USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 836 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 106 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 109 MET CE :methyl -167:sc= -2.5! (180deg=-3.81!) USER MOD Set 1.3: A 110 SER OG : rot 180:sc= -0.286 USER MOD Set 2.1: A 20 THR OG1 : rot -61:sc= -1.91! USER MOD Set 2.2: A 108 MET CE :methyl -137:sc= -0.231 (180deg=-0.997) USER MOD Set 3.1: A 96 THR OG1 : rot 80:sc= 1.01 USER MOD Set 3.2: A 97 ASN :FLIP amide:sc= 0.95 F(o=0.63,f=2) USER MOD Set 4.1: A 51 MET CE :methyl -148:sc= -3.61 (180deg=-4.9!) USER MOD Set 4.2: A 72 MET CE :methyl 176:sc= -2.88! (180deg=-3.18!) USER MOD Set 5.1: A 65 LYS NZ :NH3+ -174:sc= -0.607 (180deg=-0.767) USER MOD Set 5.2: A 68 SER OG : rot 177:sc= 0 USER MOD Set 6.1: A 31 LYS NZ :NH3+ 147:sc= 0 (180deg=0) USER MOD Set 6.2: A 34 GLN : amide:sc= -1.92 X(o=-1.9,f=-1.5) USER MOD Set 7.1: A 27 SER OG : rot -90:sc= -1.55 USER MOD Set 7.2: A 112 HIS : no HD1:sc= -7.01! C(o=-8.6!,f=-11!) USER MOD Single : A 12 TYR OH : rot 180:sc= -0.106 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 155:sc= -0.751! USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.229 X(o=-0.23,f=-0.011) USER MOD Single : A 30 ASN : amide:sc= -0.252 K(o=-0.25,f=-1.8) 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= -8.75! C(o=-8.8!,f=-18!) 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+ 179:sc= 0 (180deg=-0.000889) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -12:sc= -2.66! 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 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -80:sc= -1.75! USER MOD Single : A 83 SER OG : rot -49:sc= 1.19 USER MOD Single : A 84 ASN : amide:sc= -0.0364 K(o=-0.036,f=-1.6!) USER MOD Single : A 87 ASN : amide:sc= -1.65 K(o=-1.6,f=-4.8!) USER MOD Single : A 92 ASN : amide:sc= -1.73 K(o=-1.7,f=-2.6!) USER MOD Single : A 98 THR OG1 : rot -130:sc= -2.42! USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 193 N TYR A 12 -2.079 3.853 14.953 1.00 0.00 N ATOM 194 CA TYR A 12 -2.556 5.175 15.338 1.00 0.00 C ATOM 195 C TYR A 12 -4.042 5.330 15.029 1.00 0.00 C ATOM 196 O TYR A 12 -4.868 5.424 15.937 1.00 0.00 O ATOM 197 CB TYR A 12 -1.744 6.250 14.597 1.00 0.00 C ATOM 198 CG TYR A 12 -0.371 5.772 14.160 1.00 0.00 C ATOM 199 CD1 TYR A 12 -0.234 4.681 13.306 1.00 0.00 C ATOM 200 CD2 TYR A 12 0.785 6.387 14.622 1.00 0.00 C ATOM 201 CE1 TYR A 12 1.007 4.218 12.929 1.00 0.00 C ATOM 202 CE2 TYR A 12 2.035 5.934 14.242 1.00 0.00 C ATOM 203 CZ TYR A 12 2.141 4.848 13.396 1.00 0.00 C ATOM 204 OH TYR A 12 3.383 4.390 13.022 1.00 0.00 O ATOM 0 HA TYR A 12 -2.422 5.296 16.413 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -2.303 6.577 13.720 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.629 7.119 15.245 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -1.119 4.188 12.932 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.707 7.233 15.289 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.091 3.366 12.271 1.00 0.00 H new ATOM 0 HE2 TYR A 12 2.924 6.427 14.605 1.00 0.00 H new ATOM 0 HH TYR A 12 4.075 4.945 13.438 1.00 0.00 H new ATOM 214 N GLY A 13 -4.374 5.356 13.742 1.00 0.00 N ATOM 215 CA GLY A 13 -5.761 5.499 13.339 1.00 0.00 C ATOM 216 C GLY A 13 -5.906 6.048 11.934 1.00 0.00 C ATOM 217 O GLY A 13 -6.399 5.359 11.040 1.00 0.00 O ATOM 0 H GLY A 13 -3.709 5.281 12.972 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -6.255 4.529 13.399 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -6.272 6.161 14.038 1.00 0.00 H new ATOM 221 N ILE A 14 -5.479 7.291 11.737 1.00 0.00 N ATOM 222 CA ILE A 14 -5.569 7.929 10.430 1.00 0.00 C ATOM 223 C ILE A 14 -4.809 7.130 9.376 1.00 0.00 C ATOM 224 O ILE A 14 -5.320 6.885 8.283 1.00 0.00 O ATOM 225 CB ILE A 14 -5.033 9.378 10.471 1.00 0.00 C ATOM 226 CG1 ILE A 14 -5.382 10.120 9.174 1.00 0.00 C ATOM 227 CG2 ILE A 14 -3.530 9.393 10.722 1.00 0.00 C ATOM 228 CD1 ILE A 14 -4.547 9.709 7.978 1.00 0.00 C ATOM 0 H ILE A 14 -5.068 7.875 12.465 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.624 7.957 10.159 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.515 9.898 11.299 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.434 9.951 8.944 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.260 11.191 9.337 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.176 10.423 10.747 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.316 8.913 11.677 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.022 8.854 9.922 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.858 10.281 7.104 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.495 9.905 8.184 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.687 8.645 7.785 1.00 0.00 H new ATOM 240 N GLU A 15 -3.592 6.717 9.713 1.00 0.00 N ATOM 241 CA GLU A 15 -2.775 5.938 8.792 1.00 0.00 C ATOM 242 C GLU A 15 -3.323 4.523 8.666 1.00 0.00 C ATOM 243 O GLU A 15 -3.282 3.923 7.592 1.00 0.00 O ATOM 244 CB GLU A 15 -1.319 5.905 9.265 1.00 0.00 C ATOM 245 CG GLU A 15 -0.400 6.805 8.456 1.00 0.00 C ATOM 246 CD GLU A 15 0.554 7.599 9.327 1.00 0.00 C ATOM 247 OE1 GLU A 15 0.184 8.715 9.749 1.00 0.00 O ATOM 248 OE2 GLU A 15 1.671 7.105 9.587 1.00 0.00 O ATOM 0 H GLU A 15 -3.152 6.908 10.613 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.809 6.413 7.812 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.278 6.204 10.312 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.951 4.880 9.212 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.173 6.197 7.756 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.002 7.493 7.862 1.00 0.00 H new ATOM 255 N GLY A 16 -3.851 4.001 9.768 1.00 0.00 N ATOM 256 CA GLY A 16 -4.417 2.667 9.753 1.00 0.00 C ATOM 257 C GLY A 16 -5.741 2.627 9.020 1.00 0.00 C ATOM 258 O GLY A 16 -6.130 1.590 8.482 1.00 0.00 O ATOM 0 H GLY A 16 -3.897 4.477 10.669 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.717 1.980 9.277 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.558 2.320 10.777 1.00 0.00 H new ATOM 262 N ARG A 17 -6.431 3.764 8.991 1.00 0.00 N ATOM 263 CA ARG A 17 -7.715 3.860 8.310 1.00 0.00 C ATOM 264 C ARG A 17 -7.527 3.822 6.799 1.00 0.00 C ATOM 265 O ARG A 17 -8.434 3.438 6.065 1.00 0.00 O ATOM 266 CB ARG A 17 -8.441 5.144 8.717 1.00 0.00 C ATOM 267 CG ARG A 17 -9.940 5.099 8.471 1.00 0.00 C ATOM 268 CD ARG A 17 -10.629 6.345 9.002 1.00 0.00 C ATOM 269 NE ARG A 17 -11.944 6.046 9.563 1.00 0.00 N ATOM 270 CZ ARG A 17 -12.815 6.976 9.949 1.00 0.00 C ATOM 271 NH1 ARG A 17 -12.513 8.264 9.837 1.00 0.00 N ATOM 272 NH2 ARG A 17 -13.989 6.618 10.449 1.00 0.00 N ATOM 0 H ARG A 17 -6.121 4.630 9.431 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.322 3.004 8.606 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.260 5.334 9.775 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.016 5.982 8.165 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.132 5.003 7.402 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.362 4.216 8.951 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.005 6.806 9.767 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.735 7.072 8.197 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.211 5.067 9.665 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.610 8.545 9.454 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.184 8.973 10.134 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.225 5.630 10.538 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -14.656 7.331 10.745 1.00 0.00 H new ATOM 286 N TYR A 18 -6.341 4.213 6.335 1.00 0.00 N ATOM 287 CA TYR A 18 -6.046 4.206 4.907 1.00 0.00 C ATOM 288 C TYR A 18 -6.279 2.819 4.327 1.00 0.00 C ATOM 289 O TYR A 18 -6.963 2.661 3.316 1.00 0.00 O ATOM 290 CB TYR A 18 -4.597 4.636 4.660 1.00 0.00 C ATOM 291 CG TYR A 18 -4.456 6.049 4.144 1.00 0.00 C ATOM 292 CD1 TYR A 18 -5.016 7.118 4.830 1.00 0.00 C ATOM 293 CD2 TYR A 18 -3.757 6.313 2.972 1.00 0.00 C ATOM 294 CE1 TYR A 18 -4.887 8.411 4.363 1.00 0.00 C ATOM 295 CE2 TYR A 18 -3.624 7.605 2.498 1.00 0.00 C ATOM 296 CZ TYR A 18 -4.190 8.650 3.197 1.00 0.00 C ATOM 297 OH TYR A 18 -4.059 9.937 2.729 1.00 0.00 O ATOM 0 H TYR A 18 -5.574 4.536 6.925 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.713 4.913 4.414 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.037 4.542 5.590 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.142 3.951 3.944 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.562 6.935 5.744 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.311 5.497 2.423 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.330 9.231 4.908 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.079 7.795 1.585 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.539 9.932 1.898 1.00 0.00 H new ATOM 307 N ALA A 19 -5.709 1.817 4.982 1.00 0.00 N ATOM 308 CA ALA A 19 -5.858 0.440 4.544 1.00 0.00 C ATOM 309 C ALA A 19 -7.290 -0.033 4.742 1.00 0.00 C ATOM 310 O ALA A 19 -7.855 -0.709 3.885 1.00 0.00 O ATOM 311 CB ALA A 19 -4.890 -0.460 5.298 1.00 0.00 C ATOM 0 H ALA A 19 -5.139 1.934 5.820 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.625 0.388 3.480 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.012 -1.489 4.960 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.867 -0.134 5.108 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.096 -0.402 6.367 1.00 0.00 H new ATOM 317 N THR A 20 -7.876 0.331 5.877 1.00 0.00 N ATOM 318 CA THR A 20 -9.244 -0.058 6.180 1.00 0.00 C ATOM 319 C THR A 20 -10.236 0.680 5.291 1.00 0.00 C ATOM 320 O THR A 20 -11.353 0.211 5.077 1.00 0.00 O ATOM 321 CB THR A 20 -9.564 0.183 7.656 1.00 0.00 C ATOM 322 OG1 THR A 20 -8.503 0.869 8.297 1.00 0.00 O ATOM 323 CG2 THR A 20 -9.806 -1.101 8.416 1.00 0.00 C ATOM 0 H THR A 20 -7.425 0.893 6.599 1.00 0.00 H new ATOM 0 HA THR A 20 -9.338 -1.125 5.977 1.00 0.00 H new ATOM 0 HB THR A 20 -10.476 0.780 7.667 1.00 0.00 H new ATOM 0 HG1 THR A 20 -7.686 0.331 8.244 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.029 -0.871 9.458 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.649 -1.632 7.974 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.915 -1.727 8.365 1.00 0.00 H new ATOM 331 N ALA A 21 -9.825 1.826 4.758 1.00 0.00 N ATOM 332 CA ALA A 21 -10.694 2.595 3.882 1.00 0.00 C ATOM 333 C ALA A 21 -10.468 2.217 2.424 1.00 0.00 C ATOM 334 O ALA A 21 -11.137 2.732 1.528 1.00 0.00 O ATOM 335 CB ALA A 21 -10.487 4.087 4.092 1.00 0.00 C ATOM 0 H ALA A 21 -8.905 2.237 4.916 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.727 2.356 4.136 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.147 4.643 3.426 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.715 4.344 5.127 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.451 4.345 3.874 1.00 0.00 H new ATOM 341 N LEU A 22 -9.545 1.290 2.196 1.00 0.00 N ATOM 342 CA LEU A 22 -9.259 0.815 0.851 1.00 0.00 C ATOM 343 C LEU A 22 -9.613 -0.649 0.771 1.00 0.00 C ATOM 344 O LEU A 22 -10.203 -1.111 -0.206 1.00 0.00 O ATOM 345 CB LEU A 22 -7.791 1.031 0.486 1.00 0.00 C ATOM 346 CG LEU A 22 -7.422 0.621 -0.942 1.00 0.00 C ATOM 347 CD1 LEU A 22 -6.786 1.784 -1.688 1.00 0.00 C ATOM 348 CD2 LEU A 22 -6.492 -0.584 -0.928 1.00 0.00 C ATOM 0 H LEU A 22 -8.983 0.853 2.926 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.856 1.382 0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.548 2.085 0.622 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.170 0.468 1.183 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.336 0.342 -1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.531 1.471 -2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.488 2.616 -1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.882 2.099 -1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.240 -0.861 -1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.580 -0.334 -0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.988 -1.421 -0.437 1.00 0.00 H new ATOM 360 N TYR A 23 -9.287 -1.370 1.832 1.00 0.00 N ATOM 361 CA TYR A 23 -9.608 -2.767 1.908 1.00 0.00 C ATOM 362 C TYR A 23 -11.085 -2.919 2.268 1.00 0.00 C ATOM 363 O TYR A 23 -11.675 -3.970 2.040 1.00 0.00 O ATOM 364 CB TYR A 23 -8.694 -3.472 2.922 1.00 0.00 C ATOM 365 CG TYR A 23 -9.409 -4.027 4.130 1.00 0.00 C ATOM 366 CD1 TYR A 23 -10.263 -5.110 4.006 1.00 0.00 C ATOM 367 CD2 TYR A 23 -9.240 -3.463 5.386 1.00 0.00 C ATOM 368 CE1 TYR A 23 -10.929 -5.624 5.096 1.00 0.00 C ATOM 369 CE2 TYR A 23 -9.904 -3.965 6.483 1.00 0.00 