00 O ATOM 1337 CG2 THR A 82 -1.865 -2.978 -2.848 1.00 0.00 C ATOM 0 H THR A 82 -4.864 -3.715 -5.617 1.00 0.00 H new ATOM 0 HA THR A 82 -3.936 -1.790 -3.586 1.00 0.00 H new ATOM 0 HB THR A 82 -1.843 -3.156 -4.971 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.495 -4.819 -3.292 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.026 -3.656 -2.690 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.500 -1.951 -2.883 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.576 -3.083 -2.028 1.00 0.00 H new ATOM 1345 N SER A 83 -4.229 -1.576 -6.696 1.00 0.00 N ATOM 1346 CA SER A 83 -4.017 -0.712 -7.848 1.00 0.00 C ATOM 1347 C SER A 83 -4.773 0.599 -7.672 1.00 0.00 C ATOM 1348 O SER A 83 -5.179 1.245 -8.638 1.00 0.00 O ATOM 1349 CB SER A 83 -4.455 -1.392 -9.139 1.00 0.00 C ATOM 1350 OG SER A 83 -4.404 -0.493 -10.233 1.00 0.00 O ATOM 0 H SER A 83 -5.014 -2.222 -6.781 1.00 0.00 H new ATOM 0 HA SER A 83 -2.949 -0.506 -7.916 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.812 -2.249 -9.338 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.469 -1.775 -9.026 1.00 0.00 H new ATOM 0 HG SER A 83 -4.870 0.336 -9.997 1.00 0.00 H new ATOM 1356 N ASN A 84 -4.934 0.979 -6.418 1.00 0.00 N ATOM 1357 CA ASN A 84 -5.609 2.205 -6.035 1.00 0.00 C ATOM 1358 C ASN A 84 -4.892 2.736 -4.815 1.00 0.00 C ATOM 1359 O ASN A 84 -4.545 3.914 -4.731 1.00 0.00 O ATOM 1360 CB ASN A 84 -7.085 1.945 -5.724 1.00 0.00 C ATOM 1361 CG ASN A 84 -7.946 1.939 -6.971 1.00 0.00 C ATOM 1362 OD1 ASN A 84 -8.278 0.880 -7.505 1.00 0.00 O ATOM 1363 ND2 ASN A 84 -8.312 3.125 -7.444 1.00 0.00 N ATOM 0 H ASN A 84 -4.594 0.436 -5.624 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.582 2.929 -6.849 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.183 0.987 -5.214 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.449 2.710 -5.038 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.891 3.183 -8.282 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -8.014 3.977 -6.970 1.00 0.00 H new ATOM 1370 N LEU A 85 -4.615 1.818 -3.897 1.00 0.00 N ATOM 1371 CA LEU A 85 -3.872 2.136 -2.703 1.00 0.00 C ATOM 1372 C LEU A 85 -2.432 2.447 -3.102 1.00 0.00 C ATOM 1373 O LEU A 85 -1.695 3.088 -2.353 1.00 0.00 O ATOM 1374 CB LEU A 85 -3.915 0.962 -1.716 1.00 0.00 C ATOM 1375 CG LEU A 85 -2.973 1.084 -0.515 1.00 0.00 C ATOM 1376 CD1 LEU A 85 -3.511 2.096 0.484 1.00 0.00 C ATOM 1377 CD2 LEU A 85 -2.777 -0.270 0.148 1.00 0.00 C ATOM 0 H LEU A 85 -4.901 0.841 -3.966 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.315 3.001 -2.209 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.935 0.855 -1.348 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.673 0.046 -2.255 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.004 1.435 -0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.829 2.169 1.331 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.599 3.070 0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.492 1.775 0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.105 -0.164 0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.739 -0.650 0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.346 -0.968 -0.570 1.00 0.00 H new ATOM 1389 N ILE A 86 -2.036 1.993 -4.304 1.00 0.00 N ATOM 1390 CA ILE A 86 -0.690 2.241 -4.795 1.00 0.00 C ATOM 1391 C ILE A 86 -0.515 3.716 -5.147 1.00 0.00 C ATOM 1392 O ILE A 86 0.413 4.372 -4.676 1.00 0.00 O ATOM 1393 CB ILE A 86 -0.351 1.348 -6.022 1.00 0.00 C ATOM 1394 CG1 ILE A 86 0.627 0.244 -5.616 1.00 0.00 C ATOM 1395 CG2 ILE A 86 0.230 2.165 -7.173 1.00 0.00 C ATOM 1396 CD1 ILE A 86 0.028 -0.777 -4.676 