USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 857 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 SER OG : rot 180:sc= 0.0201 USER MOD Set 1.2: A 97 LYS NZ :NH3+ 147:sc= -0.316 (180deg=-1.49) USER MOD Set 2.1: A 68 THR OG1 : rot -125:sc= 0.772 USER MOD Set 2.2: A 69 ASN : amide:sc= -1.95 K(o=-1.2,f=-2.1!) USER MOD Set 3.1: A 39 SER OG : rot 140:sc= -0.413 USER MOD Set 3.2: A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 154:sc= 0.0675 (180deg=-0.73) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 44:sc= 1.23 USER MOD Single : A 26 SER OG : rot -98:sc= 0.294 USER MOD Single : A 27 ASN : amide:sc= -0.443 K(o=-0.44,f=-1) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc=-0.00309 USER MOD Single : A 36 HIS : no HD1:sc= -0.232 X(o=-0.23,f=-0.0073) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -138:sc= 0.15 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 151:sc= -2.84 (180deg=-5.18!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 48:sc= -4.27! USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0873 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.176 X(o=-0.18,f=-0.59) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0081 USER MOD Single : A 83 THR OG1 : rot 67:sc= 0.218 USER MOD Single : A 88 LYS NZ :NH3+ 153:sc= 0.126 (180deg=0.00526) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 66:sc= 0.488 USER MOD ----------------------------------------------------------------- ATOM 168 N HIS A 12 12.599 10.540 -8.441 1.00 31.44 N ATOM 169 CA HIS A 12 11.446 10.946 -7.644 1.00 25.50 C ATOM 170 C HIS A 12 11.801 12.118 -6.734 1.00 54.25 C ATOM 171 O HIS A 12 12.830 12.105 -6.059 1.00 33.40 O ATOM 172 CB HIS A 12 10.939 9.771 -6.807 1.00 22.11 C ATOM 173 CG HIS A 12 10.075 8.818 -7.574 1.00 13.23 C ATOM 174 ND1 HIS A 12 8.710 8.730 -7.396 1.00 1.03 N ATOM 175 CD2 HIS A 12 10.388 7.910 -8.527 1.00 54.15 C ATOM 176 CE1 HIS A 12 8.221 7.808 -8.205 1.00 64.34 C ATOM 177 NE2 HIS A 12 9.219 7.295 -8.904 1.00 13.35 N ATOM 0 HA HIS A 12 10.657 11.264 -8.326 1.00 25.50 H new ATOM 0 HB2 HIS A 12 11.793 9.229 -6.402 1.00 22.11 H new ATOM 0 HB3 HIS A 12 10.375 10.157 -5.958 1.00 22.11 H new ATOM 0 HD2 HIS A 12 11.374 7.707 -8.919 1.00 54.15 H new ATOM 0 HE1 HIS A 12 7.183 7.522 -8.282 1.00 64.34 H new ATOM 0 HE2 HIS A 12 9.135 6.562 -9.608 1.00 13.35 H new ATOM 185 N VAL A 13 10.941 13.132 -6.723 1.00 4.51 N ATOM 186 CA VAL A 13 11.163 14.313 -5.896 1.00 63.04 C ATOM 187 C VAL A 13 10.084 14.446 -4.828 1.00 2.42 C ATOM 188 O VAL A 13 8.916 14.140 -5.069 1.00 42.54 O ATOM 189 CB VAL A 13 11.190 15.597 -6.747 1.00 75.21 C ATOM 190 CG1 VAL A 13 11.430 16.815 -5.868 1.00 62.14 C ATOM 191 CG2 VAL A 13 12.250 15.494 -7.833 1.00 1.42 C ATOM 0 H VAL A 13 10.085 13.159 -7.277 1.00 4.51 H new ATOM 0 HA VAL A 13 12.133 14.185 -5.415 1.00 63.04 H new ATOM 0 HB VAL A 13 10.220 15.713 -7.230 1.00 75.21 H new ATOM 0 HG11 VAL A 13 11.446 17.712 -6.486 1.00 62.14 H new ATOM 0 HG12 VAL A 13 10.630 16.896 -5.132 1.00 62.14 H new ATOM 0 HG13 VAL A 13 12.386 16.711 -5.355 1.00 62.14 H new ATOM 0 HG21 VAL A 13 12.255 16.410 -8.424 1.00 1.42 H new ATOM 0 HG22 VAL A 13 13.229 15.353 -7.374 1.00 1.42 H new ATOM 0 HG23 VAL A 13 12.027 14.645 -8.480 1.00 1.42 H new ATOM 201 N ILE A 14 10.483 14.905 -3.646 1.00 51.44 N ATOM 202 CA ILE A 14 9.549 15.081 -2.541 1.00 22.01 C ATOM 203 C ILE A 14 9.736 16.440 -1.875 1.00 35.25 C ATOM 204 O ILE A 14 10.682 17.167 -2.175 1.00 44.05 O ATOM 205 CB ILE A 14 9.716 13.975 -1.482 1.00 2.20 C ATOM 206 CG1 ILE A 14 11.139 13.989 -0.918 1.00 55.42 C ATOM 207 CG2 ILE A 14 9.391 12.615 -2.081 1.00 25.11 C ATOM 208 CD1 ILE A 14 11.298 14.877 0.296 1.00 44.30 C ATOM 0 H ILE A 14 11.446 15.161 -3.429 1.00 51.44 H new ATOM 0 HA ILE A 14 8.546 15.021 -2.962 1.00 22.01 H new ATOM 0 HB ILE A 14 9.020 14.166 -0.665 1.00 2.20 H new ATOM 0 HG12 ILE A 14 11.427 12.971 -0.654 1.00 55.42 H new ATOM 0 HG13 ILE A 14 11.826 14.323 -1.695 1.00 55.42 H new ATOM 0 HG21 ILE A 14 9.514 11.844 -1.321 1.00 25.11 H new ATOM 0 HG22 ILE A 14 8.361 12.612 -2.439 1.00 25.11 H new ATOM 0 HG23 ILE A 14 10.065 12.414 -2.914 1.00 25.11 H new ATOM 0 HD11 ILE A 14 12.331 14.838 0.642 1.00 44.30 H new ATOM 0 HD12 ILE A 14 11.042 15.903 0.032 1.00 44.30 H new ATOM 0 HD13 ILE A 14 10.636 14.530 1.090 1.00 44.30 H new ATOM 220 N LYS A 15 8.827 16.776 -0.966 1.00 14.43 N ATOM 221 CA LYS A 15 8.891 18.047 -0.253 1.00 31.44 C ATOM 222 C LYS A 15 7.853 18.097 0.864 1.00 20.21 C ATOM 223 O LYS A 15 7.300 19.155 1.163 1.00 0.13 O ATOM 224 CB LYS A 15 8.670 19.211 -1.221 1.00 71.43 C ATOM 225 CG LYS A 15 9.684 20.331 -1.067 1.00 53.11 C ATOM 226 CD LYS A 15 10.003 20.982 -2.403 1.00 24.45 C ATOM 227 CE LYS A 15 11.157 20.280 -3.103 1.00 31.55 C ATOM 228 NZ LYS A 15 10.681 19.382 -4.191 1.00 62.13 N ATOM 0 H LYS A 15 8.037 16.186 -0.705 1.00 14.43 H new ATOM 0 HA LYS A 15 9.882 18.136 0.191 1.00 31.44 H new ATOM 0 HB2 LYS A 15 8.709 18.835 -2.243 1.00 71.43 H new ATOM 0 HB3 LYS A 15 7.669 19.615 -1.068 1.00 71.43 H new ATOM 0 HG2 LYS A 15 9.296 21.082 -0.379 1.00 53.11 H new ATOM 0 HG3 LYS A 15 10.599 19.936 -0.626 1.00 53.11 H new ATOM 0 HD2 LYS A 15 9.120 20.957 -3.041 1.00 24.45 H new ATOM 0 HD3 LYS A 15 10.254 22.031 -2.247 1.00 24.45 H new ATOM 0 HE2 LYS A 15 11.837 21.024 -3.518 1.00 31.55 H new ATOM 0 HE3 LYS A 15 11.724 19.700 -2.375 1.00 31.55 H new ATOM 0 HZ1 LYS A 15 11.431 19.272 -4.904 1.00 62.13 H new ATOM 0 HZ2 LYS A 15 10.442 18.451 -3.793 1.00 62.13 H new ATOM 0 HZ3 LYS A 15 9.837 19.794 -4.637 1.00 62.13 H new ATOM 242 N SER A 16 7.595 16.946 1.478 1.00 54.52 N ATOM 243 CA SER A 16 6.621 16.859 2.560 1.00 4.32 C ATOM 244 C SER A 16 6.983 15.735 3.527 1.00 52.45 C ATOM 245 O SER A 16 7.753 14.835 3.190 1.00 73.21 O ATOM 246 CB SER A 16 5.218 16.630 1.995 1.00 1.25 C ATOM 247 OG SER A 16 4.429 17.802 2.100 1.00 14.32 O ATOM 0 H SER A 16 8.047 16.062 1.245 1.00 54.52 H new ATOM 0 HA SER A 16 6.635 17.803 3.105 1.00 4.32 H new ATOM 0 HB2 SER A 16 5.288 16.327 0.950 1.00 1.25 H new ATOM 0 HB3 SER A 16 4.735 15.813 2.532 1.00 1.25 H new ATOM 0 HG SER A 16 3.538 17.630 1.731 1.00 14.32 H new ATOM 253 N LEU A 17 6.422 15.795 4.729 1.00 33.22 N ATOM 254 CA LEU A 17 6.684 14.782 5.746 1.00 13.44 C ATOM 255 C LEU A 17 6.024 13.457 5.379 1.00 52.44 C ATOM 256 O LEU A 17 6.683 12.420 5.322 1.00 41.04 O ATOM 257 CB LEU A 17 6.176 15.257 7.109 1.00 0.21 C ATOM 258 CG LEU A 17 7.025 14.859 8.317 1.00 13.53 C ATOM 259 CD1 LEU A 17 8.385 15.536 8.260 1.00 44.32 C ATOM 260 CD2 LEU A 17 6.307 15.211 9.612 1.00 34.52 C ATOM 0 H LEU A 17 5.783 16.534 5.024 1.00 33.22 H new ATOM 0 HA LEU A 17 7.762 14.627 5.799 1.00 13.44 H new ATOM 0 HB2 LEU A 17 6.098 16.344 7.087 1.00 0.21 H new ATOM 0 HB3 LEU A 17 5.168 14.868 7.254 1.00 0.21 H new ATOM 0 HG LEU A 17 7.177 13.780 8.290 1.00 13.53 H new ATOM 0 HD11 LEU A 17 8.975 15.241 9.128 1.00 44.32 H new ATOM 0 HD12 LEU A 17 8.903 15.235 7.349 1.00 44.32 H new ATOM 0 HD13 LEU A 17 8.253 16.618 8.262 1.00 44.32 H new ATOM 0 HD21 LEU A 17 6.925 14.921 10.461 1.00 34.52 H new ATOM 0 HD22 LEU A 17 6.124 16.285 9.646 1.00 34.52 H new ATOM 0 HD23 LEU A 17 5.356 14.680 9.657 1.00 34.52 H new ATOM 272 N GLU A 18 4.719 13.501 5.128 1.00 11.32 N ATOM 273 CA GLU A 18 3.971 