C ATOM 370 CZ TYR A 23 -10.746 -5.048 6.337 1.00 0.00 C ATOM 371 OH TYR A 23 -11.411 -5.547 7.431 1.00 0.00 O ATOM 0 H TYR A 23 -8.800 -1.001 2.648 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.438 -3.243 0.942 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.173 -4.286 2.418 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.933 -2.767 3.258 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -10.410 -5.560 3.035 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.578 -2.618 5.505 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.589 -6.471 4.981 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.766 -3.513 7.454 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.913 -5.325 8.246 1.00 0.00 H new ATOM 381 N SER A 24 -11.694 -1.850 2.812 1.00 0.00 N ATOM 382 CA SER A 24 -13.111 -1.890 3.163 1.00 0.00 C ATOM 383 C SER A 24 -13.905 -2.443 1.989 1.00 0.00 C ATOM 384 O SER A 24 -14.762 -3.311 2.152 1.00 0.00 O ATOM 385 CB SER A 24 -13.614 -0.494 3.541 1.00 0.00 C ATOM 386 OG SER A 24 -15.000 -0.357 3.278 1.00 0.00 O ATOM 0 H SER A 24 -11.230 -0.964 3.013 1.00 0.00 H new ATOM 0 HA SER A 24 -13.246 -2.540 4.027 1.00 0.00 H new ATOM 0 HB2 SER A 24 -13.422 -0.310 4.598 1.00 0.00 H new ATOM 0 HB3 SER A 24 -13.059 0.259 2.981 1.00 0.00 H new ATOM 0 HG SER A 24 -15.293 0.543 3.530 1.00 0.00 H new ATOM 392 N ALA A 25 -13.572 -1.962 0.795 1.00 0.00 N ATOM 393 CA ALA A 25 -14.211 -2.437 -0.418 1.00 0.00 C ATOM 394 C ALA A 25 -13.696 -3.832 -0.727 1.00 0.00 C ATOM 395 O ALA A 25 -14.433 -4.694 -1.207 1.00 0.00 O ATOM 396 CB ALA A 25 -13.937 -1.490 -1.578 1.00 0.00 C ATOM 0 H ALA A 25 -12.863 -1.244 0.646 1.00 0.00 H new ATOM 0 HA ALA A 25 -15.291 -2.472 -0.272 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.425 -1.865 -2.477 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -14.327 -0.500 -1.340 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.862 -1.425 -1.749 1.00 0.00 H new ATOM 402 N ALA A 26 -12.419 -4.046 -0.420 1.00 0.00 N ATOM 403 CA ALA A 26 -11.784 -5.339 -0.633 1.00 0.00 C ATOM 404 C ALA A 26 -12.472 -6.422 0.191 1.00 0.00 C ATOM 405 O ALA A 26 -12.697 -7.529 -0.292 1.00 0.00 O ATOM 406 CB ALA A 26 -10.309 -5.266 -0.270 1.00 0.00 C ATOM 0 H ALA A 26 -11.804 -3.337 -0.022 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.878 -5.596 -1.688 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.845 -6.239 -0.434 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.817 -4.520 -0.894 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.206 -4.987 0.779 1.00 0.00 H new ATOM 412 N SER A 27 -12.806 -6.092 1.437 1.00 0.00 N ATOM 413 CA SER A 27 -13.471 -7.032 2.332 1.00 0.00 C ATOM 414 C SER A 27 -14.764 -7.544 1.709 1.00 0.00 C ATOM 415 O SER A 27 -15.038 -8.744 1.719 1.00 0.00 O ATOM 416 CB SER A 27 -13.772 -6.364 3.675 1.00 0.00 C ATOM 417 OG SER A 27 -13.654 -7.289 4.742 1.00 0.00 O ATOM 0 H SER A 27 -12.625 -5.177 1.849 1.00 0.00 H new ATOM 0 HA SER A 27 -12.803 -7.877 2.496 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.086 -5.532 3.833 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.779 -5.948 3.660 1.00 0.00 H new ATOM 0 HG SER A 27 -14.520 -7.720 4.898 1.00 0.00 H new ATOM 423 N LYS A 28 -15.553 -6.624 1.158 1.00 0.00 N ATOM 424 CA LYS A 28 -16.815 -6.983 0.519 1.00 0.00 C ATOM 425 C LYS A 28 -16.597 -8.088 -0.507 1.00 0.00 C ATOM 426 O LYS A 28 -17.474 -8.919 -0.739 1.00 0.00 O ATOM 427 CB LYS A 28 -17.438 -5.758 -0.154 1.00 0.00 C ATOM 428 CG LYS A 28 -18.330 -4.945 0.769 1.00 0.00 C ATOM 429 CD LYS A 28 -18.677 -3.595 0.163 1.00 0.00 C ATOM 430 CE LYS A 28 -19.931 -3.008 0.790 1.00 0.00 C ATOM 431 NZ LYS A 28 -20.189 -1.619 0.318 1.00 0.00 N ATOM 0 H LYS A 28 -15.340 -5.627 1.142 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.498 -7.348 1.286 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.642 -5.118 -0.533 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -18.021 -6.084 -1.015 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -19.246 -5.500 0.973 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -17.828 -4.797 1.725 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.843 -2.907 0.303 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.823 -3.704 -0.912 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -20.787 -3.638 0.549 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -19.829 -3.010 1.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -21.052 -1.254 0.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -19.384 -1.011 0.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -20.311 -1.620 -0.715 1.00 0.00 H new ATOM 445 N GLN A 29 -15.412 -8.094 -1.110 1.00 0.00 N ATOM 446 CA GLN A 29 -15.065 -9.100 -2.103 1.00 0.00 C ATOM 447 C GLN A 29 -14.334 -10.265 -1.445 1.00 0.00 C ATOM 448 O GLN A 29 -14.593 -11.425 -1.764 1.00 0.00 O ATOM 449 CB GLN A 29 -14.194 -8.487 -3.201 1.00 0.00 C ATOM 450 CG GLN A 29 -14.460 -9.064 -4.582 1.00 0.00 C ATOM 451 CD GLN A 29 -13.867 -8.218 -5.691 1.00 0.00 C ATOM 452 OE1 GLN A 29 -13.100 -8.709 -6.519 1.00 0.00 O ATOM 453 NE2 GLN A 29 -14.220 -6.938 -5.713 1.00 0.00 N ATOM 0 H GLN A 29 -14.676 -7.412 -0.927 1.00 0.00 H new ATOM 0 HA GLN A 29 -15.985 -9.472 -2.553 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.362 -7.410 -3.228 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.145 -8.640 -2.949 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.046 -10.071 -4.637 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.536 -9.153 -4.734 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.859 -6.573 -5.007 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.852 -6.320 -6.436 1.00 0.00 H new ATOM 462 N ASN A 30 -13.411 -9.934 -0.532 1.00 0.00 N ATOM 463 CA ASN A 30 -12.608 -10.924 0.192 1.00 0.00 C ATOM 464 C ASN A 30 -11.191 -10.930 -0.352 1.00 0.00 C ATOM 465 O ASN A 30 -10.519 -11.961 -0.367 1.00 0.00 O ATOM 466 CB ASN A 30 -13.208 -12.333 0.108 1.00 0.00 C ATOM 467 CG ASN A 30 -12.615 -13.276 1.136 1.00 0.00 C ATOM 468 OD1 ASN A 30 -11.862 -12.859 2.017 1.00 0.00 O ATOM 469 ND2 ASN A 30 -12.951 -14.556 1.029 1.00 0.00 N ATOM 0 H ASN A 30 -13.201 -8.969 -0.275 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.602 -10.637 1.244 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.287 -12.275 0.252 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.041 -12.737 -0.891 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.582 -15.237 1.692 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.578 -14.858 0.283 1.00 0.00 H new ATOM 476 N LYS A 31 -10.746 -9.763 -0.802 1.00 0.00 N ATOM 477 CA LYS A 31 -9.413 -9.617 -1.355 1.00 0.00 C ATOM 478 C LYS A 31 -8.388 -9.331 -0.262 1.00 0.00 C ATOM 479 O LYS A 31 -7.223 -9.081 -0.558 1.00 0.00 O ATOM 480 CB LYS A 31 -9.395 -8.508 -2.405 1.00 0.00 C ATOM 481 CG LYS A 31 -9.942 -8.947 -3.754 1.00 0.00 C ATOM 482 CD LYS A 31 -8.878 -9.639 -4.589 1.00 0.00 C ATOM 483 CE LYS A 31 -9.494 -10.433 -5.729 1.00 0.00 C ATOM 484 NZ LYS A 31 -8.517 -10.683 -6.825 1.00 0.00 N ATOM 0 H LYS A 31 -11.294 -8.903 -0.793 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.140 -10.559 -1.830 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.980 -7.663 -2.041 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.372 -8.155 -2.533 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.784 -9.623 -3.604 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.322 -8.079 -4.293 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.190 -8.896 -4.992 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.293 -10.305 -3.955 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.865 -11.385 -5.349 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.353 -9.892 -6.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.717 -11.604 -7.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.598 -9.932 -7.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.553 -10.688 -6.436 1.00 0.00 H new ATOM 498 N LEU A 32 -8.818 -9.381 1.005 1.00 0.00 N ATOM 499 CA LEU A 32 -7.920 -9.145 2.130 1.00 0.00 C ATOM 500 C LEU A 32 -6.586 -9.848 1.910 1.00 0.00 C ATOM 501 O LEU A 32 -5.541 -9.369 2.339 1.00 0.00 O ATOM 502 CB LEU A 32 -8.576 -9.645 3.418 1.00 0.00 C ATOM 503 CG LEU A 32 -9.599 -8.689 4.036 1.00 0.00 C ATOM 504 CD1 LEU A 32 -8.900 -7.720 4.974 1.00 0.00 C ATOM 505 CD2 LEU A 32 -10.363 -7.938 2.952 1.00 0.00 C ATOM 0 H LEU A 32 -9.782 -9.583 1.271 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.730 -8.075 2.213 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.068 -10.596 3.212 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.795 -9.842 4.153 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.321 -9.271 4.609 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.634 -7.043 5.410 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.403 -8.277 5.768 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.161 -7.144 4.417 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.084 -7.265 3.415 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.664 -7.360 2.348 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.888 -8.651 2.317 1.00 0.00 H new ATOM 517 N GLU A 33 -6.633 -10.980 1.218 1.00 0.00 N ATOM 518 CA GLU A 33 -5.426 -11.742 0.919 1.00 0.00 C ATOM 519 C GLU A 33 -4.610 -11.040 -0.163 1.00 0.00 C ATOM 520 O GLU A 33 -3.381 -11.034 -0.125 1.00 0.00 O ATOM 521 CB GLU A 33 -5.787 -13.159 0.468 1.00 0.00 C ATOM 522 CG GLU A 33 -5.944 -14.142 1.616 1.00 0.00 C ATOM 523 CD GLU A 33 -5.603 -15.564 1.217 1.00 0.00 C ATOM 524 OE1 GLU A 33 -4.407 -15.922 1.259 1.00 0.00 O ATOM 525 OE2 GLU A 33 -6.532 -16.320 0.862 1.00 0.00 O ATOM 0 H GLU A 33 -7.493 -11.390 0.854 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.825 -11.806 1.826 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.717 -13.125 -0.099 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.014 -13.524 -0.208 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.301 -13.836 2.442 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.970 -14.107 1.981 1.00 0.00 H new ATOM 532 N GLN A 34 -5.309 -10.442 -1.122 1.00 0.00 N ATOM 533 CA GLN A 34 -4.665 -9.724 -2.217 1.00 0.00 C ATOM 534 C GLN A 34 -4.324 -8.289 -1.816 1.00 0.00 C ATOM 535 O GLN A 34 -3.592 -7.598 -2.524 1.00 0.00 O ATOM 536 CB GLN A 34 -5.572 -9.716 -3.449 1.00 0.00 C ATOM 537 CG GLN A 34 -5.363 -10.911 -4.366 1.00 0.00 C ATOM 538 CD GLN A 34 -4.793 -10.519 -5.716 1.00 0.00 C ATOM 539 OE1 GLN A 34 -5.212 -11.035 -6.752 1.00 0.00 O ATOM 540 NE2 GLN A 34 -3.832 -9.603 -5.709 1.00 0.00 N ATOM 0 H GLN A 34 -6.328 -10.441 -1.163 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.736 -10.242 -2.455 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.612 -9.695 -3.124 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.396 -8.800 -4.013 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.690 -11.621 -3.884 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.314 -11.423 -4.512 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.516 -9.202 -4.826 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.410 -9.300 -6.587 1.00 0.00 H new ATOM 549 N VAL A 35 -4.857 -7.842 -0.681 1.00 0.00 N ATOM 550 CA VAL A 35 -4.601 -6.487 -0.203 1.00 0.00 C ATOM 551 C VAL A 35 -3.720 -6.499 1.044 1.00 0.00 C ATOM 552 O VAL A 35 -3.022 -5.526 1.332 1.00 0.00 O ATOM 553 CB VAL A 35 -5.910 -5.724 0.125 1.00 0.00 C ATOM 554 CG1 VAL A 35 -5.788 -4.265 -0.280 1.00 0.00 C ATOM 555 CG2 VAL A 35 -7.131 -6.370 -0.536 1.00 0.00 C ATOM 0 H VAL A 35 -5.466 -8.396 -0.078 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.088 -5.972 -1.015 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.061 -5.779 1.203 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.715 -3.743 -0.043 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.963 -3.804 0.264 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.598 -4.199 -1.351 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.026 -5.803 -0.280 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.000 -6.372 -1.618 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.237 -7.395 -0.181 1.00 0.00 H new ATOM 565 N GLU A 36 -3.752 -7.605 1.776 1.00 0.00 N ATOM 566 CA GLU A 36 -2.950 -7.745 2.987 1.00 0.00 C ATOM 567 C GLU A 36 -1.589 -8.319 2.639 1.00 0.00 C ATOM 568 O GLU A 36 -0.570 -7.922 3.202 1.00 0.00 O ATOM 569 CB GLU A 36 -3.648 -8.645 4.008 1.00 0.00 C ATOM 570 CG GLU A 36 -3.001 -8.621 5.383 1.00 0.00 C ATOM 571 CD GLU A 36 -3.343 -9.845 6.209 1.00 0.00 C ATOM 572 OE1 GLU A 36 -3.744 -10.868 5.616 1.00 0.00 O ATOM 573 OE2 GLU A 36 -3.210 -9.780 7.450 1.00 0.00 O ATOM 0 H GLU A 36 -4.325 -8.419 1.553 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.826 -6.757 3.431 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.689 -8.336 4.100 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.651 -9.669 3.635 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.919 -8.554 5.270 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.322 -7.726 5.916 1.00 0.00 H new ATOM 580 N LYS A 37 -1.580 -9.240 1.684 1.00 0.00 N ATOM 581 CA LYS A 37 -0.342 -9.848 1.238 1.00 0.00 C ATOM 582 C LYS A 37 0.409 -8.855 0.375 1.00 0.00 C ATOM 583 O LYS A 37 1.638 -8.789 0.410 1.00 0.00 O ATOM 584 CB LYS A 37 -0.611 -11.137 0.459 1.00 0.00 C ATOM 585 CG LYS A 37 -1.345 -12.194 1.267 1.00 0.00 C ATOM 586 CD LYS A 37 -0.403 -12.936 2.201 1.00 0.00 C ATOM 587 CE LYS A 37 -0.744 -14.415 2.276 1.00 0.00 C ATOM 588 NZ LYS A 37 0.422 -15.233 2.711 1.00 0.00 N ATOM 0 H LYS A 37 -2.416 -9.579 1.207 1.00 0.00 H new ATOM 0 HA LYS A 37 0.260 -10.110 2.108 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.196 -10.899 -0.429 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.338 -11.549 0.115 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.139 -11.723 1.848 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.822 -12.904 0.591 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.624 -12.815 1.855 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.457 -12.498 3.198 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.570 -14.562 2.972 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.084 -14.759 1.