1.00 0.00 C ATOM 0 H ILE A 86 -2.629 1.459 -4.939 1.00 0.00 H new ATOM 0 HA ILE A 86 0.005 1.982 -3.996 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.281 0.898 -6.370 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.982 -0.264 -6.513 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.497 0.697 -5.141 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.454 1.505 -8.011 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.494 2.917 -7.487 1.00 0.00 H new ATOM 0 HG23 ILE A 86 1.145 2.657 -6.844 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.778 -1.529 -4.431 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.302 -0.282 -3.763 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.825 -1.257 -5.156 1.00 0.00 H new ATOM 1408 N ASN A 87 -1.418 4.228 -5.976 1.00 0.00 N ATOM 1409 CA ASN A 87 -1.372 5.623 -6.392 1.00 0.00 C ATOM 1410 C ASN A 87 -1.709 6.545 -5.225 1.00 0.00 C ATOM 1411 O ASN A 87 -1.274 7.696 -5.183 1.00 0.00 O ATOM 1412 CB ASN A 87 -2.347 5.866 -7.546 1.00 0.00 C ATOM 1413 CG ASN A 87 -1.823 6.878 -8.543 1.00 0.00 C ATOM 1414 OD1 ASN A 87 -0.676 7.317 -8.454 1.00 0.00 O ATOM 1415 ND2 ASN A 87 -2.662 7.255 -9.501 1.00 0.00 N ATOM 0 H ASN A 87 -2.192 3.696 -6.373 1.00 0.00 H new ATOM 0 HA ASN A 87 -0.360 5.844 -6.730 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.542 4.924 -8.058 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.299 6.214 -7.146 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.364 7.934 -10.201 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.604 6.865 -9.537 1.00 0.00 H new ATOM 1422 N LEU A 88 -2.487 6.030 -4.277 1.00 0.00 N ATOM 1423 CA LEU A 88 -2.883 6.804 -3.109 1.00 0.00 C ATOM 1424 C LEU A 88 -1.745 6.883 -2.098 1.00 0.00 C ATOM 1425 O LEU A 88 -1.584 7.890 -1.409 1.00 0.00 O ATOM 1426 CB LEU A 88 -4.120 6.184 -2.454 1.00 0.00 C ATOM 1427 CG LEU A 88 -5.047 7.178 -1.754 1.00 0.00 C ATOM 1428 CD1 LEU A 88 -5.817 8.002 -2.774 1.00 0.00 C ATOM 1429 CD2 LEU A 88 -6.006 6.446 -0.825 1.00 0.00 C ATOM 0 H LEU A 88 -2.855 5.079 -4.297 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.123 7.815 -3.439 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.690 5.654 -3.217 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.793 5.441 -1.727 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.437 7.856 -1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.471 8.703 -2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.116 8.554 -3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.417 7.340 -3.398 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.659 7.168 -0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.609 5.745 -1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.438 5.900 -0.072 1.00 0.00 H new ATOM 1441 N LEU A 89 -0.953 5.817 -2.015 1.00 0.00 N ATOM 1442 CA LEU A 89 0.170 5.782 -1.086 1.00 0.00 C ATOM 1443 C LEU A 89 1.289 6.704 -1.557 1.00 0.00 C ATOM 1444 O LEU A 89 2.050 7.236 -0.750 1.00 0.00 O ATOM 1445 CB LEU A 89 0.690 4.352 -0.932 1.00 0.00 C ATOM 1446 CG LEU A 89 0.241 3.643 0.345 1.00 0.00 C ATOM 1447 CD1 LEU A 89 0.512 2.148 0.255 1.00 0.00 C ATOM 1448 CD2 LEU A 89 0.940 4.245 1.556 1.00 0.00 C ATOM 0 H LEU A 89 -1.068 4.973 -2.576 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.179 6.134 -0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.362 3.766 -1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 89 1.780 4.372 -0.957 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.834 3.785 0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.185 1.663 1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.034 