12.304 4.764 1.00 31.33 C ATOM 274 C GLU A 18 4.643 11.574 3.605 1.00 71.22 C ATOM 275 O GLU A 18 4.863 10.365 3.664 1.00 25.31 O ATOM 276 CB GLU A 18 2.533 12.668 4.387 1.00 4.23 C ATOM 277 CG GLU A 18 1.555 11.515 4.535 1.00 15.51 C ATOM 278 CD GLU A 18 0.132 11.911 4.190 1.00 33.35 C ATOM 279 OE1 GLU A 18 -0.654 12.170 5.126 1.00 75.32 O ATOM 280 OE2 GLU A 18 -0.196 11.961 2.987 1.00 62.34 O ATOM 0 H GLU A 18 4.159 14.352 5.170 1.00 11.32 H new ATOM 0 HA GLU A 18 3.955 11.640 5.629 1.00 31.33 H new ATOM 0 HB2 GLU A 18 2.201 13.497 5.012 1.00 4.23 H new ATOM 0 HB3 GLU A 18 2.515 13.019 3.355 1.00 4.23 H new ATOM 0 HG2 GLU A 18 1.867 10.694 3.890 1.00 15.51 H new ATOM 0 HG3 GLU A 18 1.587 11.145 5.560 1.00 15.51 H new ATOM 287 N GLU A 19 4.965 12.318 2.551 1.00 13.35 N ATOM 288 CA GLU A 19 5.610 11.742 1.378 1.00 70.32 C ATOM 289 C GLU A 19 6.828 10.914 1.778 1.00 3.51 C ATOM 290 O GLU A 19 7.115 9.879 1.176 1.00 60.02 O ATOM 291 CB GLU A 19 6.027 12.845 0.404 1.00 50.43 C ATOM 292 CG GLU A 19 6.207 12.360 -1.025 1.00 11.30 C ATOM 293 CD GLU A 19 4.886 12.141 -1.737 1.00 43.34 C ATOM 294 OE1 GLU A 19 4.313 13.131 -2.239 1.00 75.32 O ATOM 295 OE2 GLU A 19 4.427 10.982 -1.793 1.00 73.30 O ATOM 0 H GLU A 19 4.789 13.321 2.486 1.00 13.35 H new ATOM 0 HA GLU A 19 4.892 11.086 0.886 1.00 70.32 H new ATOM 0 HB2 GLU A 19 5.275 13.634 0.419 1.00 50.43 H new ATOM 0 HB3 GLU A 19 6.961 13.288 0.749 1.00 50.43 H new ATOM 0 HG2 GLU A 19 6.798 13.088 -1.580 1.00 11.30 H new ATOM 0 HG3 GLU A 19 6.772 11.428 -1.020 1.00 11.30 H new ATOM 302 N LEU A 20 7.542 11.379 2.798 1.00 70.22 N ATOM 303 CA LEU A 20 8.730 10.683 3.279 1.00 3.25 C ATOM 304 C LEU A 20 8.353 9.379 3.976 1.00 45.35 C ATOM 305 O LEU A 20 8.701 8.293 3.511 1.00 1.43 O ATOM 306 CB LEU A 20 9.515 11.579 4.239 1.00 25.35 C ATOM 307 CG LEU A 20 11.038 11.455 4.179 1.00 44.45 C ATOM 308 CD1 LEU A 20 11.580 12.144 2.935 1.00 23.25 C ATOM 309 CD2 LEU A 20 11.671 12.040 5.433 1.00 64.31 C ATOM 0 H LEU A 20 7.319 12.234 3.307 1.00 70.22 H new ATOM 0 HA LEU A 20 9.356 10.445 2.419 1.00 3.25 H new ATOM 0 HB2 LEU A 20 9.247 12.616 4.038 1.00 25.35 H new ATOM 0 HB3 LEU A 20 9.192 11.358 5.256 1.00 25.35 H new ATOM 0 HG LEU A 20 11.296 10.397 4.126 1.00 44.45 H new ATOM 0 HD11 LEU A 20 12.665 12.046 2.908 1.00 23.25 H new ATOM 0 HD12 LEU A 20 11.152 11.680 2.046 1.00 23.25 H new ATOM 0 HD13 LEU A 20 11.312 13.200 2.958 1.00 23.25 H new ATOM 0 HD21 LEU A 20 12.755 11.943 5.373 1.00 64.31 H new ATOM 0 HD22 LEU A 20 11.405 13.094 5.517 1.00 64.31 H new ATOM 0 HD23 LEU A 20 11.307 11.503 6.309 1.00 64.31 H new ATOM 321 N ARG A 21 7.639 9.495 5.090 1.00 31.32 N ATOM 322 CA ARG A 21 7.214 8.325 5.850 1.00 52.14 C ATOM 323 C ARG A 21 6.504 7.320 4.947 1.00 23.55 C ATOM 324 O ARG A 21 6.541 6.115 5.196 1.00 64.00 O ATOM 325 CB ARG A 21 6.288 8.742 6.993 1.00 14.45 C ATOM 326 CG ARG A 21 5.882 7.591 7.899 1.00 12.33 C ATOM 327 CD ARG A 21 4.556 7.868 8.591 1.00 21.52 C ATOM 328 NE ARG A 21 3.423 7.720 7.682 1.00 51.02 N ATOM 329 CZ ARG A 21 2.155 7.768 8.074 1.00 33.21 C ATOM 330 NH1 ARG A 21 1.860 7.958 9.353 1.00 54.55 N ATOM 331 NH2 ARG A 21 1.179 7.625 7.187 1.00 54.14 N ATOM 0 H ARG A 21 7.342 10.387 5.487 1.00 31.32 H new ATOM 0 HA ARG A 21 8.102 7.850 6.266 1.00 52.14 H new ATOM 0 HB2 ARG A 21 6.784 9.506 7.591 1.00 14.45 H new ATOM 0 HB3 ARG A 21 5.391 9.198 6.574 1.00 14.45 H new ATOM 0 HG2 ARG A 21 5.804 6.675 7.313 1.00 12.33 H new ATOM 0 HG3 ARG A 21 6.657 7.425 8.648 1.00 12.33 H new ATOM 0 HD2 ARG A 21 4.437 7.186 9.433 1.00 21.52 H new ATOM 0 HD3 ARG A 21 4.564 8.879 8.999 1.00 21.52 H new ATOM 0 HE ARG A 21 3.616 7.572 6.691 1.00 51.02 H new ATOM 0 HH11 ARG A 21 2.608 8.068 10.038 1.00 54.55 H new ATOM 0 HH12 ARG A 21 0.885 7.995 9.652 1.00 54.55 H new ATOM 0 HH21 ARG A 21 1.402 7.478 6.203 1.00 54.14 H new ATOM 0 HH22 ARG A 21 0.206 7.662 7.489 1.00 54.14 H new ATOM 345 N GLU A 22 5.859 7.824 3.900 1.00 31.14 N ATOM 346 CA GLU A 22 5.140 6.969 2.963 1.00 41.22 C ATOM 347 C GLU A 22 6.108 6.266 2.016 1.00 61.40 C ATOM 348 O GLU A 22 5.888 5.120 1.625 1.00 74.13 O ATOM 349 CB GLU A 22 4.131 7.792 2.159 1.00 32.11 C ATOM 350 CG GLU A 22 3.369 6.980 1.125 1.00 22.53 C ATOM 351 CD GLU A 22 2.427 5.971 1.754 1.00 3.22 C ATOM 352 OE1 GLU A 22 2.765 4.769 1.761 1.00 22.21 O ATOM 353 OE2 GLU A 22 1.353 6.384 2.239 1.00 61.32 O ATOM 0 H GLU A 22 5.820 8.819 3.679 1.00 31.14 H new ATOM 0 HA GLU A 22 4.606 6.212 3.537 1.00 41.22 H new ATOM 0 HB2 GLU A 22 3.419 8.250 2.846 1.00 32.11 H new ATOM 0 HB3 GLU A 22 4.656 8.604 1.656 1.00 32.11 H new ATOM 0 HG2 GLU A 22 2.799 7.655 0.487 1.00 22.53 H new ATOM 0 HG3 GLU A 22 4.079 6.458 0.483 1.00 22.53 H new ATOM 360 N ALA A 23 7.181 6.961 1.652 1.00 74.24 N ATOM 361 CA ALA A 23 8.183 6.403 0.752 1.00 2.24 C ATOM 362 C ALA A 23 8.945 5.263 1.419 1.00 20.20 C ATOM 363 O ALA A 23 9.490 4.388 0.745 1.00 41.11 O ATOM 364 CB ALA A 23 9.147 7.489 0.298 1.00 53.43 C ATOM 0 H ALA A 23 7.379 7.911 1.966 1.00 74.24 H new ATOM 0 HA ALA A 23 7.668 6.000 -0.121 1.00 2.24 H new ATOM 0 HB1 ALA A 23 9.890 7.059 -0.373 1.00 53.43 H new ATOM 0 HB2 ALA A 23 8.595 8.270 -0.224 1.00 53.43 H new ATOM 0 HB3 ALA A 23 9.648 7.917 1.166 1.00 53.43 H new ATOM 370 N THR A 24 8.980 5.278 2.748 1.00 62.20 N ATOM 371 CA THR A 24 9.677 4.246 3.506 1.00 51.12 C ATOM 372 C THR A 24 8.824 2.990 3.637 1.00 33.23 C ATOM 373 O THR A 24 9.347 1.884 3.774 1.00 12.44 O ATOM 374 CB THR A 24 10.058 4.744 4.913 1.00 62.42 C ATOM 375 OG1 THR A 24 9.102 5.708 5.367 1.00 20.34 O ATOM 376 CG2 THR A 24 11.448 5.362 4.910 1.00 51.52 C ATOM 0 H THR A 24 8.534 5.994 3.322 1.00 62.20 H new ATOM 0 HA THR A 24 10.586 4.008 2.954 1.00 51.12 H new ATOM 0 HB THR A 24 10.060 3.889 5.589 1.00 62.42 H new ATOM 0 HG1 THR A 24 8.197 5.391 5.165 1.00 20.34 H new ATOM 0 HG21 THR A 24 11.695 5.706 5.914 1.00 51.52 H new ATOM 0 HG22 THR A 24 12.177 4.616 4.592 1.00 51.52 H new ATOM 0 HG23 THR A 24 11.469 6.207 4.221 1.00 51.52 H new ATOM 384 N ALA A 25 7.507 3.167 3.594 1.00 62.11 N ATOM 385 CA ALA A 25 6.582 2.046 3.705 1.00 14.55 C ATOM 386 C ALA A 25 6.092 1.600 2.332 1.00 12.21 C ATOM 387 O ALA A 25 5.138 0.830 2.223 1.00 70.31 O ATOM 388 CB ALA A 25 5.403 2.422 4.592 1.00 63.40 C ATOM 0 H ALA A 25 7.057 4.076 3.483 1.00 62.11 H new ATOM 0 HA ALA A 25 7.114 1.211 4.160 1.00 14.55 H new ATOM 0 HB1 ALA A 25 4.720 1.576 4.667 1.00 63.40 H new ATOM 0 HB2 ALA A 25 5.765 2.685 5.586 1.00 63.40 H new ATOM 0 HB3 ALA A 25 4.879 3.274 4.159 1.00 63.40 H new ATOM 394 N SER A 26 6.750 2.090 1.286 1.00 30.22 N ATOM 395 CA SER A 26 6.378 1.745 -0.081 1.00 22.41 C ATOM 396 C SER A 26 6.527 0.246 -0.322 1.00 70.43 C ATOM 397 O SER A 26 6.738 -0.527 0.612 1.00 51.41 O ATOM 398 CB SER A 26 7.240 2.521 -1.078 1.00 4.31 C ATOM 399 OG SER A 26 8.591 2.095 -1.025 1.00 12.02 O ATOM 0 H SER A 26 7.543 2.727 1.359 1.00 30.22 H new ATOM 0 HA SER A 26 5.333 2.017 -0.227 1.00 22.41 H new ATOM 0 HB2 SER A 26 6.851 2.381 -2.086 1.00 4.31 H new ATOM 0 HB3 SER A 26 7.183 3.587 -0.860 1.00 4.31 H new ATOM 0 HG SER A 26 9.106 2.711 -0.463 1.00 12.02 H new ATOM 405 N ASN A 27 6.415 -0.158 -1.584 1.00 22.24 N ATOM 406 CA ASN A 27 6.536 -1.565 -1.949 1.00 45.25 C ATOM 407 C ASN A 27 7.596 -1.756 -3.031 1.00 32.35 C ATOM 408 