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.148 -16.235 2.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.202 -15.113 2.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.731 -14.922 3.654 1.00 0.00 H new ATOM 602 N GLU A 38 -0.341 -8.058 -0.381 1.00 0.00 N ATOM 603 CA GLU A 38 0.260 -7.050 -1.220 1.00 0.00 C ATOM 604 C GLU A 38 0.869 -5.960 -0.348 1.00 0.00 C ATOM 605 O GLU A 38 2.037 -5.609 -0.501 1.00 0.00 O ATOM 606 CB GLU A 38 -0.792 -6.466 -2.156 1.00 0.00 C ATOM 607 CG GLU A 38 -0.934 -7.229 -3.463 1.00 0.00 C ATOM 608 CD GLU A 38 -1.159 -8.715 -3.253 1.00 0.00 C ATOM 609 OE1 GLU A 38 -0.311 -9.357 -2.598 1.00 0.00 O ATOM 610 OE2 GLU A 38 -2.181 -9.236 -3.745 1.00 0.00 O ATOM 0 H GLU A 38 -1.359 -8.097 -0.424 1.00 0.00 H new ATOM 0 HA GLU A 38 1.050 -7.497 -1.824 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.755 -6.455 -1.645 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.536 -5.430 -2.376 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.768 -6.816 -4.031 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.036 -7.083 -4.063 1.00 0.00 H new ATOM 617 N LEU A 39 0.074 -5.441 0.584 1.00 0.00 N ATOM 618 CA LEU A 39 0.539 -4.400 1.495 1.00 0.00 C ATOM 619 C LEU A 39 1.889 -4.772 2.098 1.00 0.00 C ATOM 620 O LEU A 39 2.718 -3.903 2.370 1.00 0.00 O ATOM 621 CB LEU A 39 -0.488 -4.167 2.605 1.00 0.00 C ATOM 622 CG LEU A 39 -1.488 -3.042 2.336 1.00 0.00 C ATOM 623 CD1 LEU A 39 -2.414 -2.856 3.528 1.00 0.00 C ATOM 624 CD2 LEU A 39 -0.758 -1.746 2.018 1.00 0.00 C ATOM 0 H LEU A 39 -0.895 -5.725 0.728 1.00 0.00 H new ATOM 0 HA LEU A 39 0.659 -3.478 0.926 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.041 -5.092 2.768 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.044 -3.946 3.531 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.093 -3.317 1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.119 -2.051 3.319 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.962 -3.780 3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.826 -2.603 4.410 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.485 -0.956 1.829 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.129 -1.466 2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.136 -1.886 1.134 1.00 0.00 H new ATOM 636 N LEU A 40 2.110 -6.069 2.294 1.00 0.00 N ATOM 637 CA LEU A 40 3.370 -6.545 2.852 1.00 0.00 C ATOM 638 C LEU A 40 4.528 -6.183 1.930 1.00 0.00 C ATOM 639 O LEU A 40 5.653 -5.969 2.381 1.00 0.00 O ATOM 640 CB LEU A 40 3.322 -8.059 3.068 1.00 0.00 C ATOM 641 CG LEU A 40 4.312 -8.597 4.102 1.00 0.00 C ATOM 642 CD1 LEU A 40 3.761 -9.850 4.766 1.00 0.00 C ATOM 643 CD2 LEU A 40 5.657 -8.883 3.452 1.00 0.00 C ATOM 0 H LEU A 40 1.437 -6.804 2.076 1.00 0.00 H new ATOM 0 HA LEU A 40 3.525 -6.061 3.816 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.313 -8.335 3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.511 -8.553 2.115 1.00 0.00 H new ATOM 0 HG LEU A 40 4.456 -7.837 4.870 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.479 -10.219 5.499 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.821 -9.614 5.265 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.588 -10.616 4.010 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.350 -9.265 4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.530 -9.625 2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.057 -7.964 3.024 1.00 0.00 H new ATOM 655 N ARG A 41 4.239 -6.109 0.634 1.00 0.00 N ATOM 656 CA ARG A 41 5.248 -5.763 -0.357 1.00 0.00 C ATOM 657 C ARG A 41 5.742 -4.337 -0.142 1.00 0.00 C ATOM 658 O ARG A 41 6.945 -4.081 -0.128 1.00 0.00 O ATOM 659 CB ARG A 41 4.679 -5.916 -1.770 1.00 0.00 C ATOM 660 CG ARG A 41 5.569 -6.724 -2.699 1.00 0.00 C ATOM 661 CD ARG A 41 5.649 -8.179 -2.266 1.00 0.00 C ATOM 662 NE ARG A 41 6.978 -8.744 -2.488 1.00 0.00 N ATOM 663 CZ ARG A 41 7.290 -10.017 -2.257 1.00 0.00 C ATOM 664 NH1 ARG A 41 6.373 -10.860 -1.799 1.00 0.00 N ATOM 665 NH2 ARG A 41 8.523 -10.449 -2.485 1.00 0.00 N ATOM 0 H ARG A 41 3.312 -6.285 0.247 1.00 0.00 H new ATOM 0 HA ARG A 41 6.091 -6.444 -0.242 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.702 -6.395 -1.709 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.523 -4.926 -2.199 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.182 -6.667 -3.716 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.570 -6.292 -2.713 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.394 -8.257 -1.209 1.00 0.00 H new ATOM 0 HD3 ARG A 41 4.911 -8.762 -2.816 1.00 0.00 H new ATOM 0 HE ARG A 41 7.709 -8.127 -2.841 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.423 -10.533 -1.622 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.618 -11.834 -1.624 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.232 -9.806 -2.837 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.762 -11.425 -2.308 1.00 0.00 H new ATOM 679 N VAL A 42 4.802 -3.411 0.029 1.00 0.00 N ATOM 680 CA VAL A 42 5.137 -2.009 0.247 1.00 0.00 C ATOM 681 C VAL A 42 6.127 -1.854 1.398 1.00 0.00 C ATOM 682 O VAL A 42 6.929 -0.921 1.418 1.00 0.00 O ATOM 683 CB VAL A 42 3.877 -1.174 0.543 1.00 0.00 C ATOM 684 CG1 VAL A 42 4.217 0.307 0.621 1.00 0.00 C ATOM 685 CG2 VAL A 42 2.811 -1.427 -0.513 1.00 0.00 C ATOM 0 H VAL A 42 3.801 -3.608 0.021 1.00 0.00 H new ATOM 0 HA VAL A 42 5.597 -1.643 -0.671 1.00 0.00 H new ATOM 0 HB VAL A 42 3.482 -1.481 1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.312 0.877 0.831 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.943 0.472 1.417 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.640 0.634 -0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.928 -0.829 -0.289 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.197 -1.150 -1.494 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.543 -2.484 -0.514 1.00 0.00 H new ATOM 695 N GLY A 43 6.069 -2.778 2.353 1.00 0.00 N ATOM 696 CA GLY A 43 6.971 -2.725 3.487 1.00 0.00 C ATOM 697 C GLY A 43 8.394 -3.083 3.109 1.00 0.00 C ATOM 698 O GLY A 43 9.341 -2.410 3.517 1.00 0.00 O ATOM 0 H GLY A 43 5.415 -3.560 2.361 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.953 -1.723 3.916 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.620 -3.409 4.260 1.00 0.00 H new ATOM 702 N GLN A 44 8.546 -4.143 2.321 1.00 0.00 N ATOM 703 CA GLN A 44 9.863 -4.586 1.882 1.00 0.00 C ATOM 704 C GLN A 44 10.466 -3.590 0.897 1.00 0.00 C ATOM 705 O GLN A 44 11.684 -3.418 0.838 1.00 0.00 O ATOM 706 CB GLN A 44 9.771 -5.969 1.235 1.00 0.00 C ATOM 707 CG GLN A 44 11.120 -6.643 1.045 1.00 0.00 C ATOM 708 CD GLN A 44 11.395 -7.702 2.095 1.00 0.00 C ATOM 709 OE1 GLN A 44 12.027 -7.431 3.116 1.00 0.00 O ATOM 710 NE2 GLN A 44 10.921 -8.918 1.847 1.00 0.00 N ATOM 0 H GLN A 44 7.773 -4.711 1.974 1.00 0.00 H new ATOM 0 HA GLN A 44 10.511 -4.646 2.757 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.139 -6.608 1.851 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.281 -5.876 0.266 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.158 -7.099 0.056 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.907 -5.889 1.079 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.402 -9.098 0.987 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.076 -9.672 2.516 1.00 0.00 H new ATOM 719 N ILE A 45 9.603 -2.933 0.128 1.00 0.00 N ATOM 720 CA ILE A 45 10.046 -1.950 -0.852 1.00 0.00 C ATOM 721 C ILE A 45 10.693 -0.750 -0.169 1.00 0.00 C ATOM 722 O ILE A 45 11.608 -0.136 -0.715 1.00 0.00 O ATOM 723 CB ILE A 45 8.872 -1.467 -1.729 1.00 0.00 C ATOM 724 CG1 ILE A 45 8.221 -2.653 -2.443 1.00 0.00 C ATOM 725 CG2 ILE A 45 9.346 -0.435 -2.743 1.00 0.00 C ATOM 726 CD1 ILE A 45 6.765 -2.426 -2.787 1.00 0.00 C ATOM 0 H ILE A 45 8.592 -3.065 0.166 1.00 0.00 H new ATOM 0 HA ILE A 45 10.784 -2.440 -1.488 1.00 0.00 H new ATOM 0 HB ILE A 45 8.131 -0.997 -1.082 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.774 -2.864 -3.359 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.303 -3.537 -1.811 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.502 -0.108 -3.351 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.770 0.422 -2.219 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.106 -0.879 -3.386 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.369 -3.307 -3.291 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.199 -2.245 -1.873 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.677 -1.561 -3.445 1.00 0.00 H new ATOM 738 N LEU A 46 10.217 -0.420 1.026 1.00 0.00 N ATOM 739 CA LEU A 46 10.761 0.709 1.770 1.00 0.00 C ATOM 740 C LEU A 46 12.098 0.346 2.407 1.00 0.00 C ATOM 741 O LEU A 46 12.972 1.198 2.566 1.00 0.00 O ATOM 742 CB LEU A 46 9.770 1.174 2.838 1.00 0.00 C ATOM 743 CG LEU A 46 9.386 2.653 2.758 1.00 0.00 C ATOM 744 CD1 LEU A 46 8.980 3.028 1.338 1.00 0.00 C ATOM 745 CD2 LEU A 46 8.264 2.962 3.738 1.00 0.00 C ATOM 0 H LEU A 46 9.460 -0.915 1.498 1.00 0.00 H new ATOM 0 HA LEU A 46 10.928 1.528 1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.864 0.573 2.759 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.198 0.977 3.821 1.00 0.00 H new ATOM 0 HG LEU A 46 10.256 3.251 3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.711 4.084 1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.814 2.844 0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.125 2.425 1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.002 4.018 3.670 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.392 2.355 3.496 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.594 2.735 4.752 1.00 0.00 H new ATOM 757 N LYS A 47 12.256 -0.925 2.755 1.00 0.00 N ATOM 758 CA LYS A 47 13.494 -1.400 3.357 1.00 0.00 C ATOM 759 C LYS A 47 14.596 -1.483 2.306 1.00 0.00 C ATOM 760 O LYS A 47 15.783 -1.495 2.632 1.00 0.00 O ATOM 761 CB LYS A 47 13.283 -2.769 4.005 1.00 0.00 C ATOM 762 CG LYS A 47 14.472 -3.247 4.822 1.00 0.00 C ATOM 763 CD LYS A 47 14.590 -4.762 4.801 1.00 0.00 C ATOM 764 CE LYS A 47 16.042 -5.207 4.736 1.00 0.00 C ATOM 765 NZ LYS A 47 16.183 -6.676 4.934 1.00 0.00 N ATOM 0 H LYS A 47 11.543 -1.644 2.631 1.00 0.00 H new ATOM 0 HA LYS A 47 13.796 -0.691 4.128 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.405 -2.725 4.649 1.00 0.00 H new ATOM 0 HB3 LYS A 47 13.071 -3.501 3.226 1.00 0.00 H new ATOM 0 HG2 LYS A 47 15.387 -2.804 4.428 1.00 0.00 H new ATOM 0 HG3 LYS A 47 14.369 -2.903 5.851 1.00 0.00 H new ATOM 0 HD2 LYS A 47 14.121 -5.177 5.693 1.00 0.00 H new ATOM 0 HD3 LYS A 47 14.048 -5.158 3.942 1.00 0.00 H new ATOM 0 HE2 LYS A 47 16.464 -4.929 3.770 1.00 0.00 H new ATOM 0 HE3 LYS A 47 16.617 -4.681 5.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 17.188 -6.938 4.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 15.804 -6.939 5.