1.729 -0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.580 1.980 0.116 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.611 3.731 2.459 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.019 4.132 1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.692 5.304 1.631 1.00 0.00 H new ATOM 1460 N ALA A 90 1.376 6.897 -2.869 1.00 0.00 N ATOM 1461 CA ALA A 90 2.393 7.763 -3.448 1.00 0.00 C ATOM 1462 C ALA A 90 1.763 9.010 -4.059 1.00 0.00 C ATOM 1463 O ALA A 90 2.333 9.628 -4.958 1.00 0.00 O ATOM 1464 CB ALA A 90 3.196 7.006 -4.496 1.00 0.00 C ATOM 0 H ALA A 90 0.753 6.464 -3.551 1.00 0.00 H new ATOM 0 HA ALA A 90 3.066 8.079 -2.651 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.953 7.665 -4.921 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.682 6.148 -4.032 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.529 6.662 -5.287 1.00 0.00 H new ATOM 1470 N GLU A 91 0.581 9.374 -3.568 1.00 0.00 N ATOM 1471 CA GLU A 91 -0.126 10.547 -4.067 1.00 0.00 C ATOM 1472 C GLU A 91 0.239 11.787 -3.258 1.00 0.00 C ATOM 1473 O GLU A 91 0.719 12.779 -3.807 1.00 0.00 O ATOM 1474 CB GLU A 91 -1.639 10.315 -4.019 1.00 0.00 C ATOM 1475 CG GLU A 91 -2.334 10.560 -5.348 1.00 0.00 C ATOM 1476 CD GLU A 91 -3.844 10.485 -5.238 1.00 0.00 C ATOM 1477 OE1 GLU A 91 -4.378 10.809 -4.157 1.00 0.00 O ATOM 1478 OE2 GLU A 91 -4.493 10.101 -6.233 1.00 0.00 O ATOM 0 H GLU A 91 0.094 8.873 -2.825 1.00 0.00 H new ATOM 0 HA GLU A 91 0.176 10.711 -5.102 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.831 9.290 -3.701 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.075 10.970 -3.264 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.049 11.541 -5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.989 9.825 -6.075 1.00 0.00 H new ATOM 1485 N ASN A 92 0.006 11.726 -1.951 1.00 0.00 N ATOM 1486 CA ASN A 92 0.310 12.846 -1.070 1.00 0.00 C ATOM 1487 C ASN A 92 1.558 12.570 -0.235 1.00 0.00 C ATOM 1488 O ASN A 92 1.766 13.191 0.808 1.00 0.00 O ATOM 1489 CB ASN A 92 -0.879 13.134 -0.151 1.00 0.00 C ATOM 1490 CG ASN A 92 -1.897 14.054 -0.794 1.00 0.00 C ATOM 1491 OD1 ASN A 92 -1.619 14.697 -1.806 1.00 0.00 O ATOM 1492 ND2 ASN A 92 -3.087 14.122 -0.207 1.00 0.00 N ATOM 0 H ASN A 92 -0.392 10.914 -1.480 1.00 0.00 H new ATOM 0 HA ASN A 92 0.503 13.719 -1.693 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.362 12.195 0.119 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -0.519 13.585 0.774 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -3.813 14.725 -0.594 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.275 13.571 0.631 1.00 0.00 H new ATOM 1499 N GLY A 93 2.385 11.637 -0.696 1.00 0.00 N ATOM 1500 CA GLY A 93 3.598 11.302 0.024 1.00 0.00 C ATOM 1501 C GLY A 93 3.333 10.393 1.207 1.00 0.00 C ATOM 1502 O GLY A 93 4.082 10.402 2.185 1.00 0.00 O ATOM 0 H GLY A 93 2.236 11.108 -1.555 1.00 0.00 H new ATOM 0 HA2 GLY A 93 4.298 10.816 -0.655 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.076 12.218 0.372 1.00 0.00 H new ATOM 1506 N ARG A 94 2.265 9.609 1.119 1.00 0.00 N ATOM 1507 CA ARG A 94 1.902 8.691 2.191 1.00 0.00 C ATOM 1508 C ARG A 94 2.986 7.640 2.402 1.00 0.00 C ATOM 1509 O ARG A 94 3.112 7.078 3.490 1.00 0.00 O ATOM 1510 CB ARG A 94 0.567 8.013 1.883 1.00 0.00 C ATOM 1511 CG ARG A 94 -0.636 8.918 2.093 1.00 0.00 C ATOM 1512 CD ARG A 94 -1.135 8.857 3.528 1.00 0.00 C ATOM 1513 NE ARG A 94 -0.706 10.016 4.306 1.00 0.00 N ATOM 1514 CZ ARG A 94 -1.291 11.210 4.242 1.00 0.00 C ATOM 1515 NH1 ARG A 94 -2.328 11.406 3.438 1.00 0.00 N ATOM 1516 NH2 ARG A 94 -0.837 12.211 4.985 1.00 0.00 N