O ASN A 27 7.312 -2.287 -4.105 1.00 23.14 O ATOM 409 CB ASN A 27 5.190 -2.104 -2.437 1.00 64.24 C ATOM 410 CG ASN A 27 5.240 -3.588 -2.746 1.00 72.20 C ATOM 411 OD1 ASN A 27 5.941 -4.349 -2.079 1.00 72.20 O ATOM 412 ND2 ASN A 27 4.494 -4.006 -3.762 1.00 34.21 N ATOM 0 H ASN A 27 6.241 0.468 -2.370 1.00 22.24 H new ATOM 0 HA ASN A 27 6.842 -2.120 -1.063 1.00 45.25 H new ATOM 0 HB2 ASN A 27 4.431 -1.919 -1.677 1.00 64.24 H new ATOM 0 HB3 ASN A 27 4.886 -1.559 -3.331 1.00 64.24 H new ATOM 0 HD21 ASN A 27 4.487 -4.994 -4.017 1.00 34.21 H new ATOM 0 HD22 ASN A 27 3.928 -3.339 -4.287 1.00 34.21 H new ATOM 419 N ARG A 28 8.817 -1.321 -2.738 1.00 40.04 N ATOM 420 CA ARG A 28 9.919 -1.444 -3.685 1.00 52.22 C ATOM 421 C ARG A 28 11.233 -1.001 -3.050 1.00 45.40 C ATOM 422 O ARG A 28 11.282 -0.674 -1.864 1.00 13.52 O ATOM 423 CB ARG A 28 9.639 -0.611 -4.937 1.00 54.33 C ATOM 424 CG ARG A 28 9.405 -1.446 -6.185 1.00 62.42 C ATOM 425 CD ARG A 28 10.677 -2.153 -6.628 1.00 73.23 C ATOM 426 NE ARG A 28 10.449 -3.015 -7.785 1.00 21.20 N ATOM 427 CZ ARG A 28 9.789 -4.166 -7.725 1.00 61.40 C ATOM 428 NH1 ARG A 28 9.294 -4.591 -6.571 1.00 32.12 N ATOM 429 NH2 ARG A 28 9.623 -4.895 -8.821 1.00 71.24 N ATOM 0 H ARG A 28 9.068 -0.880 -1.853 1.00 40.04 H new ATOM 0 HA ARG A 28 10.007 -2.493 -3.967 1.00 52.22 H new ATOM 0 HB2 ARG A 28 8.764 0.014 -4.759 1.00 54.33 H new ATOM 0 HB3 ARG A 28 10.480 0.060 -5.112 1.00 54.33 H new ATOM 0 HG2 ARG A 28 8.626 -2.183 -5.990 1.00 62.42 H new ATOM 0 HG3 ARG A 28 9.044 -0.806 -6.990 1.00 62.42 H new ATOM 0 HD2 ARG A 28 11.438 -1.412 -6.873 1.00 73.23 H new ATOM 0 HD3 ARG A 28 11.067 -2.749 -5.803 1.00 73.23 H new ATOM 0 HE ARG A 28 10.817 -2.717 -8.688 1.00 21.20 H new ATOM 0 HH11 ARG A 28 9.420 -4.034 -5.726 1.00 32.12 H new ATOM 0 HH12 ARG A 28 8.788 -5.475 -6.528 1.00 32.12 H new ATOM 0 HH21 ARG A 28 10.002 -4.572 -9.711 1.00 71.24 H new ATOM 0 HH22 ARG A 28 9.116 -5.779 -8.774 1.00 71.24 H new ATOM 443 N ILE A 29 12.297 -0.993 -3.847 1.00 14.00 N ATOM 444 CA ILE A 29 13.611 -0.590 -3.363 1.00 11.43 C ATOM 445 C ILE A 29 14.011 0.770 -3.926 1.00 70.21 C ATOM 446 O ILE A 29 14.237 0.913 -5.127 1.00 44.05 O ATOM 447 CB ILE A 29 14.690 -1.624 -3.734 1.00 34.21 C ATOM 448 CG1 ILE A 29 14.220 -3.035 -3.372 1.00 5.24 C ATOM 449 CG2 ILE A 29 15.999 -1.299 -3.032 1.00 24.04 C ATOM 450 CD1 ILE A 29 13.656 -3.804 -4.545 1.00 61.04 C ATOM 0 H ILE A 29 12.274 -1.261 -4.831 1.00 14.00 H new ATOM 0 HA ILE A 29 13.540 -0.525 -2.277 1.00 11.43 H new ATOM 0 HB ILE A 29 14.858 -1.582 -4.810 1.00 34.21 H new ATOM 0 HG12 ILE A 29 15.058 -3.592 -2.952 1.00 5.24 H new ATOM 0 HG13 ILE A 29 13.460 -2.967 -2.593 1.00 5.24 H new ATOM 0 HG21 ILE A 29 16.751 -2.039 -3.304 1.00 24.04 H new ATOM 0 HG22 ILE A 29 16.338 -0.308 -3.335 1.00 24.04 H new ATOM 0 HG23 ILE A 29 15.847 -1.316 -1.953 1.00 24.04 H new ATOM 0 HD11 ILE A 29 13.343 -4.794 -4.214 1.00 61.04 H new ATOM 0 HD12 ILE A 29 12.798 -3.269 -4.952 1.00 61.04 H new ATOM 0 HD13 ILE A 29 14.420 -3.903 -5.316 1.00 61.04 H new ATOM 462 N SER A 30 14.098 1.765 -3.050 1.00 12.25 N ATOM 463 CA SER A 30 14.469 3.115 -3.459 1.00 71.55 C ATOM 464 C SER A 30 15.677 3.609 -2.670 1.00 11.33 C ATOM 465 O SER A 30 15.931 3.157 -1.553 1.00 61.44 O ATOM 466 CB SER A 30 13.291 4.072 -3.265 1.00 23.51 C ATOM 467 OG SER A 30 12.111 3.554 -3.855 1.00 1.43 O ATOM 0 H SER A 30 13.917 1.662 -2.052 1.00 12.25 H new ATOM 0 HA SER A 30 14.734 3.088 -4.516 1.00 71.55 H new ATOM 0 HB2 SER A 30 13.126 4.240 -2.201 1.00 23.51 H new ATOM 0 HB3 SER A 30 13.528 5.040 -3.707 1.00 23.51 H new ATOM 0 HG SER A 30 11.372 4.183 -3.716 1.00 1.43 H new ATOM 473 N VAL A 31 16.419 4.542 -3.258 1.00 11.21 N ATOM 474 CA VAL A 31 17.600 5.100 -2.610 1.00 51.54 C ATOM 475 C VAL A 31 17.271 6.409 -1.900 1.00 73.25 C ATOM 476 O VAL A 31 17.166 7.460 -2.533 1.00 13.33 O ATOM 477 CB VAL A 31 18.731 5.350 -3.625 1.00 42.43 C ATOM 478 CG1 VAL A 31 20.014 5.745 -2.909 1.00 53.31 C ATOM 479 CG2 VAL A 31 18.952 4.119 -4.491 1.00 33.13 C ATOM 0 H VAL A 31 16.223 4.927 -4.182 1.00 11.21 H new ATOM 0 HA VAL A 31 17.935 4.367 -1.877 1.00 51.54 H new ATOM 0 HB VAL A 31 18.437 6.175 -4.274 1.00 42.43 H new ATOM 0 HG11 VAL A 31 20.802 5.917 -3.642 1.00 53.31 H new ATOM 0 HG12 VAL A 31 19.845 6.657 -2.337 1.00 53.31 H new ATOM 0 HG13 VAL A 31 20.316 4.944 -2.234 1.00 53.31 H new ATOM 0 HG21 VAL A 31 19.755 4.314 -5.202 1.00 33.13 H new ATOM 0 HG22 VAL A 31 19.224 3.274 -3.859 1.00 33.13 H new ATOM 0 HG23 VAL A 31 18.035 3.886 -5.033 1.00 33.13 H new ATOM 489 N ILE A 32 17.109 6.337 -0.584 1.00 23.34 N ATOM 490 CA ILE A 32 16.794 7.516 0.213 1.00 54.14 C ATOM 491 C ILE A 32 18.023 8.398 0.400 1.00 42.32 C ATOM 492 O ILE A 32 18.904 8.092 1.203 1.00 22.41 O ATOM 493 CB ILE A 32 16.238 7.129 1.596 1.00 52.21 C ATOM 494 CG1 ILE A 32 14.896 6.409 1.447 1.00 22.43 C ATOM 495 CG2 ILE A 32 16.087 8.365 2.471 1.00 65.23 C ATOM 496 CD1 ILE A 32 14.570 5.494 2.607 1.00 62.51 C ATOM 0 H ILE A 32 17.191 5.474 -0.046 1.00 23.34 H new ATOM 0 HA ILE A 32 16.032 8.071 -0.333 1.00 54.14 H new ATOM 0 HB ILE A 32 16.942 6.450 2.077 1.00 52.21 H new ATOM 0 HG12 ILE A 32 14.104 7.151 1.346 1.00 22.43 H new ATOM 0 HG13 ILE A 32 14.906 5.826 0.526 1.00 22.43 H new ATOM 0 HG21 ILE A 32 15.693 8.075 3.445 1.00 65.23 H new ATOM 0 HG22 ILE A 32 17.059 8.841 2.600 1.00 65.23 H new ATOM 0 HG23 ILE A 32 15.400 9.066 1.996 1.00 65.23 H new ATOM 0 HD11 ILE A 32 13.605 5.017 2.434 1.00 62.51 H new ATOM 0 HD12 ILE A 32 15.342 4.730 2.696 1.00 62.51 H new ATOM 0 HD13 ILE A 32 14.528 6.075 3.528 1.00 62.51 H new ATOM 508 N VAL A 33 18.075 9.497 -0.346 1.00 45.22 N ATOM 509 CA VAL A 33 19.196 10.427 -0.261 1.00 34.32 C ATOM 510 C VAL A 33 18.723 11.822 0.132 1.00 42.04 C ATOM 511 O VAL A 33 17.817 12.379 -0.488 1.00 12.42 O ATOM 512 CB VAL A 33 19.958 10.511 -1.597 1.00 13.44 C ATOM 513 CG1 VAL A 33 21.247 11.300 -1.427 1.00 3.03 C ATOM 514 CG2 VAL A 33 20.242 9.118 -2.136 1.00 44.04 C ATOM 0 H VAL A 33 17.354 9.765 -1.016 1.00 45.22 H new ATOM 0 HA VAL A 33 19.868 10.045 0.507 1.00 34.32 H new ATOM 0 HB VAL A 33 19.333 11.034 -2.320 1.00 13.44 H new ATOM 0 HG11 VAL A 33 21.772 11.349 -2.381 1.00 3.03 H new ATOM 0 HG12 VAL A 33 21.014 12.310 -1.089 1.00 3.03 H new ATOM 0 HG13 VAL A 33 21.880 10.808 -0.689 1.00 3.03 H new ATOM 0 HG21 VAL A 33 20.781 9.196 -3.080 1.00 44.04 H new ATOM 0 HG22 VAL A 33 20.848 8.566 -1.417 1.00 44.04 H new ATOM 0 HG23 VAL A 33 19.301 8.592 -2.298 1.00 44.04 H new ATOM 524 N PHE A 34 19.344 12.382 1.165 1.00 52.03 N ATOM 525 CA PHE A 34 18.987 13.713 1.641 1.00 13.20 C ATOM 526 C PHE A 34 20.113 14.707 1.373 1.00 1.10 C ATOM 527 O PHE A 34 21.240 14.526 1.835 1.00 64.23 O ATOM 528 CB PHE A 34 18.671 13.675 3.138 1.00 75.24 C ATOM 529 CG PHE A 34 19.233 12.471 3.838 1.00 3.44 C ATOM 530 CD1 PHE A 34 20.451 12.542 4.496 1.00 50.54 C ATOM 531 CD2 PHE A 34 18.545 11.269 3.839 1.00 32.05 C ATOM 532 CE1 PHE A 34 20.972 11.437 5.142 1.00 54.11 C ATOM 533 CE2 PHE A 34 19.060 10.161 4.484 1.00 22.53 C ATOM 534 CZ PHE A 34 20.276 10.244 5.135 1.00 14.32 C ATOM 0 H PHE A 34 20.097 11.935 1.688 1.00 52.03 H new ATOM 0 HA PHE A 34 18.100 14.040 1.098 1.00 13.20 H new ATOM 0 HB2 PHE A 34 19.066 14.576 3.608 1.00 75.24 H new ATOM 0 HB3 PHE A 