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 15.656 -7.179 4.192 1.00 0.00 H new ATOM 779 N GLU A 48 14.190 -1.538 1.039 1.00 0.00 N ATOM 780 CA GLU A 48 15.132 -1.618 -0.067 1.00 0.00 C ATOM 781 C GLU A 48 15.867 -0.290 -0.253 1.00 0.00 C ATOM 782 O GLU A 48 15.260 0.712 -0.632 1.00 0.00 O ATOM 783 CB GLU A 48 14.394 -1.986 -1.356 1.00 0.00 C ATOM 784 CG GLU A 48 14.328 -3.483 -1.612 1.00 0.00 C ATOM 785 CD GLU A 48 14.413 -3.826 -3.087 1.00 0.00 C ATOM 786 OE1 GLU A 48 13.516 -3.403 -3.847 1.00 0.00 O ATOM 787 OE2 GLU A 48 15.376 -4.516 -3.481 1.00 0.00 O ATOM 0 H GLU A 48 13.210 -1.528 0.756 1.00 0.00 H new ATOM 0 HA GLU A 48 15.866 -2.390 0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.380 -1.588 -1.311 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.889 -1.503 -2.199 1.00 0.00 H new ATOM 0 HG2 GLU A 48 15.143 -3.975 -1.081 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.397 -3.877 -1.204 1.00 0.00 H new ATOM 794 N PRO A 49 17.187 -0.260 0.008 1.00 0.00 N ATOM 795 CA PRO A 49 17.988 0.960 -0.140 1.00 0.00 C ATOM 796 C PRO A 49 17.829 1.590 -1.518 1.00 0.00 C ATOM 797 O PRO A 49 17.714 2.809 -1.645 1.00 0.00 O ATOM 798 CB PRO A 49 19.424 0.473 0.065 1.00 0.00 C ATOM 799 CG PRO A 49 19.292 -0.762 0.887 1.00 0.00 C ATOM 800 CD PRO A 49 18.000 -1.403 0.462 1.00 0.00 C ATOM 0 HA PRO A 49 17.685 1.735 0.564 1.00 0.00 H new ATOM 0 HB2 PRO A 49 19.911 0.264 -0.888 1.00 0.00 H new ATOM 0 HB3 PRO A 49 20.028 1.224 0.574 1.00 0.00 H new ATOM 0 HG2 PRO A 49 20.134 -1.434 0.721 1.00 0.00 H new ATOM 0 HG3 PRO A 49 19.279 -0.524 1.951 1.00 0.00 H new ATOM 0 HD2 PRO A 49 18.155 -2.129 -0.336 1.00 0.00 H new ATOM 0 HD3 PRO A 49 17.524 -1.933 1.287 1.00 0.00 H new ATOM 808 N LYS A 50 17.820 0.751 -2.549 1.00 0.00 N ATOM 809 CA LYS A 50 17.671 1.227 -3.919 1.00 0.00 C ATOM 810 C LYS A 50 16.286 1.827 -4.136 1.00 0.00 C ATOM 811 O LYS A 50 16.115 2.746 -4.937 1.00 0.00 O ATOM 812 CB LYS A 50 17.905 0.082 -4.907 1.00 0.00 C ATOM 813 CG LYS A 50 17.836 0.512 -6.363 1.00 0.00 C ATOM 814 CD LYS A 50 17.326 -0.611 -7.252 1.00 0.00 C ATOM 815 CE LYS A 50 17.933 -0.540 -8.643 1.00 0.00 C ATOM 816 NZ LYS A 50 17.824 -1.838 -9.364 1.00 0.00 N ATOM 0 H LYS A 50 17.914 -0.261 -2.462 1.00 0.00 H new ATOM 0 HA LYS A 50 18.416 2.004 -4.092 1.00 0.00 H new ATOM 0 HB2 LYS A 50 18.882 -0.360 -4.713 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.162 -0.696 -4.731 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.181 1.378 -6.457 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.825 0.823 -6.699 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.565 -1.573 -6.798 1.00 0.00 H new ATOM 0 HD3 LYS A 50 16.240 -0.554 -7.325 1.00 0.00 H new ATOM 0 HE2 LYS A 50 17.431 0.238 -9.219 1.00 0.00 H new ATOM 0 HE3 LYS A 50 18.982 -0.254 -8.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.250 -1.747 -10.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 18.324 -2.576 -8.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 16.822 -2.099 -9.460 1.00 0.00 H new ATOM 830 N MET A 51 15.301 1.301 -3.415 1.00 0.00 N ATOM 831 CA MET A 51 13.930 1.785 -3.526 1.00 0.00 C ATOM 832 C MET A 51 13.787 3.164 -2.892 1.00 0.00 C ATOM 833 O MET A 51 13.043 4.010 -3.386 1.00 0.00 O ATOM 834 CB MET A 51 12.964 0.804 -2.862 1.00 0.00 C ATOM 835 CG MET A 51 12.741 -0.474 -3.657 1.00 0.00 C ATOM 836 SD MET A 51 12.217 -0.166 -5.358 1.00 0.00 S ATOM 837 CE MET A 51 11.127 1.239 -5.141 1.00 0.00 C ATOM 0 H MET A 51 15.427 0.540 -2.748 1.00 0.00 H new ATOM 0 HA MET A 51 13.685 1.864 -4.585 1.00 0.00 H new ATOM 0 HB2 MET A 51 13.347 0.544 -1.875 1.00 0.00 H new ATOM 0 HB3 MET A 51 12.005 1.299 -2.712 1.00 0.00 H new ATOM 0 HG2 MET A 51 13.663 -1.055 -3.666 1.00 0.00 H new ATOM 0 HG3 MET A 51 11.987 -1.081 -3.155 1.00 0.00 H new ATOM 0 HE1 MET A 51 10.332 1.201 -5.886 1.00 0.00 H new ATOM 0 HE2 MET A 51 10.690 1.210 -4.143 1.00 0.00 H new ATOM 0 HE3 MET A 51 11.694 2.162 -5.262 1.00 0.00 H new ATOM 847 N ALA A 52 14.505 3.385 -1.795 1.00 0.00 N ATOM 848 CA ALA A 52 14.455 4.664 -1.097 1.00 0.00 C ATOM 849 C ALA A 52 14.854 5.809 -2.022 1.00 0.00 C ATOM 850 O ALA A 52 14.412 6.944 -1.847 1.00 0.00 O ATOM 851 CB ALA A 52 15.357 4.633 0.127 1.00 0.00 C ATOM 0 H ALA A 52 15.127 2.696 -1.371 1.00 0.00 H new ATOM 0 HA ALA A 52 13.428 4.834 -0.773 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.310 5.594 0.638 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.025 3.845 0.804 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.384 4.437 -0.182 1.00 0.00 H new ATOM 857 N ALA A 53 15.690 5.502 -3.009 1.00 0.00 N ATOM 858 CA ALA A 53 16.146 6.505 -3.964 1.00 0.00 C ATOM 859 C ALA A 53 15.174 6.647 -5.135 1.00 0.00 C ATOM 860 O ALA A 53 15.437 7.390 -6.080 1.00 0.00 O ATOM 861 CB ALA A 53 17.536 6.154 -4.471 1.00 0.00 C ATOM 0 H ALA A 53 16.065 4.567 -3.168 1.00 0.00 H new ATOM 0 HA ALA A 53 16.186 7.464 -3.448 1.00 0.00 H new ATOM 0 HB1 ALA A 53 17.865 6.910 -5.183 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.231 6.119 -3.632 1.00 0.00 H new ATOM 0 HB3 ALA A 53 17.509 5.181 -4.961 1.00 0.00 H new ATOM 867 N SER A 54 14.052 5.932 -5.071 1.00 0.00 N ATOM 868 CA SER A 54 13.052 5.987 -6.132 1.00 0.00 C ATOM 869 C SER A 54 11.669 6.302 -5.569 1.00 0.00 C ATOM 870 O SER A 54 10.891 7.029 -6.186 1.00 0.00 O ATOM 871 CB SER A 54 13.015 4.662 -6.896 1.00 0.00 C ATOM 872 OG SER A 54 14.074 4.584 -7.834 1.00 0.00 O ATOM 0 H SER A 54 13.814 5.310 -4.298 1.00 0.00 H new ATOM 0 HA SER A 54 13.333 6.787 -6.817 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.086 3.832 -6.193 1.00 0.00 H new ATOM 0 HB3 SER A 54 12.060 4.563 -7.412 1.00 0.00 H new ATOM 0 HG SER A 54 14.029 3.727 -8.308 1.00 0.00 H new ATOM 878 N LEU A 55 11.368 5.753 -4.398 1.00 0.00 N ATOM 879 CA LEU A 55 10.078 5.981 -3.759 1.00 0.00 C ATOM 880 C LEU A 55 10.023 7.357 -3.095 1.00 0.00 C ATOM 881 O LEU A 55 8.961 7.801 -2.662 1.00 0.00 O ATOM 882 CB LEU A 55 9.801 4.894 -2.720 1.00 0.00 C ATOM 883 CG LEU A 55 9.156 3.621 -3.269 1.00 0.00 C ATOM 884 CD1 LEU A 55 8.855 2.646 -2.142 1.00 0.00 C ATOM 885 CD2 LEU A 55 7.887 3.956 -4.039 1.00 0.00 C ATOM 0 H LEU A 55 11.999 5.148 -3.873 1.00 0.00 H new ATOM 0 HA LEU A 55 9.312 5.944 -4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.741 4.627 -2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.152 5.308 -1.948 1.00 0.00 H new ATOM 0 HG LEU A 55 9.859 3.147 -3.954 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.396 1.746 -2.552 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.782 2.381 -1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.171 3.111 -1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.441 3.038 -4.423 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.179 4.453 -3.376 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.130 4.617 -4.871 1.00 0.00 H new ATOM 897 N LEU A 56 11.171 8.026 -3.013 1.00 0.00 N ATOM 898 CA LEU A 56 11.238 9.345 -2.395 1.00 0.00 C ATOM 899 C LEU A 56 12.124 10.293 -3.200 1.00 0.00 C ATOM 900 O LEU A 56 12.690 11.238 -2.652 1.00 0.00 O ATOM 901 CB LEU A 56 11.765 9.230 -0.963 1.00 0.00 C ATOM 902 CG LEU A 56 11.097 10.161 0.050 1.00 0.00 C ATOM 903 CD1 LEU A 56 11.455 11.610 -0.240 1.00 0.00 C ATOM 904 CD2 LEU A 56 9.588 9.968 0.034 1.00 0.00 C ATOM 0 H LEU A 56 12.062 7.677 -3.365 1.00 0.00 H new ATOM 0 HA LEU A 56 10.229 9.757 -2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.637 8.201 -0.627 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.836 9.433 -0.969 1.00 0.00 H new ATOM 0 HG LEU A 56 11.465 9.911 1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.971 12.258 0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.536 11.737 -0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.115 11.875 -1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.128 10.638 0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.203 10.192 -0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.350 8.936 0.291 1.00 0.00 H new ATOM 916 N ASN A 57 12.242 10.040 -4.501 1.00 0.00 N ATOM 917 CA ASN A 57 13.060 10.880 -5.366 1.00 0.00 C ATOM 918 C ASN A 57 12.230 12.012 -5.970 1.00 0.00 C ATOM 919 O ASN A 57 11.367 11.772 -6.814 1.00 0.00 O ATOM 920 CB ASN A 57 13.682 10.043 -6.485 1.00 0.00 C ATOM 921 CG ASN A 57 12.647 9.259 -7.267 1.00 0.00 C ATOM 922 OD1 ASN A 57 11.457 9.299 -6.956 1.00 0.00 O ATOM 923 ND2 ASN A 57 13.097 8.542 -8.290 1.00 0.00 N ATOM 0 H ASN A 57 11.783 9.263 -4.976 1.00 0.00 H new ATOM 0 HA ASN A 57 13.854 11.316 -4.759 1.00 0.00 H new ATOM 0 HB2 ASN A 57 14.227 10.698 -7.165 1.00 0.00 H new ATOM 0 HB3 ASN A 57 14.409 9.353 -6.057 1.00 0.00 H new ATOM 0 HD21 ASN A 57 12.447 7.995 -8.854 1.00 0.00 H new ATOM 0 HD22 ASN A 57 14.093 8.539 -8.512 1.00 0.00 H new ATOM 930 N PRO A 58 12.481 13.269 -5.553 1.00 0.00 N ATOM 931 CA PRO A 58 11.753 14.433 -6.068 1.00 0.00 C ATOM 932 C PRO A 58 12.181 14.808 -7.487 1.00 0.00 C ATOM 933 O PRO A 58 11.789 15.853 -8.006 1.00 0.00 O ATOM 934 CB PRO A 58 12.116 15.563 -5.088 1.00 0.00 C ATOM 935 CG PRO A 58 12.892 14.918 -3.984 1.00 0.00 C ATOM 936 CD PRO A 58 13.484 13.665 -4.559 1.00 0.00 C ATOM 0 HA PRO A 58 10.683 14.237 -6.131 1.00 0.00 H new ATOM 0 HB2 PRO A 58 12.708 16.333 -5.583 1.00 0.00 H new ATOM 0 HB3 PRO A 58 11.219 16.048 -4.703 1.00 0.00 H new ATOM 0 HG2 PRO A 58 13.673 15.584 -3.618 1.00 0.00 H new ATOM 0 HG3 PRO A 58 12.245 14.689 -3.137 1.00 0.00 H new ATOM 0 HD2 PRO A 58 14.457 13.848 -5.015 1.00 0.00 H new ATOM 0 HD3 PRO A 58 13.627 12.897 -3.798 1.00 0.00 H new ATOM 944 N TYR A 59 12.993 13.955 -8.106 1.00 0.00 N ATOM 945 CA TYR A 59 13.481 14.198 -9.455 1.00 0.00 C ATOM 946 C TYR A 59 12.490 13.693 -10.499 1.00 0.00 C ATOM 947 O TYR A 59 12.399 14.241 -11.597 1.00 0.00 O ATOM 948 CB TYR A 59 14.835 13.513 -9.643 1.00 0.00 C ATOM 949 CG TYR A 59 15.940 14.128 -8.815 1.00 0.00 C ATOM 950 CD1 TYR A 59 15.854 14.168 -7.428 1.00 0.00 C ATOM 951 CD2 TYR A 59 17.067 14.673 -9.418 1.00 0.00 C ATOM 952 CE1 TYR A 59 16.858 14.732 -6.667 1.00 0.00 C ATOM 953 CE2 TYR A 59 18.078 15.238 -8.662 1.00 0.00 C ATOM 954 CZ TYR A 59 17.968 15.265 -7.288 1.00 0.00 C ATOM 955 OH TYR A 59 18.971 15.827 -6.532 1.00 0.00 O ATOM 0 H TYR A 59 13.327 13.086 -7.690 1.00 0.00 H new ATOM 0 HA TYR A 59 13.594 15.274 -9.591 1.00 0.00 H new ATOM 0 HB2 TYR A 59 14.740 12.459 -9.382 1.00 0.00 H new ATOM 0 HB3 TYR A 59 15.113 13.557 -10.696 1.00 0.00 H new ATOM 0 HD1 TYR A 59 14.987 13.751 -6.938 1.00 0.00 H new ATOM 0 HD2 TYR A 59 17.155 14.655 -10.494 1.00 0.00 H new ATOM 0 HE1 TYR A 59 16.775 14.756 -5.590 1.00 0.00 H new ATOM 0 HE2 TYR A 59 18.949 15.656 -9.145 1.00 0.00 H new ATOM 0 HH TYR A 59 19.681 16.155 -7.122 1.00 0.00 H new ATOM 965 N VAL A 60 11.751 12.644 -10.152 1.00 0.00 N ATOM 966 CA VAL A 60 10.771 12.070 -11.064 1.00 0.00 C ATOM 967 C VAL A 60 9.665 13.075 -11.390 1.00 0.00 C ATOM 968 O VAL A 60 9.774 13.824 -12.360 1.00 0.00 O ATOM 969 CB VAL A 60 10.161 10.773 -10.495 1.00 0.00 C ATOM 970 CG1 VAL A 60 9.270 10.109 -11.530 1.00 0.00 C ATOM 971 CG2 VAL A 60 11.258 9.821 -10.041 1.00 0.00 C ATOM 0 H VAL A 60 11.813 12.176 -9.248 1.00 0.00 H new ATOM 0 HA VAL A 60 11.297 11.822 -11.986 1.00 0.00 H new ATOM 0 HB VAL A 60 9.551 11.028 -9.629 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.847 9.195 -11.113 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.464 10.789 -11.806 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.859 9.866 -12.415 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.808 8.911 -9.642 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.895 9.569 -10.889 1.00 0.00 H new ATOM 0 HG23 VAL A 60 11.857 10.299 -9.266 1.00 0.00 H new ATOM 981 N LYS A 61 8.606 13.098 -10.580 1.00 0.00 N ATOM 982 CA LYS A 61 7.491 14.020 -10.792 1.00 0.00 C ATOM 983 C LYS A 61 6.327 13.678 -9.867 1.00 0.00 C ATOM 984 O LYS A 61 6.478 12.901 -8.924 1.00 0.00 O ATOM 985 CB LYS A 61 7.020 13.983 -12.252 1.00 0.00 C ATOM 986 CG LYS A 61 6.929 15.357 -12.898 1.00 0.00 C ATOM 987 CD LYS A 61 8.293 16.023 -12.990 1.00 0.00 C ATOM 988 CE LYS A 61 8.167 17.523 -13.202 1.00 0.00 C ATOM 989 NZ LYS A 61 9.497 18.191 -13.248 1.00 0.00 N ATOM 0 H LYS A 61 8.497 12.488 -9.770 1.00 0.00 H new ATOM 0 HA LYS A 61 7.843 15.026 -10.563 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.705 13.364 -12.830 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.042 13.504 -12.297 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.501 15.263 -13.896 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.254 15.988 -12.320 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.856 15.829 -12.077 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.859 15.584 -13.812 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.632 17.714 -14.132 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.572 17.955 -12.