ATOM 0 H ARG A 94 1.636 9.591 0.317 1.00 0.00 H new ATOM 0 HA ARG A 94 1.802 9.269 3.109 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.575 7.666 0.850 1.00 0.00 H new ATOM 0 HB3 ARG A 94 0.462 7.131 2.515 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.368 9.945 1.843 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.437 8.623 1.415 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -2.224 8.801 3.531 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -0.768 7.946 4.001 1.00 0.00 H new ATOM 0 HE ARG A 94 0.089 9.904 4.936 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -2.681 10.640 2.865 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -2.772 12.323 3.393 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -0.040 12.065 5.605 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -1.285 13.126 4.936 1.00 0.00 H new ATOM 1530 N LEU A 95 3.773 7.382 1.361 1.00 0.00 N ATOM 1531 CA LEU A 95 4.849 6.402 1.446 1.00 0.00 C ATOM 1532 C LEU A 95 5.781 6.731 2.607 1.00 0.00 C ATOM 1533 O LEU A 95 5.552 7.691 3.342 1.00 0.00 O ATOM 1534 CB LEU A 95 5.637 6.358 0.135 1.00 0.00 C ATOM 1535 CG LEU A 95 4.922 5.667 -1.028 1.00 0.00 C ATOM 1536 CD1 LEU A 95 5.672 5.900 -2.330 1.00 0.00 C ATOM 1537 CD2 LEU A 95 4.774 4.178 -0.755 1.00 0.00 C ATOM 0 H LEU A 95 3.686 7.837 0.452 1.00 0.00 H new ATOM 0 HA LEU A 95 4.406 5.422 1.621 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.877 7.379 -0.161 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.583 5.848 0.315 1.00 0.00 H new ATOM 0 HG LEU A 95 3.926 6.099 -1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.149 5.401 -3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.725 6.970 -2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.681 5.497 -2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.263 3.703 -1.593 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.760 3.731 -0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.192 4.031 0.155 1.00 0.00 H new ATOM 1549 N THR A 96 6.821 5.917 2.775 1.00 0.00 N ATOM 1550 CA THR A 96 7.788 6.102 3.860 1.00 0.00 C ATOM 1551 C THR A 96 7.260 5.469 5.140 1.00 0.00 C ATOM 1552 O THR A 96 7.935 4.651 5.765 1.00 0.00 O ATOM 1553 CB THR A 96 8.097 7.587 4.089 1.00 0.00 C ATOM 1554 OG1 THR A 96 7.948 8.323 2.886 1.00 0.00 O ATOM 1555 CG2 THR A 96 9.499 7.833 4.603 1.00 0.00 C ATOM 0 H THR A 96 7.018 5.119 2.172 1.00 0.00 H new ATOM 0 HA THR A 96 8.717 5.610 3.572 1.00 0.00 H new ATOM 0 HB THR A 96 7.384 7.916 4.845 1.00 0.00 H new ATOM 0 HG1 THR A 96 7.035 8.674 2.828 1.00 0.00 H new ATOM 0 HG21 THR A 96 9.652 8.903 4.744 1.00 0.00 H new ATOM 0 HG22 THR A 96 9.633 7.319 5.555 1.00 0.00 H new ATOM 0 HG23 THR A 96 10.223 7.454 3.881 1.00 0.00 H new ATOM 1563 N ASN A 97 6.034 5.830 5.510 1.00 0.00 N ATOM 1564 CA ASN A 97 5.401 5.273 6.697 1.00 0.00 C ATOM 1565 C ASN A 97 4.486 4.114 6.308 1.00 0.00 C ATOM 1566 O ASN A 97 3.570 3.755 7.048 1.00 0.00 O ATOM 1567 CB ASN A 97 4.602 6.352 7.432 1.00 0.00 C ATOM 1568 CG ASN A 97 5.492 7.408 8.056 1.00 0.00 C ATOM 1569 OD1 ASN A 97 6.108 7.181 9.096 1.00 0.00 O ATOM 1570 ND2 ASN A 97 5.562 8.573 7.420 1.00 0.00 N ATOM 0 H ASN A 97 5.461 6.505 5.004 1.00 0.00 H new ATOM 0 HA ASN A 97 6.178 4.901 7.365 1.00 0.00 H new ATOM 0 HB2 ASN A 97 3.913 6.828 6.734 1.00 0.00 H new ATOM 0 HB3 ASN A 97 3.997 5.885 8.209 1.00 0.00 H new ATOM 0 HD21 ASN A 97 6.144 9.323 7.792 1.00 0.00 H new ATOM 0 HD22 ASN A 97 5.033 8.717 6.560 1.00 0.00 H new ATOM 1577 N THR A 98 4.743 3.539 5.132 1.00 0.00 N ATOM 1578 CA THR A 98 3.952 2.426 4.618 1.00 0.00 C ATOM 1579 C THR A 98 