34 17.590 13.693 3.274 1.00 75.24 H new ATOM 0 HD1 PHE A 34 21.000 13.472 4.504 1.00 50.54 H new ATOM 0 HD2 PHE A 34 17.595 11.197 3.330 1.00 32.05 H new ATOM 0 HE1 PHE A 34 21.922 11.506 5.651 1.00 54.11 H new ATOM 0 HE2 PHE A 34 18.512 9.230 4.479 1.00 22.53 H new ATOM 0 HZ PHE A 34 20.681 9.378 5.637 1.00 14.32 H new ATOM 544 N THR A 35 19.800 15.759 0.623 1.00 62.04 N ATOM 545 CA THR A 35 20.785 16.781 0.291 1.00 53.12 C ATOM 546 C THR A 35 20.112 18.117 -0.003 1.00 4.34 C ATOM 547 O THR A 35 18.995 18.162 -0.519 1.00 22.43 O ATOM 548 CB THR A 35 21.634 16.369 -0.926 1.00 64.30 C ATOM 549 OG1 THR A 35 22.662 17.339 -1.158 1.00 33.03 O ATOM 550 CG2 THR A 35 20.769 16.233 -2.169 1.00 73.45 C ATOM 0 H THR A 35 18.872 15.926 0.234 1.00 62.04 H new ATOM 0 HA THR A 35 21.435 16.887 1.159 1.00 53.12 H new ATOM 0 HB THR A 35 22.089 15.402 -0.712 1.00 64.30 H new ATOM 0 HG1 THR A 35 23.198 17.069 -1.932 1.00 33.03 H new ATOM 0 HG21 THR A 35 21.391 15.941 -3.015 1.00 73.45 H new ATOM 0 HG22 THR A 35 20.006 15.473 -2.000 1.00 73.45 H new ATOM 0 HG23 THR A 35 20.288 17.187 -2.384 1.00 73.45 H new ATOM 558 N HIS A 36 20.800 19.206 0.329 1.00 72.23 N ATOM 559 CA HIS A 36 20.269 20.545 0.099 1.00 33.31 C ATOM 560 C HIS A 36 19.829 20.713 -1.352 1.00 41.31 C ATOM 561 O HIS A 36 20.408 20.136 -2.273 1.00 31.24 O ATOM 562 CB HIS A 36 21.317 21.600 0.452 1.00 25.23 C ATOM 563 CG HIS A 36 21.736 21.571 1.890 1.00 32.31 C ATOM 564 ND1 HIS A 36 21.245 22.447 2.835 1.00 41.34 N ATOM 565 CD2 HIS A 36 22.603 20.762 2.544 1.00 51.54 C ATOM 566 CE1 HIS A 36 21.794 22.181 4.006 1.00 35.25 C ATOM 567 NE2 HIS A 36 22.621 21.162 3.857 1.00 1.22 N ATOM 0 H HIS A 36 21.725 19.187 0.758 1.00 72.23 H new ATOM 0 HA HIS A 36 19.399 20.679 0.742 1.00 33.31 H new ATOM 0 HB2 HIS A 36 22.195 21.452 -0.177 1.00 25.23 H new ATOM 0 HB3 HIS A 36 20.920 22.588 0.218 1.00 25.23 H new ATOM 0 HD2 HIS A 36 23.174 19.953 2.113 1.00 51.54 H new ATOM 0 HE1 HIS A 36 21.600 22.707 4.929 1.00 35.25 H new ATOM 0 HE2 HIS A 36 23.182 20.741 4.597 1.00 1.22 H new ATOM 575 N PRO A 37 18.780 21.523 -1.563 1.00 64.52 N ATOM 576 CA PRO A 37 18.240 21.785 -2.900 1.00 51.43 C ATOM 577 C PRO A 37 19.185 22.626 -3.753 1.00 33.34 C ATOM 578 O PRO A 37 19.463 22.289 -4.904 1.00 21.25 O ATOM 579 CB PRO A 37 16.948 22.556 -2.615 1.00 44.15 C ATOM 580 CG PRO A 37 17.173 23.195 -1.289 1.00 22.15 C ATOM 581 CD PRO A 37 18.042 22.244 -0.513 1.00 20.31 C ATOM 0 HA PRO A 37 18.089 20.866 -3.466 1.00 51.43 H new ATOM 0 HB2 PRO A 37 16.754 23.302 -3.386 1.00 44.15 H new ATOM 0 HB3 PRO A 37 16.086 21.889 -2.592 1.00 44.15 H new ATOM 0 HG2 PRO A 37 17.658 24.165 -1.400 1.00 22.15 H new ATOM 0 HG3 PRO A 37 16.228 23.369 -0.774 1.00 22.15 H new ATOM 0 HD2 PRO A 37 18.716 22.774 0.160 1.00 20.31 H new ATOM 0 HD3 PRO A 37 17.448 21.565 0.099 1.00 20.31 H new ATOM 589 N ASP A 38 19.675 23.720 -3.180 1.00 60.35 N ATOM 590 CA ASP A 38 20.590 24.608 -3.888 1.00 25.33 C ATOM 591 C ASP A 38 21.966 24.606 -3.229 1.00 45.11 C ATOM 592 O ASP A 38 22.302 25.513 -2.467 1.00 61.04 O ATOM 593 CB ASP A 38 20.030 26.030 -3.923 1.00 12.32 C ATOM 594 CG ASP A 38 21.020 27.029 -4.490 1.00 34.13 C ATOM 595 OD1 ASP A 38 21.173 27.075 -5.728 1.00 64.54 O ATOM 596 OD2 ASP A 38 21.640 27.765 -3.695 1.00 11.32 O ATOM 0 H ASP A 38 19.454 24.013 -2.228 1.00 60.35 H new ATOM 0 HA ASP A 38 20.695 24.243 -4.910 1.00 25.33 H new ATOM 0 HB2 ASP A 38 19.120 26.044 -4.523 1.00 12.32 H new ATOM 0 HB3 ASP A 38 19.751 26.332 -2.914 1.00 12.32 H new ATOM 601 N SER A 39 22.758 23.581 -3.527 1.00 44.12 N ATOM 602 CA SER A 39 24.096 23.459 -2.960 1.00 63.33 C ATOM 603 C SER A 39 25.145 23.346 -4.063 1.00 2.45 C ATOM 604 O SER A 39 25.094 22.441 -4.895 1.00 61.20 O ATOM 605 CB SER A 39 24.174 22.239 -2.041 1.00 31.53 C ATOM 606 OG SER A 39 25.517 21.941 -1.701 1.00 31.34 O ATOM 0 H SER A 39 22.496 22.823 -4.158 1.00 44.12 H new ATOM 0 HA SER A 39 24.300 24.358 -2.378 1.00 63.33 H new ATOM 0 HB2 SER A 39 23.599 22.426 -1.134 1.00 31.53 H new ATOM 0 HB3 SER A 39 23.721 21.379 -2.534 1.00 31.53 H new ATOM 0 HG SER A 39 25.566 21.681 -0.757 1.00 31.34 H new ATOM 612 N LYS A 40 26.097 24.274 -4.062 1.00 32.34 N ATOM 613 CA LYS A 40 27.160 24.281 -5.059 1.00 60.33 C ATOM 614 C LYS A 40 28.252 23.279 -4.698 1.00 31.31 C ATOM 615 O LYS A 40 28.632 22.440 -5.515 1.00 22.55 O ATOM 616 CB LYS A 40 27.761 25.683 -5.185 1.00 32.45 C ATOM 617 CG LYS A 40 28.769 25.814 -6.313 1.00 23.42 C ATOM 618 CD LYS A 40 29.482 27.155 -6.271 1.00 31.12 C ATOM 619 CE LYS A 40 30.898 27.051 -6.816 1.00 21.02 C ATOM 620 NZ LYS A 40 31.767 28.153 -6.317 1.00 32.23 N ATOM 0 H LYS A 40 26.153 25.031 -3.381 1.00 32.34 H new ATOM 0 HA LYS A 40 26.727 23.991 -6.016 1.00 60.33 H new ATOM 0 HB2 LYS A 40 26.956 26.401 -5.343 1.00 32.45 H new ATOM 0 HB3 LYS A 40 28.244 25.948 -4.245 1.00 32.45 H new ATOM 0 HG2 LYS A 40 29.501 25.009 -6.243 1.00 23.42 H new ATOM 0 HG3 LYS A 40 28.261 25.701 -7.271 1.00 23.42 H new ATOM 0 HD2 LYS A 40 28.920 27.885 -6.853 1.00 31.12 H new ATOM 0 HD3 LYS A 40 29.512 27.520 -5.244 1.00 31.12 H new ATOM 0 HE2 LYS A 40 31.328 26.091 -6.529 1.00 21.02 H new ATOM 0 HE3 LYS A 40 30.871 27.075 -7.905 1.00 21.02 H new ATOM 0 HZ1 LYS A 40 32.724 28.046 -6.711 1.00 32.23 H new ATOM 0 HZ2 LYS A 40 31.371 29.068 -6.612 1.00 32.23 H new ATOM 0 HZ3 LYS A 40 31.814 28.115 -5.279 1.00 32.23 H new ATOM 634 N ARG A 41 28.751 23.371 -3.470 1.00 12.44 N ATOM 635 CA ARG A 41 29.799 22.473 -3.001 1.00 34.43 C ATOM 636 C ARG A 41 29.304 21.029 -2.973 1.00 45.21 C ATOM 637 O ARG A 41 30.076 20.094 -3.188 1.00 11.32 O ATOM 638 CB ARG A 41 30.270 22.888 -1.606 1.00 42.31 C ATOM 639 CG ARG A 41 31.286 24.019 -1.619 1.00 23.45 C ATOM 640 CD ARG A 41 32.711 23.487 -1.630 1.00 31.11 C ATOM 641 NE ARG A 41 33.237 23.360 -2.986 1.00 42.53 N ATOM 642 CZ ARG A 41 33.705 24.385 -3.692 1.00 35.54 C ATOM 643 NH1 ARG A 41 33.711 25.604 -3.171 1.00 43.04 N ATOM 644 NH2 ARG A 41 34.167 24.190 -4.920 1.00 71.40 N ATOM 0 H ARG A 41 28.446 24.059 -2.781 1.00 12.44 H new ATOM 0 HA ARG A 41 30.637 22.540 -3.695 1.00 34.43 H new ATOM 0 HB2 ARG A 41 29.406 23.193 -1.016 1.00 42.31 H new ATOM 0 HB3 ARG A 41 30.707 22.023 -1.107 1.00 42.31 H new ATOM 0 HG2 ARG A 41 31.124 24.646 -2.496 1.00 23.45 H new ATOM 0 HG3 ARG A 41 31.139 24.652 -0.744 1.00 23.45 H new ATOM 0 HD2 ARG A 41 33.352 24.155 -1.054 1.00 31.11 H new ATOM 0 HD3 ARG A 41 32.739 22.515 -1.138 1.00 31.11 H new ATOM 0 HE ARG A 41 33.246 22.435 -3.415 1.00 42.53 H new ATOM 0 HH11 ARG A 41 33.356 25.757 -2.227 1.00 43.04 H new ATOM 0 HH12 ARG A 41 34.070 26.389 -3.714 1.00 43.04 H new ATOM 0 HH21 ARG A 41 34.163 23.253 -5.323 1.00 71.40 H new ATOM 0 HH22 ARG A 41 34.526 24.977 -5.461 1.00 71.40 H new ATOM 658 N SER A 42 28.014 20.856 -2.707 1.00 32.12 N ATOM 659 CA SER A 42 27.417 19.527 -2.647 1.00 24.44 C ATOM 660 C SER A 42 26.432 19.321 -3.793 1.00 62.32 C ATOM 661 O SER A 42 26.316 20.160 -4.686 1.00 52.41 O ATOM 662 CB SER A 42 26.708 19.323 -1.307 1.00 12.14 C ATOM 663 OG SER A 42 27.342 20.061 -0.276 1.00 63.43 O ATOM 0 H SER A 42 27.362 21.620 -2.529 1.00 32.12 H new ATOM 0 HA SER A 42 28.217 18.792 -2.742 1.00 24.44 H new ATOM 0 HB2 SER A 42 25.666 19.633 -1.392 1.00 12.14 H new ATOM 0 HB3 SER A 42 26.705 