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.368 19.213 -13.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.998 18.030 -12.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.056 17.798 -14.032 1.00 0.00 H new ATOM 1003 N ARG A 62 5.165 14.258 -10.147 1.00 0.00 N ATOM 1004 CA ARG A 62 3.974 14.009 -9.344 1.00 0.00 C ATOM 1005 C ARG A 62 3.093 12.951 -10.001 1.00 0.00 C ATOM 1006 O ARG A 62 2.379 12.215 -9.321 1.00 0.00 O ATOM 1007 CB ARG A 62 3.182 15.303 -9.150 1.00 0.00 C ATOM 1008 CG ARG A 62 1.919 15.125 -8.320 1.00 0.00 C ATOM 1009 CD ARG A 62 2.224 14.519 -6.959 1.00 0.00 C ATOM 1010 NE ARG A 62 1.713 15.343 -5.866 1.00 0.00 N ATOM 1011 CZ ARG A 62 2.152 15.268 -4.612 1.00 0.00 C ATOM 1012 NH1 ARG A 62 3.107 14.407 -4.285 1.00 0.00 N ATOM 1013 NH2 ARG A 62 1.633 16.057 -3.680 1.00 0.00 N ATOM 0 H ARG A 62 5.023 14.904 -10.924 1.00 0.00 H new ATOM 0 HA ARG A 62 4.292 13.640 -8.369 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.822 16.042 -8.668 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.911 15.704 -10.127 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.431 16.091 -8.188 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.218 14.484 -8.855 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.784 13.523 -6.899 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.302 14.399 -6.849 1.00 0.00 H new ATOM 0 HE ARG A 62 0.976 16.016 -6.077 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.509 13.797 -4.997 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.439 14.355 -3.322 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.898 16.720 -3.925 1.00 0.00 H new ATOM 0 HH22 ARG A 62 1.969 16.000 -2.719 1.00 0.00 H new ATOM 1027 N SER A 63 3.151 12.880 -11.328 1.00 0.00 N ATOM 1028 CA SER A 63 2.359 11.909 -12.076 1.00 0.00 C ATOM 1029 C SER A 63 3.246 10.990 -12.913 1.00 0.00 C ATOM 1030 O SER A 63 2.750 10.098 -13.600 1.00 0.00 O ATOM 1031 CB SER A 63 1.350 12.625 -12.976 1.00 0.00 C ATOM 1032 OG SER A 63 1.924 13.774 -13.573 1.00 0.00 O ATOM 0 H SER A 63 3.737 13.482 -11.906 1.00 0.00 H new ATOM 0 HA SER A 63 1.822 11.294 -11.354 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.003 11.943 -13.752 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.477 12.913 -12.391 1.00 0.00 H new ATOM 0 HG SER A 63 1.259 14.212 -14.144 1.00 0.00 H new ATOM 1038 N VAL A 64 4.557 11.199 -12.844 1.00 0.00 N ATOM 1039 CA VAL A 64 5.495 10.370 -13.585 1.00 0.00 C ATOM 1040 C VAL A 64 5.875 9.152 -12.756 1.00 0.00 C ATOM 1041 O VAL A 64 5.700 8.012 -13.188 1.00 0.00 O ATOM 1042 CB VAL A 64 6.767 11.152 -13.967 1.00 0.00 C ATOM 1043 CG1 VAL A 64 7.709 10.282 -14.787 1.00 0.00 C ATOM 1044 CG2 VAL A 64 6.405 12.418 -14.728 1.00 0.00 C ATOM 0 H VAL A 64 4.991 11.933 -12.284 1.00 0.00 H new ATOM 0 HA VAL A 64 5.004 10.054 -14.505 1.00 0.00 H new ATOM 0 HB VAL A 64 7.282 11.438 -13.050 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.600 10.854 -15.046 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.996 9.407 -14.204 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.206 9.961 -15.699 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.315 12.958 -14.990 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.865 12.154 -15.637 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.775 13.051 -14.103 1.00 0.00 H new ATOM 1054 N LYS A 65 6.383 9.401 -11.553 1.00 0.00 N ATOM 1055 CA LYS A 65 6.772 8.325 -10.650 1.00 0.00 C ATOM 1056 C LYS A 65 5.619 7.347 -10.440 1.00 0.00 C ATOM 1057 O LYS A 65 5.838 6.168 -10.159 1.00 0.00 O ATOM 1058 CB LYS A 65 7.218 8.897 -9.302 1.00 0.00 C ATOM 1059 CG LYS A 65 7.734 7.844 -8.335 1.00 0.00 C ATOM 1060 CD LYS A 65 9.182 7.484 -8.624 1.00 0.00 C ATOM 1061 CE LYS A 65 9.467 6.025 -8.308 1.00 0.00 C ATOM 1062 NZ LYS A 65 8.922 5.114 -9.353 1.00 0.00 N ATOM 0 H LYS A 65 6.535 10.339 -11.182 1.00 0.00 H new ATOM 0 HA LYS A 65 7.605 7.788 -11.104 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.000 9.637 -9.472 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.379 9.420 -8.843 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.647 8.213 -7.313 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.115 6.950 -8.405 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.404 7.680 -9.673 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.841 8.121 -8.034 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.543 5.876 -8.222 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.031 5.771 -7.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.047 4.126 -9.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.910 5.309 -9.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.429 5.270 -10.248 1.00 0.00 H new ATOM 1076 N VAL A 66 4.387 7.839 -10.577 1.00 0.00 N ATOM 1077 CA VAL A 66 3.212 6.995 -10.399 1.00 0.00 C ATOM 1078 C VAL A 66 3.141 5.919 -11.478 1.00 0.00 C ATOM 1079 O VAL A 66 2.612 4.831 -11.249 1.00 0.00 O ATOM 1080 CB VAL A 66 1.909 7.823 -10.413 1.00 0.00 C ATOM 1081 CG1 VAL A 66 1.629 8.375 -11.804 1.00 0.00 C ATOM 1082 CG2 VAL A 66 0.740 6.985 -9.918 1.00 0.00 C ATOM 0 H VAL A 66 4.181 8.811 -10.809 1.00 0.00 H new ATOM 0 HA VAL A 66 3.310 6.518 -9.424 1.00 0.00 H new ATOM 0 HB VAL A 66 2.036 8.669 -9.737 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.706 8.954 -11.787 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.454 9.016 -12.114 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.526 7.550 -12.509 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.170 7.584 -9.935 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.615 6.117 -10.565 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.937 6.652 -8.899 1.00 0.00 H new ATOM 1092 N LYS A 67 3.681 6.226 -12.654 1.00 0.00 N ATOM 1093 CA LYS A 67 3.680 5.276 -13.760 1.00 0.00 C ATOM 1094 C LYS A 67 4.676 4.154 -13.499 1.00 0.00 C ATOM 1095 O LYS A 67 4.360 2.977 -13.674 1.00 0.00 O ATOM 1096 CB LYS A 67 4.018 5.984 -15.073 1.00 0.00 C ATOM 1097 CG LYS A 67 2.964 6.988 -15.512 1.00 0.00 C ATOM 1098 CD LYS A 67 1.734 6.294 -16.075 1.00 0.00 C ATOM 1099 CE LYS A 67 0.457 7.021 -15.685 1.00 0.00 C ATOM 1100 NZ LYS A 67 0.371 8.368 -16.313 1.00 0.00 N ATOM 0 H LYS A 67 4.123 7.121 -12.864 1.00 0.00 H new ATOM 0 HA LYS A 67 2.682 4.846 -13.842 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.973 6.497 -14.964 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.145 5.237 -15.857 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.676 7.609 -14.664 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.385 7.653 -16.266 1.00 0.00 H new ATOM 0 HD2 LYS A 67 1.808 6.244 -17.161 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.695 5.267 -15.711 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.406 6.425 -15.984 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.414 7.123 -14.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.522 8.824 -16.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.171 8.951 -15.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.403 8.271 -17.348 1.00 0.00 H new ATOM 1114 N SER A 68 5.877 4.525 -13.067 1.00 0.00 N ATOM 1115 CA SER A 68 6.913 3.545 -12.769 1.00 0.00 C ATOM 1116 C SER A 68 6.442 2.591 -11.679 1.00 0.00 C ATOM 1117 O SER A 68 6.894 1.448 -11.603 1.00 0.00 O ATOM 1118 CB SER A 68 8.202 4.245 -12.335 1.00 0.00 C ATOM 1119 OG SER A 68 9.091 3.336 -11.710 1.00 0.00 O ATOM 0 H SER A 68 6.156 5.495 -12.916 1.00 0.00 H new ATOM 0 HA SER A 68 7.115 2.971 -13.674 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.686 4.693 -13.203 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.965 5.057 -11.648 1.00 0.00 H new ATOM 0 HG SER A 68 9.927 3.797 -11.487 1.00 0.00 H new ATOM 1125 N LEU A 69 5.523 3.063 -10.840 1.00 0.00 N ATOM 1126 CA LEU A 69 4.985 2.244 -9.764 1.00 0.00 C ATOM 1127 C LEU A 69 4.311 1.001 -10.331 1.00 0.00 C ATOM 1128 O LEU A 69 4.502 -0.102 -9.826 1.00 0.00 O ATOM 1129 CB LEU A 69 3.990 3.051 -8.927 1.00 0.00 C ATOM 1130 CG LEU A 69 4.554 3.617 -7.624 1.00 0.00 C ATOM 1131 CD1 LEU A 69 5.698 4.577 -7.911 1.00 0.00 C ATOM 1132 CD2 LEU A 69 3.459 4.311 -6.825 1.00 0.00 C ATOM 0 H LEU A 69 5.138 4.006 -10.887 1.00 0.00 H new ATOM 0 HA LEU A 69 5.808 1.932 -9.121 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.614 3.876 -9.532 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.137 2.415 -8.690 1.00 0.00 H new ATOM 0 HG LEU A 69 4.941 2.790 -7.028 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.087 4.970 -6.972 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.492 4.049 -8.440 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.336 5.400 -8.527 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.879 4.708 -5.901 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.041 5.128 -7.414 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.672 3.595 -6.588 1.00 0.00 H new ATOM 1144 N SER A 70 3.529 1.191 -11.394 1.00 0.00 N ATOM 1145 CA SER A 70 2.828 0.088 -12.045 1.00 0.00 C ATOM 1146 C SER A 70 3.766 -1.090 -12.279 1.00 0.00 C ATOM 1147 O SER A 70 3.350 -2.248 -12.221 1.00 0.00 O ATOM 1148 CB SER A 70 2.232 0.552 -13.375 1.00 0.00 C ATOM 1149 OG SER A 70 0.990 -0.082 -13.627 1.00 0.00 O ATOM 0 H SER A 70 3.366 2.102 -11.822 1.00 0.00 H new ATOM 0 HA SER A 70 2.023 -0.238 -11.387 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.095 1.633 -13.358 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.927 0.332 -14.185 1.00 0.00 H new ATOM 0 HG SER A 70 0.629 0.233 -14.482 1.00 0.00 H new ATOM 1155 N ASP A 71 5.035 -0.790 -12.536 1.00 0.00 N ATOM 1156 CA ASP A 71 6.028 -1.833 -12.767 1.00 0.00 C ATOM 1157 C ASP A 71 6.261 -2.638 -11.495 1.00 0.00 C ATOM 1158 O ASP A 71 6.596 -3.822 -11.548 1.00 0.00 O ATOM 1159 CB ASP A 71 7.344 -1.226 -13.258 1.00 0.00 C ATOM 1160 CG ASP A 71 7.251 -0.720 -14.684 1.00 0.00 C ATOM 1161 OD1 ASP A 71 6.687 -1.441 -15.534 1.00 0.00 O ATOM 1162 OD2 ASP A 71 7.743 0.396 -14.952 1.00 0.00 O ATOM 0 H ASP A 71 5.399 0.161 -12.589 1.00 0.00 H new ATOM 0 HA ASP A 71 5.647 -2.502 -13.538 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.629 -0.404 -12.602 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.133 -1.975 -13.192 1.00 0.00 H new ATOM 1167 N MET A 72 6.052 -1.994 -10.352 1.00 0.00 N ATOM 1168 CA MET A 72 6.206 -2.652 -9.064 1.00 0.00 C ATOM 1169 C MET A 72 4.836 -3.051 -8.528 1.00 0.00 C ATOM 1170 O MET A 72 4.712 -3.593 -7.430 1.00 0.00 O ATOM 1171 CB MET A 72 6.915 -1.729 -8.071 1.00 0.00 C ATOM 1172 CG MET A 72 7.181 -2.375 -6.721 1.00 0.00 C ATOM 1173 SD MET A 72 8.260 -1.377 -5.676 1.00 0.00 S ATOM 1174 CE MET A 72 7.257 0.091 -5.458 1.00 0.00 C ATOM 0 H MET A 72 5.775 -1.014 -10.294 1.00 0.00 H new ATOM 0 HA MET A 72 6.816 -3.546 -9.194 1.00 0.00 H new ATOM 0 HB2 MET A 72 7.862 -1.405 -8.502 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.309 -0.835 -7.923 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.234 -2.538 -6.207 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.634 -3.355 -6.874 1.00 0.00 H new ATOM 0 HE1 MET A 72 7.759 0.776 -4.774 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.113 0.580 -6.422 1.00 0.00 H new ATOM 0 HE3 MET A 72 6.288 -0.189 -5.045 1.00 0.00 H new ATOM 1184 N THR A 73 3.808 -2.780 -9.328 1.00 0.00 N ATOM 1185 CA THR A 73 2.441 -3.107 -8.970 1.00 0.00 C ATOM 1186 C THR A 73 1.937 -4.271 -9.817 1.00 0.00 C ATOM 1187 O THR A 73 1.000 -4.970 -9.433 1.00 0.00 O ATOM 1188 CB THR A 73 1.538 -1.882 -9.157 1.00 0.00 C ATOM 1189 OG1 THR A 73 2.306 -0.700 -9.259 1.00 0.00 O ATOM 1190 CG2 THR A 73 0.545 -1.675 -8.039 1.00 0.00 C ATOM 0 H THR A 73 3.904 -2.329 -10.238 1.00 0.00 H new ATOM 0 HA THR A 73 2.415 -3.403 -7.921 1.00 0.00 H new ATOM 0 HB THR A 73 0.987 -2.085 -10.075 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.232 -0.889 -9.001 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.056 -0.789 -8.245 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.106 -2.546 -7.965 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.079 -1.540 -7.098 1.00 0.00 H new ATOM 1198 N ALA A 74 2.570 -4.479 -10.971 1.00 0.00 N ATOM 1199 CA ALA A 74 2.187 -5.564 -11.864 1.00 0.00 C ATOM 1200 C ALA A 74 3.247 -6.665 -11.891 1.00 0.00 C ATOM 1201 O ALA A 74 3.124 -7.633 -12.641 1.00 0.00 O ATOM 1202 CB ALA A 74 1.946 -5.029 -13.268 1.00 0.00 C ATOM 0 H ALA A 74 3.348 -3.910 -11.306 1.00 0.00 H new ATOM 0 HA ALA A 74 1.263 -6.000 -11.485 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.660 -5.850 -13.926 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.146 -4.289 -13.243 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.859 -4.565 -13.642 1.00 0.00 H new ATOM 1208 N LYS A 75 4.291 -6.516 -11.074 1.00 0.00 N ATOM 1209 CA LYS A 75 5.360 -7.507 -11.023 1.00 0.00 C ATOM 1210 C LYS A 75 5.821 -7.761 -9.588 1.00 0.00 C ATOM 1211 O LYS A 75 6.936 -8.233 -9.364 1.00 0.00 O ATOM 1212 CB LYS A 75 6.545 -7.050 -11.875 1.00 0.00 C ATOM 1213 CG LYS A 75 7.296 -8.194 -12.537 1.00 0.00 C ATOM 1214 CD LYS A 75 6.866 -8.379 -13.984 1.00 0.00 C ATOM 1215 CE LYS A 75 5.389 -8.725 -14.086 1.00 0.00 C ATOM 1216 NZ LYS A 75 5.085 -9.507 -15.316 1.00 0.00 N ATOM 0 H LYS A 75 4.416 -5.724 -10.444 1.00 0.00 H new ATOM 0 HA LYS A 75 4.965 -8.441 -11.422 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.186 -6.368 -12.646 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.237 -6.487 -11.248 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.368 -7.999 -12.497 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.119 -9.116 -11.983 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.066 -7.466 -14.544 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.459 -9.170 -14.443 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.089 -9.298 -13.208 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.800 -7.808 -14.