3.698 1.365 5.691 1.00 0.00 C ATOM 1580 O THR A 98 2.559 0.947 5.900 1.00 0.00 O ATOM 1581 CB THR A 98 4.654 1.790 3.414 1.00 0.00 C ATOM 1582 OG1 THR A 98 5.774 2.562 3.019 1.00 0.00 O ATOM 1583 CG2 THR A 98 3.752 1.642 2.209 1.00 0.00 C ATOM 0 H THR A 98 5.501 3.831 4.515 1.00 0.00 H new ATOM 0 HA THR A 98 2.986 2.826 4.308 1.00 0.00 H new ATOM 0 HB THR A 98 4.958 0.798 3.747 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.113 2.231 2.161 1.00 0.00 H new ATOM 0 HG21 THR A 98 4.309 1.185 1.391 1.00 0.00 H new ATOM 0 HG22 THR A 98 2.902 1.010 2.466 1.00 0.00 H new ATOM 0 HG23 THR A 98 3.394 2.624 1.900 1.00 0.00 H new ATOM 1591 N PRO A 99 4.760 0.910 6.382 1.00 0.00 N ATOM 1592 CA PRO A 99 4.646 -0.110 7.430 1.00 0.00 C ATOM 1593 C PRO A 99 3.445 0.110 8.345 1.00 0.00 C ATOM 1594 O PRO A 99 2.646 -0.800 8.562 1.00 0.00 O ATOM 1595 CB PRO A 99 5.952 0.053 8.203 1.00 0.00 C ATOM 1596 CG PRO A 99 6.933 0.507 7.178 1.00 0.00 C ATOM 1597 CD PRO A 99 6.158 1.348 6.195 1.00 0.00 C ATOM 0 HA PRO A 99 4.492 -1.107 7.017 1.00 0.00 H new ATOM 0 HB2 PRO A 99 5.850 0.782 9.007 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.262 -0.886 8.662 1.00 0.00 H new ATOM 0 HG2 PRO A 99 7.735 1.085 7.637 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.398 -0.344 6.680 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.275 2.412 6.400 1.00 0.00 H new ATOM 0 HD3 PRO A 99 6.496 1.181 5.172 1.00 0.00 H new ATOM 1605 N ALA A 100 3.320 1.320 8.878 1.00 0.00 N ATOM 1606 CA ALA A 100 2.212 1.648 9.766 1.00 0.00 C ATOM 1607 C ALA A 100 0.873 1.469 9.057 1.00 0.00 C ATOM 1608 O ALA A 100 -0.139 1.169 9.690 1.00 0.00 O ATOM 1609 CB ALA A 100 2.351 3.070 10.288 1.00 0.00 C ATOM 0 H ALA A 100 3.970 2.088 8.711 1.00 0.00 H new ATOM 0 HA ALA A 100 2.242 0.962 10.612 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.515 3.298 10.949 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.287 3.165 10.839 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.351 3.767 9.450 1.00 0.00 H new ATOM 1615 N VAL A 101 0.876 1.652 7.740 1.00 0.00 N ATOM 1616 CA VAL A 101 -0.339 1.506 6.947 1.00 0.00 C ATOM 1617 C VAL A 101 -0.751 0.041 6.840 1.00 0.00 C ATOM 1618 O VAL A 101 -1.926 -0.270 6.641 1.00 0.00 O ATOM 1619 CB VAL A 101 -0.161 2.081 5.527 1.00 0.00 C ATOM 1620 CG1 VAL A 101 -1.482 2.063 4.772 1.00 0.00 C ATOM 1621 CG2 VAL A 101 0.405 3.493 5.587 1.00 0.00 C ATOM 0 H VAL A 101 1.705 1.901 7.201 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.120 2.067 7.461 1.00 0.00 H new ATOM 0 HB VAL A 101 0.548 1.452 4.989 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.335 2.473 3.773 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.843 1.037 4.695 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.215 2.666 5.307 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.523 3.881 4.575 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.277 4.135 6.144 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.375 3.475 6.084 1.00 0.00 H new ATOM 1631 N ILE A 102 0.221 -0.857 6.974 1.00 0.00 N ATOM 1632 CA ILE A 102 -0.042 -2.288 6.890 1.00 0.00 C ATOM 1633 C ILE A 102 -0.436 -2.856 8.251 1.00 0.00 C ATOM 1634 O ILE A 102 -1.203 -3.816 8.335 1.00 0.00 O ATOM 1635 CB ILE A 102 1.187 -3.056 6.364 1.00 0.00 C ATOM 1636 CG1 ILE A 102 1.701 -2.418 5.071 1.00 0.00 C ATOM 1637 CG2 ILE A 102 0.844 -4.522 6.139 1.00 0.00 C ATOM 1638 CD1 ILE A 102 3.209 -2.441 4.944 1.00 0.00 C ATOM 0 H ILE A 102 1.198 -0.617 7.141 1.00 0.00 H new ATOM 0 HA ILE A 102 -0.869 -2.416 6.191 1.00 0.00 H new ATOM 0 HB ILE A 102 1.977 -3.001 7.113 