18.263 -1.051 1.00 12.14 H new ATOM 0 HG SER A 42 26.869 19.915 0.570 1.00 63.43 H new ATOM 669 N LYS A 43 25.724 18.197 -3.762 1.00 22.22 N ATOM 670 CA LYS A 43 24.747 17.878 -4.796 1.00 42.32 C ATOM 671 C LYS A 43 25.424 17.723 -6.154 1.00 71.43 C ATOM 672 O LYS A 43 24.764 17.748 -7.193 1.00 20.24 O ATOM 673 CB LYS A 43 23.677 18.970 -4.870 1.00 4.22 C ATOM 674 CG LYS A 43 22.286 18.484 -4.502 1.00 2.44 C ATOM 675 CD LYS A 43 21.210 19.404 -5.054 1.00 1.35 C ATOM 676 CE LYS A 43 20.892 19.082 -6.505 1.00 71.45 C ATOM 677 NZ LYS A 43 20.389 20.274 -7.241 1.00 54.43 N ATOM 0 H LYS A 43 25.809 17.491 -3.031 1.00 22.22 H new ATOM 0 HA LYS A 43 24.274 16.931 -4.535 1.00 42.32 H new ATOM 0 HB2 LYS A 43 23.956 19.786 -4.203 1.00 4.22 H new ATOM 0 HB3 LYS A 43 23.655 19.377 -5.881 1.00 4.22 H new ATOM 0 HG2 LYS A 43 22.138 17.476 -4.889 1.00 2.44 H new ATOM 0 HG3 LYS A 43 22.195 18.426 -3.417 1.00 2.44 H new ATOM 0 HD2 LYS A 43 20.306 19.310 -4.453 1.00 1.35 H new ATOM 0 HD3 LYS A 43 21.539 20.440 -4.974 1.00 1.35 H new ATOM 0 HE2 LYS A 43 21.787 18.703 -6.997 1.00 71.45 H new ATOM 0 HE3 LYS A 43 20.146 18.289 -6.546 1.00 71.45 H new ATOM 0 HZ1 LYS A 43 19.592 19.996 -7.848 1.00 54.43 H new ATOM 0 HZ2 LYS A 43 20.072 20.994 -6.561 1.00 54.43 H new ATOM 0 HZ3 LYS A 43 21.152 20.666 -7.829 1.00 54.43 H new ATOM 691 N GLU A 44 26.743 17.560 -6.138 1.00 43.31 N ATOM 692 CA GLU A 44 27.508 17.400 -7.369 1.00 73.24 C ATOM 693 C GLU A 44 27.467 15.952 -7.850 1.00 41.01 C ATOM 694 O GLU A 44 27.381 15.688 -9.050 1.00 21.33 O ATOM 695 CB GLU A 44 28.958 17.837 -7.156 1.00 3.30 C ATOM 696 CG GLU A 44 29.128 19.342 -7.027 1.00 34.31 C ATOM 697 CD GLU A 44 29.468 20.006 -8.347 1.00 21.11 C ATOM 698 OE1 GLU A 44 30.630 20.434 -8.513 1.00 14.04 O ATOM 699 OE2 GLU A 44 28.574 20.098 -9.214 1.00 30.25 O ATOM 0 H GLU A 44 27.304 17.535 -5.286 1.00 43.31 H new ATOM 0 HA GLU A 44 27.055 18.032 -8.133 1.00 73.24 H new ATOM 0 HB2 GLU A 44 29.345 17.358 -6.257 1.00 3.30 H new ATOM 0 HB3 GLU A 44 29.562 17.482 -7.991 1.00 3.30 H new ATOM 0 HG2 GLU A 44 28.209 19.775 -6.633 1.00 34.31 H new ATOM 0 HG3 GLU A 44 29.916 19.554 -6.304 1.00 34.31 H new ATOM 706 N ILE A 45 27.530 15.019 -6.906 1.00 2.41 N ATOM 707 CA ILE A 45 27.500 13.599 -7.233 1.00 2.15 C ATOM 708 C ILE A 45 26.159 13.203 -7.840 1.00 50.14 C ATOM 709 O ILE A 45 26.020 12.125 -8.418 1.00 65.23 O ATOM 710 CB ILE A 45 27.764 12.730 -5.989 1.00 22.20 C ATOM 711 CG1 ILE A 45 26.753 13.056 -4.888 1.00 31.40 C ATOM 712 CG2 ILE A 45 29.186 12.939 -5.489 1.00 33.23 C ATOM 713 CD1 ILE A 45 25.457 12.285 -5.011 1.00 20.04 C ATOM 0 H ILE A 45 27.602 15.221 -5.909 1.00 2.41 H new ATOM 0 HA ILE A 45 28.291 13.426 -7.962 1.00 2.15 H new ATOM 0 HB ILE A 45 27.647 11.682 -6.265 1.00 22.20 H new ATOM 0 HG12 ILE A 45 27.203 12.843 -3.918 1.00 31.40 H new ATOM 0 HG13 ILE A 45 26.535 14.124 -4.911 1.00 31.40 H new ATOM 0 HG21 ILE A 45 29.357 12.318 -4.610 1.00 33.23 H new ATOM 0 HG22 ILE A 45 29.892 12.661 -6.272 1.00 33.23 H new ATOM 0 HG23 ILE A 45 29.329 13.987 -5.227 1.00 33.23 H new ATOM 0 HD11 ILE A 45 24.788 12.566 -4.198 1.00 20.04 H new ATOM 0 HD12 ILE A 45 24.985 12.517 -5.966 1.00 20.04 H new ATOM 0 HD13 ILE A 45 25.663 11.216 -4.958 1.00 20.04 H new ATOM 725 N LYS A 46 25.173 14.083 -7.708 1.00 14.42 N ATOM 726 CA LYS A 46 23.842 13.829 -8.246 1.00 73.22 C ATOM 727 C LYS A 46 23.918 13.407 -9.710 1.00 45.31 C ATOM 728 O LYS A 46 23.323 12.407 -10.109 1.00 1.02 O ATOM 729 CB LYS A 46 22.966 15.077 -8.109 1.00 23.50 C ATOM 730 CG LYS A 46 22.645 15.439 -6.669 1.00 73.44 C ATOM 731 CD LYS A 46 21.706 14.425 -6.036 1.00 5.23 C ATOM 732 CE LYS A 46 22.016 14.225 -4.560 1.00 43.31 C ATOM 733 NZ LYS A 46 22.496 12.844 -4.276 1.00 44.52 N ATOM 0 H LYS A 46 25.271 14.980 -7.232 1.00 14.42 H new ATOM 0 HA LYS A 46 23.396 13.015 -7.674 1.00 73.22 H new ATOM 0 HB2 LYS A 46 23.471 15.919 -8.583 1.00 23.50 H new ATOM 0 HB3 LYS A 46 22.034 14.918 -8.651 1.00 23.50 H new ATOM 0 HG2 LYS A 46 23.568 15.492 -6.092 1.00 73.44 H new ATOM 0 HG3 LYS A 46 22.190 16.429 -6.634 1.00 73.44 H new ATOM 0 HD2 LYS A 46 20.675 14.761 -6.150 1.00 5.23 H new ATOM 0 HD3 LYS A 46 21.791 13.473 -6.559 1.00 5.23 H new ATOM 0 HE2 LYS A 46 22.773 14.944 -4.247 1.00 43.31 H new ATOM 0 HE3 LYS A 46 21.122 14.427 -3.970 1.00 43.31 H new ATOM 0 HZ1 LYS A 46 23.133 12.860 -3.454 1.00 44.52 H new ATOM 0 HZ2 LYS A 46 21.683 12.229 -4.072 1.00 44.52 H new ATOM 0 HZ3 LYS A 46 23.008 12.477 -5.104 1.00 44.52 H new ATOM 747 N GLU A 47 24.656 14.176 -10.505 1.00 4.21 N ATOM 748 CA GLU A 47 24.811 13.881 -11.924 1.00 74.44 C ATOM 749 C GLU A 47 25.384 12.481 -12.130 1.00 10.44 C ATOM 750 O GLU A 47 25.000 11.770 -13.058 1.00 52.23 O ATOM 751 CB GLU A 47 25.718 14.918 -12.588 1.00 43.05 C ATOM 752 CG GLU A 47 25.792 14.784 -14.100 1.00 71.32 C ATOM 753 CD GLU A 47 26.481 15.964 -14.758 1.00 34.31 C ATOM 754 OE1 GLU A 47 26.839 15.852 -15.949 1.00 52.22 O ATOM 755 OE2 GLU A 47 26.662 16.998 -14.082 1.00 74.11 O ATOM 0 H GLU A 47 25.156 15.008 -10.190 1.00 4.21 H new ATOM 0 HA GLU A 47 23.825 13.923 -12.387 1.00 74.44 H new ATOM 0 HB2 GLU A 47 25.359 15.916 -12.337 1.00 43.05 H new ATOM 0 HB3 GLU A 47 26.722 14.828 -12.174 1.00 43.05 H new ATOM 0 HG2 GLU A 47 26.326 13.868 -14.354 1.00 71.32 H new ATOM 0 HG3 GLU A 47 24.784 14.687 -14.502 1.00 71.32 H new ATOM 762 N LYS A 48 26.307 12.093 -11.256 1.00 73.41 N ATOM 763 CA LYS A 48 26.934 10.779 -11.339 1.00 1.12 C ATOM 764 C LYS A 48 25.922 9.674 -11.055 1.00 30.21 C ATOM 765 O LYS A 48 25.990 8.591 -11.638 1.00 22.22 O ATOM 766 CB LYS A 48 28.099 10.684 -10.351 1.00 1.50 C ATOM 767 CG LYS A 48 28.990 11.914 -10.342 1.00 3.30 C ATOM 768 CD LYS A 48 30.250 11.684 -9.524 1.00 63.05 C ATOM 769 CE LYS A 48 31.443 11.371 -10.415 1.00 30.11 C ATOM 770 NZ LYS A 48 32.394 12.515 -10.491 1.00 75.33 N ATOM 0 H LYS A 48 26.637 12.670 -10.482 1.00 73.41 H new ATOM 0 HA LYS A 48 27.313 10.648 -12.353 1.00 1.12 H new ATOM 0 HB2 LYS A 48 27.702 10.526 -9.348 1.00 1.50 H new ATOM 0 HB3 LYS A 48 28.702 9.810 -10.597 1.00 1.50 H new ATOM 0 HG2 LYS A 48 29.262 12.175 -11.365 1.00 3.30 H new ATOM 0 HG3 LYS A 48 28.439 12.761 -9.933 1.00 3.30 H new ATOM 0 HD2 LYS A 48 30.464 12.570 -8.926 1.00 63.05 H new ATOM 0 HD3 LYS A 48 30.088 10.861 -8.828 1.00 63.05 H new ATOM 0 HE2 LYS A 48 31.962 10.492 -10.032 1.00 30.11 H new ATOM 0 HE3 LYS A 48 31.093 11.123 -11.417 1.00 30.11 H new ATOM 0 HZ1 LYS A 48 33.193 12.262 -11.107 1.00 75.33 H new ATOM 0 HZ2 LYS A 48 31.906 13.347 -10.880 1.00 75.33 H new ATOM 0 HZ3 LYS A 48 32.748 12.736 -9.538 1.00 75.33 H new ATOM 784 N LEU A 49 24.983 9.954 -10.158 1.00 22.12 N ATOM 785 CA LEU A 49 23.955 8.983 -9.798 1.00 1.53 C ATOM 786 C LEU A 49 22.870 8.918 -10.868 1.00 31.44 C ATOM 787 O LEU A 49 22.296 7.858 -11.121 1.00 13.32 O ATOM 788 CB LEU A 49 23.335 9.346 -8.447 1.00 74.23 C ATOM 789 CG LEU A 49 22.480 8.262 -7.789 1.00 24.12 C ATOM 790 CD1 LEU A 49 23.349 7.098 -7.338 1.00 3.13 C ATOM 791 CD2 LEU A 49 21.703 8.836 -6.613 1.00 50.35 C ATOM 0 H LEU A 49 24.912 10.845 -9.667 1.00 22.12 H new ATOM 0 HA LEU A 49 24.425 8.002 -9.724 1.00 1.53 H new ATOM 0 HB2 LEU A 49 24.139 9.613 -7.761 1.00 74.23 H new ATOM 0 HB3 LEU A 49 22.720 10.236 -8.579 1.00 74.23 H new ATOM 