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.068 -9.723 -15.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.347 -8.951 -16.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.627 -10.395 -15.306 1.00 0.00 H new ATOM 1230 N GLU A 76 4.963 -7.451 -8.620 1.00 0.00 N ATOM 1231 CA GLU A 76 5.297 -7.654 -7.214 1.00 0.00 C ATOM 1232 C GLU A 76 4.207 -8.443 -6.502 1.00 0.00 C ATOM 1233 O GLU A 76 4.488 -9.391 -5.767 1.00 0.00 O ATOM 1234 CB GLU A 76 5.514 -6.309 -6.520 1.00 0.00 C ATOM 1235 CG GLU A 76 6.727 -6.286 -5.605 1.00 0.00 C ATOM 1236 CD GLU A 76 6.831 -5.002 -4.806 1.00 0.00 C ATOM 1237 OE1 GLU A 76 5.786 -4.519 -4.320 1.00 0.00 O ATOM 1238 OE2 GLU A 76 7.956 -4.480 -4.666 1.00 0.00 O ATOM 0 H GLU A 76 4.035 -7.060 -8.783 1.00 0.00 H new ATOM 0 HA GLU A 76 6.221 -8.230 -7.166 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.625 -5.533 -7.277 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.626 -6.062 -5.938 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.677 -7.133 -4.920 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.630 -6.412 -6.202 1.00 0.00 H new ATOM 1245 N LYS A 77 2.965 -8.042 -6.726 1.00 0.00 N ATOM 1246 CA LYS A 77 1.813 -8.695 -6.115 1.00 0.00 C ATOM 1247 C LYS A 77 0.573 -7.840 -6.326 1.00 0.00 C ATOM 1248 O LYS A 77 -0.525 -8.352 -6.547 1.00 0.00 O ATOM 1249 CB LYS A 77 2.051 -8.926 -4.619 1.00 0.00 C ATOM 1250 CG LYS A 77 2.341 -10.376 -4.266 1.00 0.00 C ATOM 1251 CD LYS A 77 3.136 -10.486 -2.976 1.00 0.00 C ATOM 1252 CE LYS A 77 2.714 -11.700 -2.164 1.00 0.00 C ATOM 1253 NZ LYS A 77 3.582 -12.879 -2.435 1.00 0.00 N ATOM 0 H LYS A 77 2.726 -7.258 -7.333 1.00 0.00 H new ATOM 0 HA LYS A 77 1.666 -9.666 -6.588 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.887 -8.307 -4.293 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.173 -8.594 -4.064 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.403 -10.922 -4.164 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.896 -10.845 -5.078 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.199 -10.553 -3.207 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.995 -9.583 -2.382 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.752 -11.458 -1.102 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.679 -11.950 -2.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.261 -13.685 -1.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.526 -13.127 -3.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.566 -12.649 -2.189 1.00 0.00 H new ATOM 1267 N PHE A 78 0.769 -6.528 -6.268 1.00 0.00 N ATOM 1268 CA PHE A 78 -0.311 -5.574 -6.464 1.00 0.00 C ATOM 1269 C PHE A 78 -1.014 -5.808 -7.781 1.00 0.00 C ATOM 1270 O PHE A 78 -0.703 -6.756 -8.502 1.00 0.00 O ATOM 1271 CB PHE A 78 0.240 -4.155 -6.460 1.00 0.00 C ATOM 1272 CG PHE A 78 1.163 -3.878 -5.321 1.00 0.00 C ATOM 1273 CD1 PHE A 78 0.890 -4.369 -4.061 1.00 0.00 C ATOM 1274 CD2 PHE A 78 2.309 -3.134 -5.517 1.00 0.00 C ATOM 1275 CE1 PHE A 78 1.752 -4.121 -3.014 1.00 0.00 C ATOM 1276 CE2 PHE A 78 3.172 -2.879 -4.478 1.00 0.00 C ATOM 1277 CZ PHE A 78 2.895 -3.376 -3.219 1.00 0.00 C ATOM 0 H PHE A 78 1.676 -6.099 -6.085 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.021 -5.709 -5.648 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.768 -3.976 -7.397 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.591 -3.451 -6.423 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.004 -4.951 -3.894 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.531 -2.747 -6.501 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.532 -4.511 -2.031 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.063 -2.292 -4.645 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.570 -3.182 -2.399 1.00 0.00 H new ATOM 1287 N SER A 79 -1.939 -4.904 -8.090 1.00 0.00 N ATOM 1288 CA SER A 79 -2.700 -4.932 -9.333 1.00 0.00 C ATOM 1289 C SER A 79 -4.193 -4.764 -9.086 1.00 0.00 C ATOM 1290 O SER A 79 -4.864 -4.038 -9.818 1.00 0.00 O ATOM 1291 CB SER A 79 -2.459 -6.214 -10.142 1.00 0.00 C ATOM 1292 OG SER A 79 -3.336 -6.286 -11.253 1.00 0.00 O ATOM 0 H SER A 79 -2.183 -4.125 -7.479 1.00 0.00 H new ATOM 0 HA SER A 79 -2.339 -4.086 -9.918 1.00 0.00 H new ATOM 0 HB2 SER A 79 -1.426 -6.241 -10.488 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.604 -7.085 -9.502 1.00 0.00 H new ATOM 0 HG SER A 79 -3.163 -7.110 -11.754 1.00 0.00 H new ATOM 1298 N PRO A 80 -4.760 -5.469 -8.095 1.00 0.00 N ATOM 1299 CA PRO A 80 -6.178 -5.412 -7.824 1.00 0.00 C ATOM 1300 C PRO A 80 -6.575 -4.503 -6.668 1.00 0.00 C ATOM 1301 O PRO A 80 -7.098 -3.411 -6.893 1.00 0.00 O ATOM 1302 CB PRO A 80 -6.490 -6.872 -7.503 1.00 0.00 C ATOM 1303 CG PRO A 80 -5.206 -7.445 -6.955 1.00 0.00 C ATOM 1304 CD PRO A 80 -4.108 -6.429 -7.208 1.00 0.00 C ATOM 0 HA PRO A 80 -6.731 -4.985 -8.661 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.297 -6.950 -6.775 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.811 -7.410 -8.395 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.302 -7.649 -5.888 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.971 -8.392 -7.440 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.768 -5.961 -6.284 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.235 -6.884 -7.675 1.00 0.00 H new ATOM 1312 N LEU A 81 -6.340 -4.937 -5.434 1.00 0.00 N ATOM 1313 CA LEU A 81 -6.702 -4.120 -4.290 1.00 0.00 C ATOM 1314 C LEU A 81 -5.514 -3.292 -3.857 1.00 0.00 C ATOM 1315 O LEU A 81 -5.533 -2.636 -2.816 1.00 0.00 O ATOM 1316 CB LEU A 81 -7.201 -4.988 -3.142 1.00 0.00 C ATOM 1317 CG LEU A 81 -8.681 -5.369 -3.227 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -9.562 -4.148 -3.006 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -8.989 -6.010 -4.572 1.00 0.00 C ATOM 0 H LEU A 81 -5.909 -5.833 -5.206 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.512 -3.450 -4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.606 -5.901 -3.109 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.029 -4.461 -2.204 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.894 -6.094 -2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.610 -4.439 -3.070 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.362 -3.728 -2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.346 -3.400 -3.769 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.045 -6.275 -4.615 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.758 -5.306 -5.372 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.384 -6.909 -4.694 1.00 0.00 H new ATOM 1331 N THR A 82 -4.479 -3.330 -4.679 1.00 0.00 N ATOM 1332 CA THR A 82 -3.272 -2.595 -4.419 1.00 0.00 C ATOM 1333 C THR A 82 -2.896 -1.731 -5.614 1.00 0.00 C ATOM 1334 O THR A 82 -1.901 -1.009 -5.574 1.00 0.00 O ATOM 1335 CB THR A 82 -2.149 -3.555 -4.069 1.00 0.00 C ATOM 1336 OG1 THR A 82 -2.647 -4.873 -3.917 1.00 0.00 O ATOM 1337 CG2 THR A 82 -1.452 -3.177 -2.781 1.00 0.00 C ATOM 0 H THR A 82 -4.461 -3.873 -5.542 1.00 0.00 H new ATOM 0 HA THR A 82 -3.441 -1.931 -3.571 1.00 0.00 H new ATOM 0 HB THR A 82 -1.437 -3.501 -4.892 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.051 -4.970 -3.029 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.657 -3.893 -2.574 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.025 -2.179 -2.878 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.171 -3.186 -1.962 1.00 0.00 H new ATOM 1345 N SER A 83 -3.707 -1.779 -6.675 1.00 0.00 N ATOM 1346 CA SER A 83 -3.436 -0.966 -7.847 1.00 0.00 C ATOM 1347 C SER A 83 -4.199 0.350 -7.760 1.00 0.00 C ATOM 1348 O SER A 83 -4.599 0.930 -8.769 1.00 0.00 O ATOM 1349 CB SER A 83 -3.810 -1.698 -9.130 1.00 0.00 C ATOM 1350 OG SER A 83 -3.695 -0.845 -10.256 1.00 0.00 O ATOM 0 H SER A 83 -4.540 -2.364 -6.740 1.00 0.00 H new ATOM 0 HA SER A 83 -2.365 -0.763 -7.873 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.163 -2.565 -9.259 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.832 -2.071 -9.055 1.00 0.00 H new ATOM 0 HG SER A 83 -4.158 -0.001 -10.075 1.00 0.00 H new ATOM 1356 N ASN A 84 -4.375 0.805 -6.534 1.00 0.00 N ATOM 1357 CA ASN A 84 -5.064 2.048 -6.238 1.00 0.00 C ATOM 1358 C ASN A 84 -4.401 2.644 -5.018 1.00 0.00 C ATOM 1359 O ASN A 84 -4.051 3.823 -4.986 1.00 0.00 O ATOM 1360 CB ASN A 84 -6.552 1.803 -5.979 1.00 0.00 C ATOM 1361 CG ASN A 84 -7.363 3.083 -6.009 1.00 0.00 C ATOM 1362 OD1 ASN A 84 -6.920 4.100 -6.542 1.00 0.00 O ATOM 1363 ND2 ASN A 84 -8.559 3.039 -5.433 1.00 0.00 N ATOM 0 H ASN A 84 -4.039 0.316 -5.704 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.999 2.730 -7.086 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -6.940 1.113 -6.729 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.675 1.321 -5.009 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -9.150 3.870 -5.421 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -8.886 2.174 -5.003 1.00 0.00 H new ATOM 1370 N LEU A 85 -4.176 1.780 -4.035 1.00 0.00 N ATOM 1371 CA LEU A 85 -3.490 2.170 -2.828 1.00 0.00 C ATOM 1372 C LEU A 85 -2.042 2.488 -3.175 1.00 0.00 C ATOM 1373 O LEU A 85 -1.357 3.194 -2.435 1.00 0.00 O ATOM 1374 CB LEU A 85 -3.547 1.044 -1.790 1.00 0.00 C ATOM 1375 CG LEU A 85 -3.024 1.415 -0.400 1.00 0.00 C ATOM 1376 CD1 LEU A 85 -4.151 1.950 0.470 1.00 0.00 C ATOM 1377 CD2 LEU A 85 -2.364 0.213 0.260 1.00 0.00 C ATOM 0 H LEU A 85 -4.464 0.802 -4.059 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.973 3.048 -2.400 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.580 0.710 -1.695 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.971 0.197 -2.164 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.276 2.200 -0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.760 2.208 1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.579 2.838 0.005 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.923 1.188 0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.998 0.495 1.247 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.092 -0.593 0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.529 -0.126 -0.353 1.00 0.00 H new ATOM 1389 N ILE A 86 -1.576 1.963 -4.320 1.00 0.00 N ATOM 1390 CA ILE A 86 -0.213 2.207 -4.751 1.00 0.00 C ATOM 1391 C ILE A 86 -0.020 3.676 -5.114 1.00 0.00 C ATOM 1392 O ILE A 86 0.922 4.321 -4.655 1.00 0.00 O ATOM 1393 CB ILE A 86 0.179 1.293 -5.942 1.00 0.00 C ATOM 1394 CG1 ILE A 86 1.211 0.263 -5.485 1.00 0.00 C ATOM 1395 CG2 ILE A 86 0.719 2.095 -7.121 1.00 0.00 C ATOM 1396 CD1 ILE A 86 0.621 -0.838 -4.634 1.00 0.00 C ATOM 0 H ILE A 86 -2.124 1.376 -4.949 1.00 0.00 H new ATOM 0 HA ILE A 86 0.447 1.965 -3.918 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.722 0.782 -6.282 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.685 -0.179 -6.361 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.994 