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.265 -2.940 4.219 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.356 -1.385 5.023 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.723 -5.049 5.768 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.524 -4.969 7.080 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.039 -4.599 5.408 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.502 -1.973 4.004 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.653 -1.894 5.776 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.560 -3.473 4.960 1.00 0.00 H new ATOM 1650 N SER A 103 0.095 -2.259 9.314 1.00 0.00 N ATOM 1651 CA SER A 103 -0.200 -2.708 10.671 1.00 0.00 C ATOM 1652 C SER A 103 -1.696 -2.640 10.957 1.00 0.00 C ATOM 1653 O SER A 103 -2.293 -3.608 11.427 1.00 0.00 O ATOM 1654 CB SER A 103 0.564 -1.859 11.688 1.00 0.00 C ATOM 1655 OG SER A 103 1.964 -2.008 11.528 1.00 0.00 O ATOM 0 H SER A 103 0.731 -1.464 9.262 1.00 0.00 H new ATOM 0 HA SER A 103 0.120 -3.746 10.759 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.291 -0.810 11.569 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.277 -2.151 12.698 1.00 0.00 H new ATOM 0 HG SER A 103 2.236 -1.634 10.664 1.00 0.00 H new ATOM 1661 N ALA A 104 -2.297 -1.491 10.667 1.00 0.00 N ATOM 1662 CA ALA A 104 -3.725 -1.298 10.889 1.00 0.00 C ATOM 1663 C ALA A 104 -4.548 -2.313 10.099 1.00 0.00 C ATOM 1664 O ALA A 104 -5.706 -2.575 10.423 1.00 0.00 O ATOM 1665 CB ALA A 104 -4.127 0.120 10.514 1.00 0.00 C ATOM 0 H ALA A 104 -1.817 -0.679 10.278 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.929 -1.454 11.948 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.196 0.252 10.684 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -3.571 0.830 11.127 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -3.903 0.296 9.462 1.00 0.00 H new ATOM 1671 N PHE A 105 -3.941 -2.881 9.061 1.00 0.00 N ATOM 1672 CA PHE A 105 -4.612 -3.867 8.221 1.00 0.00 C ATOM 1673 C PHE A 105 -4.783 -5.189 8.956 1.00 0.00 C ATOM 1674 O PHE A 105 -5.846 -5.805 8.905 1.00 0.00 O ATOM 1675 CB PHE A 105 -3.807 -4.096 6.938 1.00 0.00 C ATOM 1676 CG PHE A 105 -4.634 -4.517 5.754 1.00 0.00 C ATOM 1677 CD1 PHE A 105 -5.009 -5.843 5.578 1.00 0.00 C ATOM 1678 CD2 PHE A 105 -5.028 -3.585 4.809 1.00 0.00 C ATOM 1679 CE1 PHE A 105 -5.759 -6.224 4.485 1.00 0.00 C ATOM 1680 CE2 PHE A 105 -5.779 -3.963 3.716 1.00 0.00 C ATOM 1681 CZ PHE A 105 -6.144 -5.284 3.554 1.00 0.00 C ATOM 0 H PHE A 105 -2.982 -2.674 8.781 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.600 -3.480 7.971 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.276 -3.177 6.687 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -3.052 -4.859 7.128 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -4.710 -6.584 6.305 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.744 -2.550 4.929 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -6.044 -7.258 4.359 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -6.081 -3.226 2.987 1.00 0.00 H new ATOM 0 HZ PHE A 105 -6.731 -5.581 2.698 1.00 0.00 H new ATOM 1691 N SER A 106 -3.725 -5.627 9.628 1.00 0.00 N ATOM 1692 CA SER A 106 -3.761 -6.888 10.357 1.00 0.00 C ATOM 1693 C SER A 106 -4.597 -6.788 11.629 1.00 0.00 C ATOM 1694 O SER A 106 -4.860 -7.798 12.284 1.00 0.00 O ATOM 1695 CB SER A 106 -2.341 -7.348 10.697 1.00 0.00 C ATOM 1696 OG SER A 106 -2.362 -8.531 11.478 1.00 0.00 O ATOM 0 H SER A 106 -2.836 -5.130 9.683 1.00 0.00 H new ATOM 0 HA SER A 106 -4.233 -7.625 9.708 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.783 -7.525 9.778 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.820 -6.559 11.240 1.00 0.00 H new ATOM 0 HG SER A 106 -3.227 -8.608 11.932 1.00 0.00 H new ATOM 1702 N THR A 107 -5.026 -5.580 11.974 1.00 0.00 N ATOM 1703 CA THR A 107 -5.844 -5.384 13.163 1.00 0.00 C ATOM 1704 C THR A 107 -7.302 -5.247 12.769 1.00 0.00 C ATOM 1705 O THR A 107 -8.178 -5.856 13.383 1.00 0.00 O ATOM 1706 CB THR A 107 -5.378 -4.156 13.951 1.00 0.00 C ATOM 1707 OG1 THR A 107 -4.153 -3.665 13.438 1.00 0.00 O ATOM 1708 CG2 THR A 107 -5.179 -4.433 15.425 1.00 0.00 C ATOM 0 H THR A 107 -4.823 -4.728 11.452 1.00 0.00 H new ATOM 0 HA THR A 107 -5.734 -6.255 13.809 1.00 0.00 H new ATOM 0 HB THR A 107 -6.175 -3.421 13.839 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.874 -2.880 13.954 1.00 0.00 H new ATOM 0 HG21 THR A 107 -4.849 -3.522 15.925 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.120 -4.767 15.863 1.00 0.00 H new ATOM 0 HG23 THR A 107 -4.425 -5.210 15.551 1.00 0.00 H new ATOM 1716 N MET A 108 -7.558 -4.478 11.720 1.00 0.00 N ATOM 1717 CA MET A 108 -8.914 -4.318 11.238 1.00 0.00 C ATOM 1718 C MET A 108 -9.350 -5.596 10.543 1.00 0.00 C ATOM 1719 O MET A 108 -10.543 -5.856 10.387 1.00 0.00 O ATOM 1720 CB MET A 108 -9.019 -3.137 10.282 1.00 0.00 C ATOM 1721 CG MET A 108 -10.447 -2.674 10.044 1.00 0.00 C ATOM 1722 SD MET A 108 -10.931 -1.327 11.142 1.00 0.00 S ATOM 1723 CE MET A 108 -12.568 -1.862 11.635 1.00 0.00 C ATOM 0 H MET A 108 -6.851 -3.963 11.195 1.00 0.00 H new ATOM 0 HA MET A 108 -9.569 -4.119 12.087 1.00 0.00 H new ATOM 0 HB2 MET A 108 -8.437 -2.305 10.680 1.00 0.00 H new ATOM 0 HB3 MET A 108 -8.571 -3.412 9.327 1.00 0.00 H new ATOM 0 HG2 MET A 108 -10.552 -2.350 9.009 1.00 0.00 H new ATOM 0 HG3 MET A 108 -11.126 -3.515 10.185 1.00 0.00 H new ATOM 0 HE1 MET A 108 -13.308 -1.148 11.273 1.00 0.00 H new ATOM 0 HE2 MET A 108 -12.773 -2.845 11.210 1.00 0.00 H new ATOM 0 HE3 MET A 108 -12.620 -1.919 12.722 1.00 0.00 H new ATOM 1733 N MET A 109 -8.369 -6.408 10.140 1.00 0.00 N ATOM 1734 CA MET A 109 -8.662 -7.666 9.484 1.00 0.00 C ATOM 1735 C MET A 109 -9.502 -8.539 10.406 1.00 0.00 C ATOM 1736 O MET A 109 -10.416 -9.233 9.962 1.00 0.00 O ATOM 1737 CB MET A 109 -7.366 -8.398 9.120 1.00 0.00 C ATOM 1738 CG MET A 109 -6.539 -8.803 10.329 1.00 0.00 C ATOM 1739 SD MET A 109 -6.998 -10.421 10.977 1.00 0.00 S ATOM 1740 CE MET A 109 -6.406 -11.490 9.668 1.00 0.00 C ATOM 0 H MET A 109 -7.375 -6.211 10.259 1.00 0.00 H new ATOM 0 HA MET A 109 -9.216 -7.462 8.568 1.00 0.00 H new ATOM 0 HB2 MET A 109 -7.611 -9.289 8.542 1.00 0.00 H new ATOM 0 HB3 MET A 109 -6.764 -7.757 8.476 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.484 -8.812 10.056 1.00 0.00 H new ATOM 0 HG3 MET A 109 -6.659 -8.055 11.113 1.00 0.00 H new ATOM 0 HE1 MET A 109 -6.201 -12.481 10.072 1.00 0.00 H new ATOM 0 HE2 MET A 109 -7.164 -11.565 8.889 1.00 0.00 H new ATOM 0 HE3 MET A 109 -5.491 -11.075 9.245 1.00 0.00 H new ATOM 1750 N SER A 110 -9.183 -8.489 11.701 1.00 0.00 N ATOM 1751 CA SER A 110 -9.911 -9.270 12.693 1.00 0.00 C ATOM 1752 C SER A 110 -11.400 -8.932 12.663 1.00 0.00 C ATOM 1753 O SER A 110 -12.236 -9.721 13.103 1.00 0.00 O ATOM 1754 CB SER A 110 -9.344 -9.015 14.091 1.00 0.00 C ATOM 1755 OG SER A 110 -8.484 -10.067 14.493 1.00 0.00 O ATOM 0 H SER A 110 -8.429 -7.918 12.082 1.00 0.00 H new ATOM 0 HA SER A 110 -9.791 -10.326 12.449 1.00 0.00 H new ATOM 0 HB2 SER A 110 -8.798 -8.072 14.099 1.00 0.00 H new ATOM 0 HB3 SER A 110 -10.161 -8.916 14.806 1.00 0.00 H new ATOM 0 HG SER A 110 -8.134 -9.879 15.389 1.00 0.00 H new ATOM 1761 N VAL A 111 -11.724 -7.751 12.140 1.00 0.00 N ATOM 1762 CA VAL A 111 -13.108 -7.306 12.052 1.00 0.00 C ATOM 1763 C VAL A 111 -13.826 -7.964 10.875 1.00 0.00 C ATOM 1764 O VAL A 111 -14.985 -8.364 10.991 1.00 0.00 O ATOM 1765 CB VAL A 111 -13.190 -5.771 11.915 1.00 0.00 C ATOM 1766 CG1 VAL A 111 -14.635 -5.314 11.762 1.00 0.00 C ATOM 1767 CG2 VAL A 111 -12.537 -5.096 13.112 1.00 0.00 C ATOM 0 H VAL A 111 -11.044 -7.086 11.771 1.00 0.00 H new ATOM 0 HA VAL A 111 -13.602 -7.605 12.976 1.00 0.00 H new ATOM 0 HB VAL A 111 -12.649 -5.480 11.015 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -14.665 -4.229 11.667 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -15.068 -5.768 10.871 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -15.207 -5.618 12.638 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -12.603 -4.014 13.000 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -13.050 -5.399 14.025 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -11.489 -5.391 13.170 1.00 0.00 H new ATOM 1777 N HIS A 112 -13.134 -8.079 9.744 1.00 0.00 N ATOM 1778 CA HIS A 112 -13.719 -8.693 8.556 1.00 0.00 C ATOM 1779 C HIS A 112 -13.785 -10.210 8.708 1.00 0.00 C ATOM 1780 O HIS A 112 -14.669 -10.862 8.155 1.00 0.00 O ATOM 1781 CB HIS A 112 -12.918 -8.314 7.303 1.00 0.00 C ATOM 1782 CG HIS A 112 -11.648 -9.087 7.127 1.00 0.00 C ATOM 1783 ND1 HIS A 112 -10.407 -8.508 7.205 1.00 0.00 N ATOM 1784 CD2 HIS A 112 -11.430 -10.401 6.890 1.00 0.00 C ATOM 1785 CE1 HIS A 112 -9.478 -9.429 7.030 1.00 0.00 C ATOM 1786 NE2 HIS A 112 -10.073 -10.588 6.838 1.00 0.00 N ATOM 0 H HIS A 112 -12.173 -7.757 9.626 1.00 0.00 H new ATOM 0 HA HIS A 112 -14.735 -8.316 8.444 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -13.546 -8.465 6.425 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.680 -7.251 7.346 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -12.186 -11.162 6.765 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -8.411 -9.261 7.042 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -9.602 -11.478 6.677 1.00 0.00 H new ATOM 1795 N ARG A 113 -12.842 -10.764 9.464 1.00 0.00 N ATOM 1796 CA ARG A 113 -12.793 -12.203 9.693 1.00 0.00 C ATOM 1797 C ARG A 113 -13.823 -12.623 10.736 1.00 0.00 C ATOM 1798 O ARG A 113 -14.330 -13.744 10.705 1.00 0.00 O ATOM 1799 CB ARG A 113 -11.392 -12.620 10.146 1.00 0.00 C ATOM 1800 CG ARG A 113 -11.003 -14.021 9.704 1.00 0.00 C ATOM 1801 CD ARG A 113 -10.138 -14.713 10.745 1.00 0.00 C ATOM 1802 NE ARG A 113 -10.924 -15.576 11.625 1.00 0.00 N ATOM 1803 CZ ARG A 113 -10.392 -16.448 12.477 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -9.075 -16.578 12.569 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -11.180 -17.193 13.241 1.00 0.00 N ATOM 0 H ARG A 113 -12.102 -10.238 9.928 1.00 0.00 H new ATOM 0 HA ARG A 113 -13.029 -12.704 8.754 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -10.665 -11.909 9.753 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -11.338 -12.563 11.233 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -11.902 -14.611 9.526 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -10.464 -13.969 8.758 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -9.373 -15.306 10.244 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -9.619 -13.963 11.342 1.00 0.00 H new ATOM 0 HE ARG A 113 -11.941 -15.505 11.583 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -8.464 -16.007 11.984 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -8.673 -17.248 13.224 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -12.193 -17.097 13.175 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -10.773 -17.862 13.894 1.00 0.00 H new