0 HG LEU A 49 21.766 7.893 -8.525 1.00 24.12 H new ATOM 0 HD11 LEU A 49 22.724 6.336 -6.872 1.00 3.13 H new ATOM 0 HD12 LEU A 49 23.860 6.670 -8.200 1.00 3.13 H new ATOM 0 HD13 LEU A 49 24.087 7.452 -6.618 1.00 3.13 H new ATOM 0 HD21 LEU A 49 21.100 8.051 -6.157 1.00 50.35 H new ATOM 0 HD22 LEU A 49 22.400 9.233 -5.875 1.00 50.35 H new ATOM 0 HD23 LEU A 49 21.051 9.636 -6.963 1.00 50.35 H new ATOM 803 N LYS A 50 22.595 10.056 -11.495 1.00 12.23 N ATOM 804 CA LYS A 50 21.581 10.129 -12.540 1.00 63.34 C ATOM 805 C LYS A 50 21.978 9.278 -13.743 1.00 20.14 C ATOM 806 O LYS A 50 21.144 8.592 -14.333 1.00 73.33 O ATOM 807 CB LYS A 50 21.372 11.581 -12.977 1.00 31.44 C ATOM 808 CG LYS A 50 20.445 12.363 -12.062 1.00 62.21 C ATOM 809 CD LYS A 50 20.046 13.693 -12.678 1.00 41.23 C ATOM 810 CE LYS A 50 20.886 14.836 -12.129 1.00 11.22 C ATOM 811 NZ LYS A 50 20.254 16.161 -12.383 1.00 64.42 N ATOM 0 H LYS A 50 23.061 10.942 -11.297 1.00 12.23 H new ATOM 0 HA LYS A 50 20.647 9.740 -12.133 1.00 63.34 H new ATOM 0 HB2 LYS A 50 22.339 12.083 -13.016 1.00 31.44 H new ATOM 0 HB3 LYS A 50 20.966 11.593 -13.988 1.00 31.44 H new ATOM 0 HG2 LYS A 50 19.552 11.773 -11.857 1.00 62.21 H new ATOM 0 HG3 LYS A 50 20.938 12.537 -11.106 1.00 62.21 H new ATOM 0 HD2 LYS A 50 20.161 13.643 -13.761 1.00 41.23 H new ATOM 0 HD3 LYS A 50 18.992 13.886 -12.478 1.00 41.23 H new ATOM 0 HE2 LYS A 50 21.027 14.701 -11.057 1.00 11.22 H new ATOM 0 HE3 LYS A 50 21.875 14.812 -12.586 1.00 11.22 H new ATOM 0 HZ1 LYS A 50 20.857 16.914 -11.994 1.00 64.42 H new ATOM 0 HZ2 LYS A 50 20.142 16.302 -13.407 1.00 64.42 H new ATOM 0 HZ3 LYS A 50 19.321 16.194 -11.925 1.00 64.42 H new ATOM 825 N LYS A 51 23.257 9.326 -14.099 1.00 50.05 N ATOM 826 CA LYS A 51 23.766 8.558 -15.229 1.00 70.24 C ATOM 827 C LYS A 51 23.747 7.063 -14.924 1.00 40.51 C ATOM 828 O LYS A 51 23.550 6.239 -15.818 1.00 40.21 O ATOM 829 CB LYS A 51 25.190 9.001 -15.574 1.00 32.23 C ATOM 830 CG LYS A 51 25.465 9.056 -17.066 1.00 65.34 C ATOM 831 CD LYS A 51 26.953 9.175 -17.355 1.00 14.42 C ATOM 832 CE LYS A 51 27.603 7.809 -17.507 1.00 34.33 C ATOM 833 NZ LYS A 51 28.886 7.719 -16.757 1.00 61.50 N ATOM 0 H LYS A 51 23.960 9.889 -13.621 1.00 50.05 H new ATOM 0 HA LYS A 51 23.117 8.745 -16.084 1.00 70.24 H new ATOM 0 HB2 LYS A 51 25.369 9.986 -15.143 1.00 32.23 H new ATOM 0 HB3 LYS A 51 25.898 8.316 -15.108 1.00 32.23 H new ATOM 0 HG2 LYS A 51 25.071 8.158 -17.543 1.00 65.34 H new ATOM 0 HG3 LYS A 51 24.940 9.905 -17.503 1.00 65.34 H new ATOM 0 HD2 LYS A 51 27.102 9.753 -18.267 1.00 14.42 H new ATOM 0 HD3 LYS A 51 27.439 9.722 -16.547 1.00 14.42 H new ATOM 0 HE2 LYS A 51 26.919 7.039 -17.150 1.00 34.33 H new ATOM 0 HE3 LYS A 51 27.785 7.609 -18.563 1.00 34.33 H new ATOM 0 HZ1 LYS A 51 29.298 6.773 -16.886 1.00 61.50 H new ATOM 0 HZ2 LYS A 51 29.548 8.437 -17.115 1.00 61.50 H new ATOM 0 HZ3 LYS A 51 28.709 7.885 -15.746 1.00 61.50 H new ATOM 847 N LEU A 52 23.951 6.721 -13.657 1.00 64.41 N ATOM 848 CA LEU A 52 23.956 5.325 -13.233 1.00 61.45 C ATOM 849 C LEU A 52 22.668 4.624 -13.654 1.00 64.41 C ATOM 850 O LEU A 52 22.637 3.403 -13.812 1.00 3.55 O ATOM 851 CB LEU A 52 24.128 5.232 -11.716 1.00 45.23 C ATOM 852 CG LEU A 52 24.033 3.830 -11.114 1.00 74.12 C ATOM 853 CD1 LEU A 52 25.004 3.680 -9.954 1.00 21.32 C ATOM 854 CD2 LEU A 52 22.609 3.540 -10.661 1.00 50.32 C ATOM 0 H LEU A 52 24.115 7.391 -12.905 1.00 64.41 H new ATOM 0 HA LEU A 52 24.795 4.827 -13.718 1.00 61.45 H new ATOM 0 HB2 LEU A 52 25.099 5.653 -11.454 1.00 45.23 H new ATOM 0 HB3 LEU A 52 23.371 5.860 -11.246 1.00 45.23 H new ATOM 0 HG LEU A 52 24.303 3.106 -11.883 1.00 74.12 H new ATOM 0 HD11 LEU A 52 24.922 2.676 -9.538 1.00 21.32 H new ATOM 0 HD12 LEU A 52 26.022 3.844 -10.308 1.00 21.32 H new ATOM 0 HD13 LEU A 52 24.765 4.412 -9.183 1.00 21.32 H new ATOM 0 HD21 LEU A 52 22.560 2.538 -10.235 1.00 50.32 H new ATOM 0 HD22 LEU A 52 22.311 4.269 -9.908 1.00 50.32 H new ATOM 0 HD23 LEU A 52 21.935 3.605 -11.515 1.00 50.32 H new ATOM 866 N ALA A 53 21.608 5.404 -13.836 1.00 63.04 N ATOM 867 CA ALA A 53 20.319 4.859 -14.243 1.00 62.41 C ATOM 868 C ALA A 53 20.463 3.971 -15.475 1.00 35.35 C ATOM 869 O ALA A 53 19.674 3.049 -15.681 1.00 55.53 O ATOM 870 CB ALA A 53 19.332 5.984 -14.514 1.00 14.14 C ATOM 0 H ALA A 53 21.617 6.416 -13.708 1.00 63.04 H new ATOM 0 HA ALA A 53 19.938 4.245 -13.427 1.00 62.41 H new ATOM 0 HB1 ALA A 53 18.374 5.562 -14.817 1.00 14.14 H new ATOM 0 HB2 ALA A 53 19.198 6.576 -13.609 1.00 14.14 H new ATOM 0 HB3 ALA A 53 19.716 6.621 -15.311 1.00 14.14 H new ATOM 876 N GLU A 54 21.474 4.255 -16.289 1.00 50.10 N ATOM 877 CA GLU A 54 21.718 3.482 -17.501 1.00 44.10 C ATOM 878 C GLU A 54 22.279 2.104 -17.163 1.00 63.43 C ATOM 879 O GLU A 54 21.891 1.101 -17.762 1.00 14.14 O ATOM 880 CB GLU A 54 22.687 4.228 -18.421 1.00 63.53 C ATOM 881 CG GLU A 54 23.035 3.462 -19.687 1.00 40.31 C ATOM 882 CD GLU A 54 24.322 2.672 -19.556 1.00 22.43 C ATOM 883 OE1 GLU A 54 24.244 1.449 -19.313 1.00 65.23 O ATOM 884 OE2 GLU A 54 25.407 3.275 -19.695 1.00 34.30 O ATOM 0 H GLU A 54 22.137 5.014 -16.132 1.00 50.10 H new ATOM 0 HA GLU A 54 20.767 3.351 -18.016 1.00 44.10 H new ATOM 0 HB2 GLU A 54 22.248 5.187 -18.696 1.00 63.53 H new ATOM 0 HB3 GLU A 54 23.604 4.442 -17.872 1.00 63.53 H new ATOM 0 HG2 GLU A 54 22.219 2.782 -19.931 1.00 40.31 H new ATOM 0 HG3 GLU A 54 23.126 4.162 -20.517 1.00 40.31 H new ATOM 891 N GLU A 55 23.196 2.064 -16.201 1.00 34.50 N ATOM 892 CA GLU A 55 23.811 0.809 -15.785 1.00 31.31 C ATOM 893 C GLU A 55 22.773 -0.132 -15.180 1.00 73.01 C ATOM 894 O GLU A 55 22.795 -1.339 -15.424 1.00 2.31 O ATOM 895 CB GLU A 55 24.927 1.073 -14.772 1.00 12.50 C ATOM 896 CG GLU A 55 25.138 -0.064 -13.787 1.00 75.43 C ATOM 897 CD GLU A 55 25.418 -1.387 -14.475 1.00 12.52 C ATOM 898 OE1 GLU A 55 25.784 -1.368 -15.669 1.00 1.43 O ATOM 899 OE2 GLU A 55 25.271 -2.439 -13.820 1.00 31.41 O ATOM 0 H GLU A 55 23.529 2.885 -15.696 1.00 34.50 H new ATOM 0 HA GLU A 55 24.237 0.333 -16.668 1.00 31.31 H new ATOM 0 HB2 GLU A 55 25.858 1.254 -15.309 1.00 12.50 H new ATOM 0 HB3 GLU A 55 24.696 1.983 -14.219 1.00 12.50 H new ATOM 0 HG2 GLU A 55 25.970 0.181 -13.127 1.00 75.43 H new ATOM 0 HG3 GLU A 55 24.253 -0.165 -13.159 1.00 75.43 H new ATOM 906 N PHE A 56 21.864 0.429 -14.389 1.00 51.04 N ATOM 907 CA PHE A 56 20.818 -0.359 -13.748 1.00 11.22 C ATOM 908 C PHE A 56 19.575 0.490 -13.497 1.00 33.44 C ATOM 909 O PHE A 56 19.318 0.945 -12.382 1.00 51.41 O ATOM 910 CB PHE A 56 21.326 -0.942 -12.428 1.00 3.12 C ATOM 911 CG PHE A 56 20.483 -2.070 -11.907 1.00 22.53 C ATOM 912 CD1 PHE A 56 19.975 -2.035 -10.618 1.00 72.43 C ATOM 913 CD2 PHE A 56 20.199 -3.167 -12.705 1.00 45.33 C ATOM 914 CE1 PHE A 56 19.198 -3.072 -10.136 1.00 22.12 C ATOM 915 CE2 PHE A 56 19.423 -4.206 -12.228 1.00 62.04 C ATOM 916 CZ PHE A 56 18.923 -4.159 -10.942 1.00 20.32 C ATOM 0 H PHE A 56 21.831 1.426 -14.177 1.00 51.04 H new ATOM 0 HA PHE A 56 20.550 -1.176 -14.418 1.00 11.22 H new ATOM 0 HB2 PHE A 56 22.348 -1.296 -12.566 1.00 3.12 H new ATOM 0 HB3 PHE A 56 21.361 -0.150 -11.680 1.00 3.12 H new ATOM 0 HD1 PHE A 56 20.189 -1.188 -9.983 1.00 72.43 H new ATOM 0 HD2 PHE A 56 20.589 -3.210 -13.711 1.00 45.33 H new ATOM 0 HE1 PHE A 56 18.807 -3.032 -9.130 1.00 22.12 H