0.769 -4.920 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.981 1.417 -7.933 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.043 2.795 -7.465 1.00 0.00 H new ATOM 0 HG23 ILE A 86 1.605 2.648 -6.810 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.407 -1.535 -4.344 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.171 -0.406 -3.740 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.142 -1.369 -5.203 1.00 0.00 H new ATOM 1408 N ASN A 87 -0.925 4.200 -5.934 1.00 0.00 N ATOM 1409 CA ASN A 87 -0.859 5.595 -6.347 1.00 0.00 C ATOM 1410 C ASN A 87 -1.148 6.510 -5.164 1.00 0.00 C ATOM 1411 O ASN A 87 -0.557 7.580 -5.032 1.00 0.00 O ATOM 1412 CB ASN A 87 -1.855 5.866 -7.475 1.00 0.00 C ATOM 1413 CG ASN A 87 -1.527 5.089 -8.735 1.00 0.00 C ATOM 1414 OD1 ASN A 87 -0.429 4.550 -8.878 1.00 0.00 O ATOM 1415 ND2 ASN A 87 -2.480 5.027 -9.658 1.00 0.00 N ATOM 0 H ASN A 87 -1.711 3.680 -6.324 1.00 0.00 H new ATOM 0 HA ASN A 87 0.147 5.799 -6.713 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.859 5.604 -7.141 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -1.863 6.932 -7.701 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.316 4.518 -10.527 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.376 5.488 -9.498 1.00 0.00 H new ATOM 1422 N LEU A 88 -2.060 6.071 -4.300 1.00 0.00 N ATOM 1423 CA LEU A 88 -2.431 6.839 -3.119 1.00 0.00 C ATOM 1424 C LEU A 88 -1.273 6.901 -2.130 1.00 0.00 C ATOM 1425 O LEU A 88 -1.057 7.920 -1.476 1.00 0.00 O ATOM 1426 CB LEU A 88 -3.661 6.220 -2.450 1.00 0.00 C ATOM 1427 CG LEU A 88 -4.700 7.224 -1.947 1.00 0.00 C ATOM 1428 CD1 LEU A 88 -6.105 6.664 -2.107 1.00 0.00 C ATOM 1429 CD2 LEU A 88 -4.430 7.585 -0.494 1.00 0.00 C ATOM 0 H LEU A 88 -2.556 5.185 -4.398 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.672 7.855 -3.433 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.142 5.548 -3.160 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.330 5.611 -1.609 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.623 8.131 -2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.830 7.392 -1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.296 6.456 -3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.197 5.742 -1.532 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.178 8.300 -0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.480 6.686 0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.438 8.028 -0.408 1.00 0.00 H new ATOM 1441 N LEU A 89 -0.526 5.805 -2.030 1.00 0.00 N ATOM 1442 CA LEU A 89 0.612 5.744 -1.123 1.00 0.00 C ATOM 1443 C LEU A 89 1.742 6.641 -1.618 1.00 0.00 C ATOM 1444 O LEU A 89 2.549 7.133 -0.829 1.00 0.00 O ATOM 1445 CB LEU A 89 1.103 4.302 -0.979 1.00 0.00 C ATOM 1446 CG LEU A 89 0.660 3.601 0.305 1.00 0.00 C ATOM 1447 CD1 LEU A 89 0.996 2.118 0.253 1.00 0.00 C ATOM 1448 CD2 LEU A 89 1.309 4.257 1.514 1.00 0.00 C ATOM 0 H LEU A 89 -0.689 4.951 -2.564 1.00 0.00 H new ATOM 0 HA LEU A 89 0.291 6.102 -0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.748 3.725 -1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.192 4.298 -1.022 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.422 3.699 0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.672 1.639 1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.485 1.658 -0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 89 2.073 1.993 0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.985 3.748 2.422 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.393 4.188 1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.014 5.305 1.561 1.00 0.00 H new ATOM 1460 N ALA A 90 1.787 6.854 -2.928 1.00 0.00 N ATOM 1461 CA ALA A 90 2.811 7.697 -3.532 1.00 0.00 C ATOM 1462 C ALA A 90 2.194 8.944 -4.158 1.00 0.00 C ATOM 1463 O ALA A 90 2.764 9.535 -5.075 1.00 0.00 O ATOM 1464 CB ALA A 90 3.593 6.912 -4.574 1.00 0.00 C ATOM 0 H ALA A 90 1.125 6.454 -3.593 1.00 0.00 H new ATOM 0 HA ALA A 90 3.495 8.017 -2.746 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.354 7.554 -5.017 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.072 6.055 -4.100 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.914 6.564 -5.352 1.00 0.00 H new ATOM 1470 N GLU A 91 1.026 9.341 -3.657 1.00 0.00 N ATOM 1471 CA GLU A 91 0.337 10.520 -4.170 1.00 0.00 C ATOM 1472 C GLU A 91 0.805 11.777 -3.447 1.00 0.00 C ATOM 1473 O GLU A 91 1.084 12.799 -4.073 1.00 0.00 O ATOM 1474 CB GLU A 91 -1.178 10.363 -4.013 1.00 0.00 C ATOM 1475 CG GLU A 91 -1.970 11.563 -4.509 1.00 0.00 C ATOM 1476 CD GLU A 91 -2.515 12.410 -3.376 1.00 0.00 C ATOM 1477 OE1 GLU A 91 -3.296 11.878 -2.559 1.00 0.00 O ATOM 1478 OE2 GLU A 91 -2.161 13.606 -3.305 1.00 0.00 O ATOM 0 H GLU A 91 0.539 8.864 -2.898 1.00 0.00 H new ATOM 0 HA GLU A 91 0.576 10.618 -5.229 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.501 9.475 -4.557 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.410 10.195 -2.961 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.332 12.178 -5.143 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.797 11.217 -5.129 1.00 0.00 H new ATOM 1485 N ASN A 92 0.886 11.694 -2.123 1.00 0.00 N ATOM 1486 CA ASN A 92 1.320 12.826 -1.314 1.00 0.00 C ATOM 1487 C ASN A 92 2.749 12.628 -0.818 1.00 0.00 C ATOM 1488 O ASN A 92 3.469 13.595 -0.572 1.00 0.00 O ATOM 1489 CB ASN A 92 0.377 13.020 -0.125 1.00 0.00 C ATOM 1490 CG ASN A 92 -1.066 13.201 -0.555 1.00 0.00 C ATOM 1491 OD1 ASN A 92 -1.461 14.274 -1.009 1.00 0.00 O ATOM 1492 ND2 ASN A 92 -1.862 12.147 -0.412 1.00 0.00 N ATOM 0 H ASN A 92 0.657 10.856 -1.589 1.00 0.00 H new ATOM 0 HA ASN A 92 1.294 13.718 -1.940 1.00 0.00 H new ATOM 0 HB2 ASN A 92 0.450 12.158 0.538 1.00 0.00 H new ATOM 0 HB3 ASN A 92 0.694 13.891 0.449 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -2.843 12.208 -0.683 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -1.492 11.276 -0.031 1.00 0.00 H new ATOM 1499 N GLY A 93 3.152 11.370 -0.671 1.00 0.00 N ATOM 1500 CA GLY A 93 4.492 11.070 -0.203 1.00 0.00 C ATOM 1501 C GLY A 93 4.490 10.380 1.145 1.00 0.00 C ATOM 1502 O GLY A 93 5.305 10.694 2.013 1.00 0.00 O ATOM 0 H GLY A 93 2.574 10.553 -0.868 1.00 0.00 H new ATOM 0 HA2 GLY A 93 4.995 10.436 -0.932 1.00 0.00 H new ATOM 0 HA3 GLY A 93 5.066 11.994 -0.135 1.00 0.00 H new ATOM 1506 N ARG A 94 3.570 9.437 1.322 1.00 0.00 N ATOM 1507 CA ARG A 94 3.461 8.700 2.575 1.00 0.00 C ATOM 1508 C ARG A 94 4.178 7.357 2.482 1.00 0.00 C ATOM 1509 O ARG A 94 3.765 6.378 3.102 1.00 0.00 O ATOM 1510 CB ARG A 94 1.991 8.482 2.937 1.00 0.00 C ATOM 1511 CG ARG A 94 1.775 8.078 4.386 1.00 0.00 C ATOM 1512 CD ARG A 94 0.314 8.203 4.787 1.00 0.00 C ATOM 1513 NE ARG A 94 0.045 9.455 5.490 1.00 0.00 N ATOM 1514 CZ ARG A 94 -1.170 9.850 5.864 1.00 0.00 C ATOM 1515 NH1 ARG A 94 -2.230 9.094 5.604 1.00 0.00 N ATOM 1516 NH2 ARG A 94 -1.327 11.003 6.499 1.00 0.00 N ATOM 0 H ARG A 94 2.889 9.165 0.613 1.00 0.00 H new ATOM 0 HA ARG A 94 3.937 9.292 3.357 1.00 0.00 H new ATOM 0 HB2 ARG A 94 1.436 9.399 2.738 1.00 0.00 H new ATOM 0 HB3 ARG A 94 1.576 7.711 2.288 1.00 0.00 H new ATOM 0 HG2 ARG A 94 2.107 7.050 4.532 1.00 0.00 H new ATOM 0 HG3 ARG A 94 2.386 8.705 5.035 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.313 8.145 3.897 1.00 0.00 H new ATOM 0 HD3 ARG A 94 0.040 7.363 5.425 1.00 0.00 H new ATOM 0 HE ARG A 94 0.835 10.063 5.707 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -2.116 8.206 5.116 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -3.159 9.401 5.893 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -0.516 11.588 6.701 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -2.258 11.305 6.785 1.00 0.00 H new ATOM 1530 N LEU A 95 5.256 7.318 1.705 1.00 0.00 N ATOM 1531 CA LEU A 95 6.031 6.094 1.535 1.00 0.00 C ATOM 1532 C LEU A 95 7.248 6.092 2.453 1.00 0.00 C ATOM 1533 O LEU A 95 8.308 5.577 2.100 1.00 0.00 O ATOM 1534 CB LEU A 95 6.473 5.940 0.079 1.00 0.00 C ATOM 1535 CG LEU A 95 5.460 5.250 -0.836 1.00 0.00 C ATOM 1536 CD1 LEU A 95 5.574 5.783 -2.256 1.00 0.00 C ATOM 1537 CD2 LEU A 95 5.661 3.743 -0.812 1.00 0.00 C ATOM 0 H LEU A 95 5.612 8.119 1.184 1.00 0.00 H new ATOM 0 HA LEU A 95 5.395 5.250 1.802 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.690 6.929 -0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 95 7.405 5.375 0.056 1.00 0.00 H new ATOM 0 HG LEU A 95 4.458 5.469 -0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.846 5.281 -2.893 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.380 6.856 -2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.578 5.595 -2.636 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.932 3.268 -1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.668 3.505 -1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.528 3.374 0.205 1.00 0.00 H new ATOM 1549 N THR A 96 7.079 6.666 3.638 1.00 0.00 N ATOM 1550 CA THR A 96 8.152 6.729 4.622 1.00 0.00 C ATOM 1551 C THR A 96 7.737 5.996 5.890 1.00 0.00 C ATOM 1552 O THR A 96 8.527 5.270 6.493 1.00 0.00 O ATOM 1553 CB THR A 96 8.498 8.184 4.944 1.00 0.00 C ATOM 1554 OG1 THR A 96 7.511 8.760 5.782 1.00 0.00 O ATOM 1555 CG2 THR A 96 8.621 9.056 3.713 1.00 0.00 C ATOM 0 H THR A 96 6.205 7.096 3.941 1.00 0.00 H new ATOM 0 HA THR A 96 9.037 6.247 4.206 1.00 0.00 H new ATOM 0 HB THR A 96 9.467 8.148 5.442 1.00 0.00 H new ATOM 0 HG1 THR A 96 7.664 8.480 6.708 1.00 0.00 H new ATOM 0 HG21 THR A 96 8.868 10.075 4.012 1.00 0.00 H new ATOM 0 HG22 THR A 96 9.409 8.666 3.068 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.675 9.056 3.171 1.00 0.00 H new ATOM 1563 N ASN A 97 6.480 6.184 6.275 1.00 0.00 N ATOM 1564 CA ASN A 97 5.932 5.537 7.457 1.00 0.00 C ATOM 1565 C ASN A 97 4.738 4.667 7.076 1.00 0.00 C ATOM 1566 O ASN A 97 3.842 4.434 7.888 1.00 0.00 O ATOM 1567 CB ASN A 97 5.510 6.583 8.489 1.00 0.00 C ATOM 1568 CG ASN A 97 6.696 7.295 9.110 1.00 0.00 C ATOM 1569 OD1 ASN A 97 7.165 8.348 8.451 1.00 0.00 O flip ATOM 1570 ND2 ASN A 97 7.185 6.903 10.170 1.00 0.00 N flip ATOM 0 H ASN A 97 5.819 6.784 5.781 1.00 0.00 H new ATOM 0 HA ASN A 97 6.704 4.905 7.895 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.858 7.316 8.014 1.00 0.00 H new ATOM 0 HB3 ASN A 97 4.928 6.100 9.274 1.00 0.00 H new ATOM 0 HD21 ASN A 97 6.792 6.089 10.643 1.00 0.00 H new ATOM 0 HD22 ASN A 97 7.983 7.392 10.575 1.00 0.00 H new ATOM 1577 N THR A 98 4.732 4.192 5.831 1.00 0.00 N ATOM 1578 CA THR A 98 3.647 3.353 5.340 1.00 0.00 C ATOM 1579 C THR A 98 3.631 1.976 6.014 1.00 0.00 C ATOM 1580 O THR A 98 2.563 1.387 6.184 1.00 0.00 O ATOM 1581 CB THR A 98 3.732 3.194 3.818 1.00 0.00 C ATOM 1582 OG1 THR A 98 2.550 2.602 3.311 1.00 0.00 O ATOM 1583 CG2 THR A 98 4.899 2.348 3.356 1.00 0.00 C ATOM 0 H THR A 98 5.466 4.375 5.147 1.00 0.00 H new ATOM 0 HA THR A 98 2.714 3.856 5.596 1.00 0.00 H new ATOM 0 HB THR A 98 3.870 4.206 3.436 1.00 0.00 H new ATOM 0 HG1 THR A 98 2.785 1.852 2.726 1.00 0.00 H new ATOM 0 HG21 THR A 98 4.892 2.282 2.268 1.00 0.00 H new ATOM 0 HG22 THR A 98 5.832 2.804 3.686 1.00 0.00 H new ATOM 0 HG23 THR A 98 4.814 1.348 3.781 1.00 0.00 H new ATOM 1591 N PRO A 99 4.802 1.430 6.413 1.00 0.00 N ATOM 1592 CA PRO A 99 4.863 0.117 7.065 1.00 0.00 C ATOM 1593 C PRO A 99 3.917 0.022 8.257 1.00 0.00 C ATOM 1594 O PRO A 99 3.487 -1.067 8.636 1.00 0.00 O ATOM 1595 CB PRO A 99 6.319 0.010 7.523 1.00 0.00 C ATOM 1596 CG PRO A 99 7.068 0.889 6.585 1.00 0.00 C ATOM 1597 CD PRO A 99 6.144 2.031 6.271 1.00 0.00 C ATOM 0 HA PRO A 99 4.558 -0.686 6.394 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.436 0.340 8.555 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.676 -1.019 7.474 1.00 0.00 H new ATOM 0 HG2 PRO A 99 7.993 1.247 7.038 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.345 0.349 5.679 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.286 2.865 6.959 1.00 0.00 H new ATOM 0 HD3 PRO A 99 6.308 2.416 5.265 1.00 0.00 H new ATOM 1605 N ALA A 100 3.592 1.171 8.841 1.00 0.00 N ATOM 1606 CA ALA A 100 2.692 1.218 9.985 1.00 0.00 C ATOM 1607 C ALA A 100 1.247 1.003 9.548 1.00 0.00 C ATOM 1608 O ALA A 100 0.429 0.482 10.307 1.00 0.00 O ATOM 1609 CB ALA A 100 2.835 2.546 10.713 1.00 0.00 C ATOM 0 H ALA A 100 3.939 2.082 8.540 1.00 0.00 H new ATOM 0 HA ALA A 100 2.963 0.413 10.668 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.157 2.568 11.566 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.861 2.661 11.062 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.590 3.362 10.033 1.00 0.00 H new ATOM 1615 N VAL A 101 0.940 1.405 8.318 1.00 0.00 N ATOM 1616 CA VAL A 101 -0.405 1.254 7.777 1.00 0.00 C ATOM 1617 C VAL A 101 -0.714 -0.210 7.484 1.00 0.00 C ATOM 1618 O VAL A 101 -1.852 -0.656 7.630 1.00 0.00 O ATOM 1619 CB VAL A 101 -0.588 2.075 6.487 1.00 0.00 C ATOM 1620 CG1 VAL A 101 -2.038 2.041 6.029 1.00 0.00 C ATOM 1621 CG2 VAL A 101 -0.121 3.508 6.696 1.00 0.00 C ATOM 0 H VAL A 101 1.606 1.838 7.678 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.096 1.626 8.534 1.00 0.00 H new ATOM 0 HB VAL A 101 0.024 1.627 5.705 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.145 2.627 5.116 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.334 1.010 5.835 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.675 2.461 6.807 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.258 4.073 5.774 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.704 3.968 7.494 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.934 3.511 6.970 1.00 0.00 H new ATOM 1631 N ILE A 102 0.307 -0.953 7.069 1.00 0.00 N ATOM 1632 CA ILE A 102 0.146 -2.368 6.757 1.00 0.00 C ATOM 1633 C ILE A 102 -0.162 -3.174 8.014 1.00 0.00 C ATOM 1634 O ILE A 102 -0.965 -4.107 7.985 1.00 0.00 O ATOM 1635 CB ILE A 102 1.409 -2.942 6.086 1.00 0.00 C ATOM 1636 CG1 ILE A 102 1.800 -2.093 4.875 1.00 0.00 C ATOM 1637 CG2 ILE A 102 1.184 -4.390 5.673 1.00 0.00 C ATOM 1638 CD1 ILE A 102 3.296 -1.943 4.699 1.00 0.00 C ATOM 0 H ILE A 102 1.255 -0.598 6.941 1.00 0.00 H new ATOM 0 HA ILE A 102 -0.691 -2.448 6.064 1.00 0.00 H new ATOM 0 HB ILE A 102 2.226 -2.915 6.807 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.380 -2.543 3.975 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.353 -1.104 4.975 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.087 -4.778 5.201 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.950 -4.987 6.554 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.355 -4.443 4.968 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.499 -1.329 3.821 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.720 -1.465 5.582 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.747 -2.926 4.566 1.00 0.00 H new ATOM 1650 N SER A 103 0.481 -2.808 9.119 1.00 0.00 N ATOM 1651 CA SER A 103 0.275 -3.497 10.387 1.00 0.00 C ATOM 1652 C SER A 103 -1.190 -3.438 10.806 1.00 0.00 C ATOM 1653 O SER A 103 -1.768 -4.443 11.220 1.00 0.00 O ATOM 1654 CB SER A 103 1.155 -2.880 11.476 1.00 0.00 C ATOM 1655 OG SER A 103 0.986 -3.553 12.712 1.00 0.00 O ATOM 0 H SER A 103 1.149 -2.038 9.161 1.00 0.00 H new ATOM 0 HA SER A 103 0.554 -4.542 10.254 1.00 0.00 H new ATOM 0 HB2 SER A 103 2.201 -2.927 11.173 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.905 -1.826 11.595 1.00 0.00 H new ATOM 0 HG SER A 103 1.560 -3.140 13.390 1.00 0.00 H new ATOM 1661 N ALA A 104 -1.785 -2.256 10.693 1.00 0.00 N ATOM 1662 CA ALA A 104 -3.184 -2.069 11.056 1.00 0.00 C ATOM 1663 C ALA A 104 -4.086 -2.987 10.239 1.00 0.00 C ATOM 1664 O ALA A 104 -5.133 -3.428 10.712 1.00 0.00 O ATOM 1665 CB ALA A 104 -3.591 -0.615 10.862 1.00 0.00 C ATOM 0 H ALA A 104 -1.321 -1.414 10.353 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.300 -2.328 12.108 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -4.638 -0.491 11.137 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -2.972 0.023 11.492 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -3.455 -0.335 9.817 1.00 0.00 H new ATOM 1671 N PHE A 105 -3.669 -3.273 9.009 1.00 0.00 N ATOM 1672 CA PHE A 105 -4.436 -4.141 8.124 1.00 0.00 C ATOM 1673 C PHE A 105 -4.588 -5.532 8.727 1.00 0.00 C ATOM 1674 O PHE A 105 -5.614 -6.187 8.549 1.00 0.00 O ATOM 1675 CB PHE A 105 -3.757 -4.242 6.758 1.00 0.00 C ATOM 1676 CG PHE A 105 -4.683 -4.673 5.655 1.00 0.00 C ATOM 1677 CD1 PHE A 105 -5.203 -5.958 5.626 1.00 0.00 C ATOM 1678 CD2 PHE A 105 -5.034 -3.792 4.647 1.00 0.00 C ATOM 1679 CE1 PHE A 105 -6.053 -6.352 4.613 1.00 0.00 C ATOM 1680 CE2 PHE A 105 -5.884 -4.181 3.632 1.00 0.00 C ATOM 1681 CZ PHE A 105 -6.394 -5.463 3.616 1.00 0.00 C ATOM 0 H PHE A 105 -2.804 -2.916 8.603 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.427 -3.704 8.000 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.328 -3.273 6.503 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.930 -4.949 6.824 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -4.940 -6.658 6.405 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.638 -2.787 4.655 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -6.451 -7.356 4.601 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -6.150 -3.483 2.852 1.00 0.00 H new ATOM 0 HZ PHE A 105 -7.060 -5.770 2.823 1.00 0.00 H new ATOM 1691 N SER A 106 -3.556 -5.981 9.433 1.00 0.00 N ATOM 1692 CA SER A 106 -3.576 -7.300 10.053 1.00 0.00 C ATOM 1693 C SER A 106 -4.592 -7.363 11.187 1.00 0.00 C ATOM 1694 O SER A 106 -5.141 -8.425 11.480 1.00 0.00 O ATOM 1695 CB SER A 106 -2.185 -7.669 10.571 1.00 0.00 C ATOM 1696 OG SER A 106 -2.239 -8.810 11.410 1.00 0.00 O ATOM 0 H SER A 106 -2.698 -5.453 9.590 1.00 0.00 H new ATOM 0 HA SER A 106 -3.873 -8.021 9.291 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.520 -7.864 9.730 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.764 -6.828 11.122 1.00 0.00 H new ATOM 0 HG SER A 106 -1.337 -9.026 11.727 1.00 0.00 H new ATOM 1702 N THR A 107 -4.847 -6.225 11.818 1.00 0.00 N ATOM 1703 CA THR A 107 -5.808 -6.168 12.909 1.00 0.00 C ATOM 1704 C THR A 107 -7.191 -5.832 12.377 1.00 0.00 C ATOM 1705 O THR A 107 -8.202 -6.250 12.940 1.00 0.00 O ATOM 1706 CB THR A 107 -5.377 -5.141 13.957 1.00 0.00 C ATOM 1707 OG1 THR A 107 -4.086 -5.445 14.455 1.00 0.00 O ATOM 1708 CG2 THR A 107 -6.318 -5.062 15.140 1.00 0.00 C ATOM 0 H THR A 107 -4.404 -5.334 11.594 1.00 0.00 H new ATOM 0 HA THR A 107 -5.845 -7.148 13.385 1.00 0.00 H new ATOM 0 HB THR A 107 -5.386 -4.181 13.441 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.827 -4.776 15.123 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.954 -4.315 15.845 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.313 -4.781 14.795 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.366 -6.033 15.633 1.00 0.00 H new ATOM 1716 N MET A 108 -7.232 -5.093 11.275 1.00 0.00 N ATOM 1717 CA MET A 108 -8.494 -4.732 10.663 1.00 0.00 C ATOM 1718 C MET A 108 -8.978 -5.865 9.769 1.00 0.00 C ATOM 1719 O MET A 108 -10.176 -6.008 9.527 1.00 0.00 O ATOM 1720 CB MET A 108 -8.351 -3.448 9.853 1.00 0.00 C ATOM 1721 CG MET A 108 -8.000 -2.232 10.696 1.00 0.00 C ATOM 1722 SD MET A 108 -9.258 -1.858 11.932 1.00 0.00 S ATOM 1723 CE MET A 108 -9.199 -0.068 11.944 1.00 0.00 C ATOM 0 H MET A 108 -6.407 -4.736 10.793 1.00 0.00 H new ATOM 0 HA MET A 108 -9.227 -4.560 11.451 1.00 0.00 H new ATOM 0 HB2 MET A 108 -7.580 -3.590 9.096 1.00 0.00 H new ATOM 0 HB3 MET A 108 -9.285 -3.256 9.324 1.00 0.00 H new ATOM 0 HG2 MET A 108 -7.046 -2.403 11.194 1.00 0.00 H new ATOM 0 HG3 MET A 108 -7.868 -1.368 10.044 1.00 0.00 H new ATOM 0 HE1 MET A 108 -9.238 0.290 12.973 1.00 0.00 H new ATOM 0 HE2 MET A 108 -8.273 0.269 11.477 1.00 0.00 H new ATOM 0 HE3 MET A 108 -10.050 0.328 11.390 1.00 0.00 H new ATOM 1733 N MET A 109 -8.037 -6.678 9.287 1.00 0.00 N ATOM 1734 CA MET A 109 -8.382 -7.801 8.432 1.00 0.00 C ATOM 1735 C MET A 109 -8.969 -8.945 9.254 1.00 0.00 C ATOM 1736 O MET A 109 -9.543 -9.878 8.701 1.00 0.00 O ATOM 1737 CB MET A 109 -7.158 -8.292 7.655 1.00 0.00 C ATOM 1738 CG MET A 109 -6.071 -8.883 8.534 1.00 0.00 C ATOM 1739 SD MET A 109 -6.319 -10.639 8.863 1.00 0.00 S ATOM 1740 CE MET A 109 -5.149 -10.904 10.192 1.00 0.00 C ATOM 0 H MET A 109 -7.040 -6.577 9.475 1.00 0.00 H new ATOM 0 HA MET A 109 -9.133 -7.459 7.719 1.00 0.00 H new ATOM 0 HB2 MET A 109 -7.476 -9.043 6.932 1.00 0.00 H new ATOM 0 HB3 MET A 109 -6.741 -7.460 7.088 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.103 -8.741 8.053 1.00 0.00 H new ATOM 0 HG3 MET A 109 -6.040 -8.341 9.479 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.014 -11.974 10.350 1.00 0.00 H new ATOM 0 HE2 MET A 109 -4.192 -10.452 9.930 1.00 0.00 H new ATOM 0 HE3 MET A 109 -5.528 -10.447 11.106 1.00 0.00 H new ATOM 1750 N SER A 110 -8.827 -8.875 10.578 1.00 0.00 N ATOM 1751 CA SER A 110 -9.364 -9.916 11.447 1.00 0.00 C ATOM 1752 C SER A 110 -10.740 -9.522 11.974 1.00 0.00 C ATOM 1753 O SER A 110 -11.511 -10.372 12.418 1.00 0.00 O ATOM 1754 CB SER A 110 -8.410 -10.188 12.611 1.00 0.00 C ATOM 1755 OG SER A 110 -7.473 -11.198 12.279 1.00 0.00 O ATOM 0 H SER A 110 -8.350 -8.117 11.065 1.00 0.00 H new ATOM 0 HA SER A 110 -9.467 -10.829 10.860 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.883 -9.271 12.875 1.00 0.00 H new ATOM 0 HB3 SER A 110 -8.980 -10.491 13.489 1.00 0.00 H new ATOM 0 HG SER A 110 -6.874 -11.351 13.039 1.00 0.00 H new ATOM 1761 N VAL A 111 -11.046 -8.230 11.913 1.00 0.00 N ATOM 1762 CA VAL A 111 -12.333 -7.730 12.373 1.00 0.00 C ATOM 1763 C VAL A 111 -13.402 -7.898 11.296 1.00 0.00 C ATOM 1764 O VAL A 111 -14.596 -7.787 11.574 1.00 0.00 O ATOM 1765 CB VAL A 111 -12.250 -6.245 12.773 1.00 0.00 C ATOM 1766 CG1 VAL A 111 -13.561 -5.784 13.394 1.00 0.00 C ATOM 1767 CG2 VAL A 111 -11.089 -6.011 13.729 1.00 0.00 C ATOM 0 H VAL A 111 -10.419 -7.512 11.549 1.00 0.00 H new ATOM 0 HA VAL A 111 -12.607 -8.317 13.249 1.00 0.00 H new ATOM 0 HB VAL A 111 -12.073 -5.656 11.873 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -13.483 -4.732 13.670 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -14.369 -5.911 12.674 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -13.771 -6.378 14.283 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -11.047 -4.956 14.000 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -11.231 -6.611 14.628 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -10.156 -6.298 13.245 1.00 0.00 H new ATOM 1777 N HIS A 112 -12.970 -8.168 10.063 1.00 0.00 N ATOM 1778 CA HIS A 112 -13.892 -8.350 8.959 1.00 0.00 C ATOM 1779 C HIS A 112 -14.511 -9.745 8.991 1.00 0.00 C ATOM 1780 O HIS A 112 -15.613 -9.957 8.486 1.00 0.00 O ATOM 1781 CB HIS A 112 -13.161 -8.123 7.636 1.00 0.00 C ATOM 1782 CG HIS A 112 -12.483 -9.343 7.098 1.00 0.00 C ATOM 1783 ND1 HIS A 112 -11.763 -10.220 7.877 1.00 0.00 N ATOM 1784 CD2 HIS A 112 -12.431 -9.830 5.846 1.00 0.00 C ATOM 1785 CE1 HIS A 112 -11.297 -11.198 7.120 1.00 0.00 C ATOM 1786 NE2 HIS A 112 -11.690 -10.984 5.881 1.00 0.00 N ATOM 0 H HIS A 112 -11.986 -8.264 9.812 1.00 0.00 H new ATOM 0 HA HIS A 112 -14.698 -7.622 9.054 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -13.875 -7.760 6.896 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.418 -7.338 7.774 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -12.889 -9.392 4.972 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -10.697 -12.030 7.459 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -11.478 -11.578 5.080 1.00 0.00 H new ATOM 1795 N ARG A 113 -13.790 -10.696 9.583 1.00 0.00 N ATOM 1796 CA ARG A 113 -14.271 -12.067 9.668 1.00 0.00 C ATOM 1797 C ARG A 113 -15.458 -12.167 10.620 1.00 0.00 C ATOM 1798 O ARG A 113 -16.384 -12.946 10.393 1.00 0.00 O ATOM 1799 CB ARG A 113 -13.148 -12.997 10.131 1.00 0.00 C ATOM 1800 CG ARG A 113 -13.185 -14.368 9.477 1.00 0.00 C ATOM 1801 CD ARG A 113 -11.785 -14.915 9.251 1.00 0.00 C ATOM 1802 NE ARG A 113 -11.716 -16.356 9.478 1.00 0.00 N ATOM 1803 CZ ARG A 113 -10.579 -17.028 9.644 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -9.414 -16.392 9.609 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -10.606 -18.338 9.846 1.00 0.00 N ATOM 0 H ARG A 113 -12.876 -10.540 10.008 1.00 0.00 H new ATOM 0 HA ARG A 113 -14.598 -12.374 8.675 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -12.188 -12.528 9.917 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -13.210 -13.118 11.212 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -13.749 -15.057 10.106 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -13.710 -14.304 8.524 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -11.470 -14.693 8.231 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -11.086 -14.409 9.918 1.00 0.00 H new ATOM 0 HE ARG A 113 -12.591 -16.879 9.511 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -9.388 -15.384 9.454 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -8.545 -16.911 9.737 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -11.498 -18.831 9.874 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -9.734 -18.852 9.973 1.00 0.00 H new