new ATOM 0 HE2 PHE A 56 19.208 -5.054 -12.861 1.00 62.04 H new ATOM 0 HZ PHE A 56 18.318 -4.971 -10.567 1.00 20.32 H new ATOM 926 N PRO A 57 18.784 0.708 -14.558 1.00 32.03 N ATOM 927 CA PRO A 57 17.554 1.503 -14.479 1.00 24.55 C ATOM 928 C PRO A 57 16.460 0.799 -13.684 1.00 34.12 C ATOM 929 O PRO A 57 15.413 1.382 -13.400 1.00 2.12 O ATOM 930 CB PRO A 57 17.137 1.657 -15.943 1.00 71.11 C ATOM 931 CG PRO A 57 17.739 0.483 -16.634 1.00 72.54 C ATOM 932 CD PRO A 57 19.028 0.196 -15.916 1.00 64.54 C ATOM 0 HA PRO A 57 17.713 2.451 -13.965 1.00 24.55 H new ATOM 0 HB2 PRO A 57 16.052 1.664 -16.047 1.00 71.11 H new ATOM 0 HB3 PRO A 57 17.503 2.594 -16.362 1.00 71.11 H new ATOM 0 HG2 PRO A 57 17.071 -0.377 -16.595 1.00 72.54 H new ATOM 0 HG3 PRO A 57 17.919 0.700 -17.687 1.00 72.54 H new ATOM 0 HD2 PRO A 57 19.255 -0.870 -15.909 1.00 64.54 H new ATOM 0 HD3 PRO A 57 19.872 0.698 -16.389 1.00 64.54 H new ATOM 940 N ASP A 58 16.708 -0.457 -13.328 1.00 13.55 N ATOM 941 CA ASP A 58 15.743 -1.239 -12.564 1.00 21.43 C ATOM 942 C ASP A 58 15.589 -0.684 -11.151 1.00 52.35 C ATOM 943 O ASP A 58 14.555 -0.870 -10.509 1.00 63.20 O ATOM 944 CB ASP A 58 16.177 -2.705 -12.504 1.00 13.10 C ATOM 945 CG ASP A 58 15.689 -3.402 -11.249 1.00 63.11 C ATOM 946 OD1 ASP A 58 16.303 -3.199 -10.180 1.00 42.24 O ATOM 947 OD2 ASP A 58 14.694 -4.150 -11.335 1.00 75.43 O ATOM 0 H ASP A 58 17.568 -0.955 -13.556 1.00 13.55 H new ATOM 0 HA ASP A 58 14.779 -1.173 -13.068 1.00 21.43 H new ATOM 0 HB2 ASP A 58 15.795 -3.230 -13.380 1.00 13.10 H new ATOM 0 HB3 ASP A 58 17.265 -2.761 -12.548 1.00 13.10 H new ATOM 952 N VAL A 59 16.624 -0.001 -10.673 1.00 43.22 N ATOM 953 CA VAL A 59 16.604 0.582 -9.337 1.00 41.20 C ATOM 954 C VAL A 59 15.883 1.926 -9.334 1.00 63.44 C ATOM 955 O VAL A 59 15.828 2.614 -10.353 1.00 44.25 O ATOM 956 CB VAL A 59 18.030 0.776 -8.788 1.00 31.14 C ATOM 957 CG1 VAL A 59 18.758 1.864 -9.562 1.00 74.04 C ATOM 958 CG2 VAL A 59 17.988 1.104 -7.303 1.00 3.31 C ATOM 0 H VAL A 59 17.487 0.162 -11.191 1.00 43.22 H new ATOM 0 HA VAL A 59 16.067 -0.116 -8.695 1.00 41.20 H new ATOM 0 HB VAL A 59 18.580 -0.156 -8.916 1.00 31.14 H new ATOM 0 HG11 VAL A 59 19.763 1.986 -9.159 1.00 74.04 H new ATOM 0 HG12 VAL A 59 18.820 1.583 -10.613 1.00 74.04 H new ATOM 0 HG13 VAL A 59 18.213 2.803 -9.469 1.00 74.04 H new ATOM 0 HG21 VAL A 59 19.004 1.238 -6.931 1.00 3.31 H new ATOM 0 HG22 VAL A 59 17.421 2.022 -7.149 1.00 3.31 H new ATOM 0 HG23 VAL A 59 17.509 0.287 -6.763 1.00 3.31 H new ATOM 968 N ASP A 60 15.332 2.293 -8.183 1.00 22.42 N ATOM 969 CA ASP A 60 14.615 3.555 -8.046 1.00 44.22 C ATOM 970 C ASP A 60 15.438 4.564 -7.251 1.00 21.24 C ATOM 971 O ASP A 60 16.246 4.188 -6.401 1.00 64.31 O ATOM 972 CB ASP A 60 13.265 3.329 -7.364 1.00 62.44 C ATOM 973 CG ASP A 60 12.598 4.627 -6.955 1.00 42.00 C ATOM 974 OD1 ASP A 60 13.047 5.237 -5.962 1.00 13.51 O ATOM 975 OD2 ASP A 60 11.628 5.033 -7.628 1.00 42.22 O ATOM 0 H ASP A 60 15.368 1.734 -7.331 1.00 22.42 H new ATOM 0 HA ASP A 60 14.445 3.958 -9.045 1.00 44.22 H new ATOM 0 HB2 ASP A 60 12.607 2.783 -8.040 1.00 62.44 H new ATOM 0 HB3 ASP A 60 13.407 2.703 -6.483 1.00 62.44 H new ATOM 980 N ILE A 61 15.227 5.845 -7.532 1.00 44.13 N ATOM 981 CA ILE A 61 15.949 6.907 -6.843 1.00 5.11 C ATOM 982 C ILE A 61 15.002 7.770 -6.016 1.00 74.44 C ATOM 983 O ILE A 61 13.877 8.049 -6.433 1.00 30.52 O ATOM 984 CB ILE A 61 16.711 7.806 -7.835 1.00 14.31 C ATOM 985 CG1 ILE A 61 17.626 6.962 -8.724 1.00 20.34 C ATOM 986 CG2 ILE A 61 17.514 8.859 -7.086 1.00 42.13 C ATOM 987 CD1 ILE A 61 17.372 7.148 -10.203 1.00 11.30 C ATOM 0 H ILE A 61 14.562 6.173 -8.232 1.00 44.13 H new ATOM 0 HA ILE A 61 16.666 6.422 -6.181 1.00 5.11 H new ATOM 0 HB ILE A 61 15.987 8.314 -8.472 1.00 14.31 H new ATOM 0 HG12 ILE A 61 18.664 7.215 -8.507 1.00 20.34 H new ATOM 0 HG13 ILE A 61 17.495 5.910 -8.471 1.00 20.34 H new ATOM 0 HG21 ILE A 61 18.047 9.486 -7.800 1.00 42.13 H new ATOM 0 HG22 ILE A 61 16.840 9.477 -6.493 1.00 42.13 H new ATOM 0 HG23 ILE A 61 18.231 8.369 -6.428 1.00 42.13 H new ATOM 0 HD11 ILE A 61 18.057 6.519 -10.772 1.00 11.30 H new ATOM 0 HD12 ILE A 61 16.345 6.867 -10.434 1.00 11.30 H new ATOM 0 HD13 ILE A 61 17.531 8.192 -10.471 1.00 11.30 H new ATOM 999 N TYR A 62 15.464 8.190 -4.844 1.00 52.44 N ATOM 1000 CA TYR A 62 14.657 9.021 -3.958 1.00 41.34 C ATOM 1001 C TYR A 62 15.466 10.203 -3.434 1.00 3.34 C ATOM 1002 O TYR A 62 16.453 10.027 -2.717 1.00 74.21 O ATOM 1003 CB TYR A 62 14.128 8.191 -2.788 1.00 1.13 C ATOM 1004 CG TYR A 62 13.088 8.909 -1.957 1.00 44.02 C ATOM 1005 CD1 TYR A 62 11.812 9.142 -2.456 1.00 25.22 C ATOM 1006 CD2 TYR A 62 13.382 9.355 -0.675 1.00 0.43 C ATOM 1007 CE1 TYR A 62 10.859 9.798 -1.701 1.00 24.00 C ATOM 1008 CE2 TYR A 62 12.435 10.011 0.088 1.00 51.03 C ATOM 1009 CZ TYR A 62 11.175 10.230 -0.430 1.00 2.12 C ATOM 1010 OH TYR A 62 10.229 10.884 0.326 1.00 4.10 O ATOM 0 H TYR A 62 16.393 7.969 -4.485 1.00 52.44 H new ATOM 0 HA TYR A 62 13.814 9.407 -4.531 1.00 41.34 H new ATOM 0 HB2 TYR A 62 13.698 7.267 -3.174 1.00 1.13 H new ATOM 0 HB3 TYR A 62 14.963 7.910 -2.146 1.00 1.13 H new ATOM 0 HD1 TYR A 62 11.561 8.805 -3.451 1.00 25.22 H new ATOM 0 HD2 TYR A 62 14.368 9.186 -0.267 1.00 0.43 H new ATOM 0 HE1 TYR A 62 9.872 9.972 -2.104 1.00 24.00 H new ATOM 0 HE2 TYR A 62 12.680 10.350 1.084 1.00 51.03 H new ATOM 0 HH TYR A 62 9.387 10.384 0.300 1.00 4.10 H new ATOM 1020 N LEU A 63 15.042 11.409 -3.795 1.00 11.22 N ATOM 1021 CA LEU A 63 15.725 12.623 -3.361 1.00 24.34 C ATOM 1022 C LEU A 63 14.971 13.293 -2.216 1.00 63.45 C ATOM 1023 O LEU A 63 13.750 13.177 -2.112 1.00 41.41 O ATOM 1024 CB LEU A 63 15.870 13.597 -4.531 1.00 74.11 C ATOM 1025 CG LEU A 63 17.247 13.653 -5.192 1.00 62.53 C ATOM 1026 CD1 LEU A 63 17.457 12.444 -6.092 1.00 55.41 C ATOM 1027 CD2 LEU A 63 17.408 14.943 -5.983 1.00 34.21 C ATOM 0 H LEU A 63 14.228 11.573 -4.387 1.00 11.22 H new ATOM 0 HA LEU A 63 16.716 12.344 -3.004 1.00 24.34 H new ATOM 0 HB2 LEU A 63 15.135 13.332 -5.291 1.00 74.11 H new ATOM 0 HB3 LEU A 63 15.618 14.597 -4.178 1.00 74.11 H new ATOM 0 HG LEU A 63 18.005 13.634 -4.409 1.00 62.53 H new ATOM 0 HD11 LEU A 63 18.443 12.501 -6.554 1.00 55.41 H new ATOM 0 HD12 LEU A 63 17.387 11.532 -5.499 1.00 55.41 H new ATOM 0 HD13 LEU A 63 16.692 12.431 -6.869 1.00 55.41 H new ATOM 0 HD21 LEU A 63 18.394 14.965 -6.446 1.00 34.21 H new ATOM 0 HD22 LEU A 63 16.642 14.993 -6.757 1.00 34.21 H new ATOM 0 HD23 LEU A 63 17.303 15.796 -5.313 1.00 34.21 H new ATOM 1039 N VAL A 64 15.707 13.995 -1.361 1.00 1.13 N ATOM 1040 CA VAL A 64 15.108 14.687 -0.226 1.00 32.12 C ATOM 1041 C VAL A 64 15.872 15.964 0.105 1.00 12.01 C ATOM 1042 O VAL A 64 17.102 15.989 0.075 1.00 23.02 O ATOM 1043 CB VAL A 64 15.069 13.787 1.023 1.00 20.34 C ATOM 1044 CG1 VAL A 64 14.357 14.492 2.168 1.00 60.41 C ATOM 1045 CG2 VAL A 64 14.397 12.460 0.703 1.00 41.10 C ATOM 0 H VAL A 64 16.719 14.100 -1.433 1.00 1.13 H new ATOM 0 HA VAL A 64 14.088 14.942 -0.513 1.00 32.12 H new ATOM 0 HB VAL A 64 16.094 13.584 1.334 1.00 20.34 H new ATOM 0 HG11 VAL A 64 14.339 13.840 3.042 1.00 60.41 H new ATOM 0 HG12 VAL A 64 14.886 15.413 2.413 1.00 60.41 H new ATOM 0 HG13 VAL A 64 13.335 14.728 1.871 1.00 60.41 H new ATOM 0 HG21 VAL A 64 14.378 11.837 1.597 1.00 41.10 H new ATOM 0 HG22 VAL A 64 13.377 12.641 0.365 1.00 41.10 H new ATOM 0 HG23 VAL A 64 14.954 11.950 -0.083 1.00 41.10 H new ATOM 1055 N ASP A 65 15.134 17.023 0.421 1.00 63.21 N ATOM 1056 CA ASP A 65 15.742 18.304 0.760 1.00 40.55 C ATOM 1057 C ASP A 65 15.542 18.627 2.237 1.00 3.11 C ATOM 1058 O ASP A 65 14.412 18.719 2.717 1.00 72.40 O ATOM 1059 CB ASP A 65 15.148 19.419 -0.103 1.00 71.35 C ATOM 1060 CG ASP A 65 13.705 19.149 -0.484 1.00 44.14 C ATOM 1061 OD1 ASP A 65 12.807 19.795 0.096 1.00 25.10 O ATOM 1062 OD2 ASP A 65 13.474 18.293 -1.364 1.00 5.24 O ATOM 0 H ASP A 65 14.114 17.019 0.449 1.00 63.21 H new ATOM 0 HA ASP A 65 16.812 18.233 0.564 1.00 40.55 H new ATOM 0 HB2 ASP A 65 15.208 20.364 0.437 1.00 71.35 H new ATOM 0 HB3 ASP A 65 15.745 19.531 -1.008 1.00 71.35 H new ATOM 1067 N THR A 66 16.648 18.798 2.955 1.00 21.12 N ATOM 1068 CA THR A 66 16.595 19.108 4.378 1.00 30.12 C ATOM 1069 C THR A 66 15.789 20.376 4.635 1.00 44.31 C ATOM 1070 O THR A 66 15.288 20.592 5.738 1.00 32.12 O ATOM 1071 CB THR A 66 18.007 19.282 4.968 1.00 21.13 C ATOM 1072 OG1 THR A 66 18.939 19.593 3.926 1.00 14.13 O ATOM 1073 CG2 THR A 66 18.451 18.019 5.692 1.00 52.34 C ATOM 0 H THR A 66 17.591 18.727 2.574 1.00 21.12 H new ATOM 0 HA THR A 66 16.106 18.265 4.867 1.00 30.12 H new ATOM 0 HB THR A 66 17.978 20.102 5.686 1.00 21.13 H new ATOM 0 HG1 THR A 66 19.834 19.704 4.310 1.00 14.13 H new ATOM 0 HG21 THR A 66 19.451 18.166 6.100 1.00 52.34 H new ATOM 0 HG22 THR A 66 17.756 17.801 6.503 1.00 52.34 H new ATOM 0 HG23 THR A 66 18.464 17.184 4.992 1.00 52.34 H new ATOM 1081 N SER A 67 15.669 21.213 3.609 1.00 32.01 N ATOM 1082 CA SER A 67 14.926 22.462 3.725 1.00 0.51 C ATOM 1083 C SER A 67 13.476 22.198 4.120 1.00 4.04 C ATOM 1084 O SER A 67 12.794 23.076 4.650 1.00 21.00 O ATOM 1085 CB SER A 67 14.974 23.233 2.404 1.00 11.34 C ATOM 1086 OG SER A 67 15.210 24.613 2.627 1.00 25.43 O ATOM 0 H SER A 67 16.077 21.049 2.689 1.00 32.01 H new ATOM 0 HA SER A 67 15.393 23.062 4.506 1.00 0.51 H new ATOM 0 HB2 SER A 67 15.760 22.824 1.769 1.00 11.34 H new ATOM 0 HB3 SER A 67 14.033 23.104 1.869 1.00 11.34 H new ATOM 0 HG SER A 67 15.238 25.083 1.768 1.00 25.43 H new ATOM 1092 N THR A 68 13.011 20.980 3.859 1.00 11.40 N ATOM 1093 CA THR A 68 11.643 20.599 4.185 1.00 33.15 C ATOM 1094 C THR A 68 11.605 19.668 5.392 1.00 15.22 C ATOM 1095 O THR A 68 10.602 19.597 6.101 1.00 11.35 O ATOM 1096 CB THR A 68 10.953 19.906 2.995 1.00 65.11 C ATOM 1097 OG1 THR A 68 11.857 18.985 2.374 1.00 21.32 O ATOM 1098 CG2 THR A 68 10.482 20.929 1.972 1.00 21.33 C ATOM 0 H THR A 68 13.562 20.241 3.423 1.00 11.40 H new ATOM 0 HA THR A 68 11.107 21.518 4.421 1.00 33.15 H new ATOM 0 HB THR A 68 10.085 19.365 3.371 1.00 65.11 H new ATOM 0 HG1 THR A 68 11.934 19.195 1.420 1.00 21.32 H new ATOM 0 HG21 THR A 68 9.998 20.416 1.141 1.00 21.33 H new ATOM 0 HG22 THR A 68 9.773 21.611 2.440 1.00 21.33 H new ATOM 0 HG23 THR A 68 11.338 21.493 1.601 1.00 21.33 H new ATOM 1106 N ASN A 69 12.704 18.956 5.620 1.00 54.34 N ATOM 1107 CA ASN A 69 12.795 18.029 6.742 1.00 42.32 C ATOM 1108 C ASN A 69 13.955 18.400 7.661 1.00 43.44 C ATOM 1109 O ASN A 69 14.917 17.649 7.822 1.00 62.15 O ATOM 1110 CB ASN A 69 12.970 16.597 6.234 1.00 63.31 C ATOM 1111 CG ASN A 69 13.670 16.541 4.890 1.00 44.32 C ATOM 1112 OD1 ASN A 69 14.884 16.348 4.817 1.00 30.10 O ATOM 1113 ND2 ASN A 69 12.906 16.712 3.817 1.00 20.33 N ATOM 0 H ASN A 69 13.544 19.003 5.043 1.00 54.34 H new ATOM 0 HA ASN A 69 11.868 18.095 7.312 1.00 42.32 H new ATOM 0 HB2 ASN A 69 13.543 16.023 6.963 1.00 63.31 H new ATOM 0 HB3 ASN A 69 11.993 16.122 6.151 1.00 63.31 H new ATOM 0 HD21 ASN A 69 13.321 16.686 2.886 1.00 20.33 H new ATOM 0 HD22 ASN A 69 11.904 16.869 3.924 1.00 20.33 H new ATOM 1120 N PRO A 70 13.864 19.587 8.279 1.00 41.11 N ATOM 1121 CA PRO A 70 14.896 20.085 9.193 1.00 23.21 C ATOM 1122 C PRO A 70 14.943 19.298 10.498 1.00 31.04 C ATOM 1123 O PRO A 70 16.016 18.917 10.966 1.00 54.15 O ATOM 1124 CB PRO A 70 14.470 21.531 9.456 1.00 41.44 C ATOM 1125 CG PRO A 70 12.999 21.541 9.221 1.00 11.34 C ATOM 1126 CD PRO A 70 12.746 20.534 8.134 1.00 40.34 C ATOM 0 HA PRO A 70 15.896 19.991 8.768 1.00 23.21 H new ATOM 0 HB2 PRO A 70 14.710 21.835 10.475 1.00 41.44 H new ATOM 0 HB3 PRO A 70 14.982 22.223 8.787 1.00 41.44 H new ATOM 0 HG2 PRO A 70 12.457 21.279 10.130 1.00 11.34 H new ATOM 0 HG3 PRO A 70 12.658 22.532 8.922 1.00 11.34 H new ATOM 0 HD2 PRO A 70 11.782 20.040 8.260 1.00 40.34 H new ATOM 0 HD3 PRO A 70 12.739 21.000 7.149 1.00 40.34 H new ATOM 1134 N GLU A 71 13.773 19.058 11.082 1.00 54.04 N ATOM 1135 CA GLU A 71 13.682 18.316 12.334 1.00 54.32 C ATOM 1136 C GLU A 71 13.924 16.828 12.103 1.00 21.51 C ATOM 1137 O GLU A 71 14.469 16.136 12.963 1.00 13.01 O ATOM 1138 CB GLU A 71 12.310 18.527 12.979 1.00 61.04 C ATOM 1139 CG GLU A 71 12.150 19.886 13.639 1.00 43.11 C ATOM 1140 CD GLU A 71 10.873 19.995 14.448 1.00 34.23 C ATOM 1141 OE1 GLU A 71 10.935 19.811 15.682 1.00 22.10 O ATOM 1142 OE2 GLU A 71 9.811 20.263 13.849 1.00 52.33 O ATOM 0 H GLU A 71 12.875 19.367 10.708 1.00 54.04 H new ATOM 0 HA GLU A 71 14.453 18.692 13.006 1.00 54.32 H new ATOM 0 HB2 GLU A 71 11.538 18.409 12.218 1.00 61.04 H new ATOM 0 HB3 GLU A 71 12.145 17.749 13.724 1.00 61.04 H new ATOM 0 HG2 GLU A 71 13.005 20.073 14.289 1.00 43.11 H new ATOM 0 HG3 GLU A 71 12.157 20.661 12.873 1.00 43.11 H new ATOM 1149 N ALA A 72 13.515 16.341 10.936 1.00 50.31 N ATOM 1150 CA ALA A 72 13.689 14.936 10.591 1.00 75.23 C ATOM 1151 C ALA A 72 15.126 14.486 10.829 1.00 71.45 C ATOM 1152 O ALA A 72 15.377 13.324 11.150 1.00 44.03 O ATOM 1153 CB ALA A 72 13.291 14.695 9.142 1.00 52.10 C ATOM 0 H ALA A 72 13.061 16.899 10.213 1.00 50.31 H new ATOM 0 HA ALA A 72 13.040 14.346 11.238 1.00 75.23 H new ATOM 0 HB1 ALA A 72 13.426 13.641 8.898 1.00 52.10 H new ATOM 0 HB2 ALA A 72 12.245 14.969 9.002 1.00 52.10 H new ATOM 0 HB3 ALA A 72 13.916 15.302 8.487 1.00 52.10 H new ATOM 1159 N ARG A 73 16.065 15.412 10.668 1.00 64.31 N ATOM 1160 CA ARG A 73 17.478 15.109 10.863 1.00 21.14 C ATOM 1161 C ARG A 73 17.775 14.824 12.333 1.00 72.12 C ATOM 1162 O ARG A 73 18.378 13.805 12.667 1.00 32.22 O ATOM 1163 CB ARG A 73 18.343 16.272 10.374 1.00 63.44 C ATOM 1164 CG ARG A 73 18.917 16.060 8.982 1.00 32.10 C ATOM 1165 CD ARG A 73 20.405 16.369 8.940 1.00 23.40 C ATOM 1166 NE ARG A 73 20.664 17.801 8.816 1.00 71.42 N ATOM 1167 CZ ARG A 73 21.842 18.307 8.470 1.00 40.35 C ATOM 1168 NH1 ARG A 73 22.864 17.503 8.214 1.00 22.50 N ATOM 1169 NH2 ARG A 73 21.999 19.622 8.378 1.00 62.33 N ATOM 0 H ARG A 73 15.873 16.378 10.403 1.00 64.31 H new ATOM 0 HA ARG A 73 17.716 14.218 10.282 1.00 21.14 H new ATOM 0 HB2 ARG A 73 17.746 17.184 10.377 1.00 63.44 H new ATOM 0 HB3 ARG A 73 19.162 16.425 11.076 1.00 63.44 H new ATOM 0 HG2 ARG A 73 18.750 15.029 8.671 1.00 32.10 H new ATOM 0 HG3 ARG A 73 18.392 16.697 8.270 1.00 32.10 H new ATOM 0 HD2 ARG A 73 20.879 15.992 9.846 1.00 23.40 H new ATOM 0 HD3 ARG A 73 20.861 15.844 8.100 1.00 23.40 H new ATOM 0 HE ARG A 73 19.898 18.448 9.005 1.00 71.42 H new ATOM 0 HH11 ARG A 73 22.747 16.492 8.282 1.00 22.50 H new ATOM 0 HH12 ARG A 73 23.767 17.895 7.948 1.00 22.50 H new ATOM 0 HH21 ARG A 73 21.215 20.244 8.573 1.00 62.33 H new ATOM 0 HH22 ARG A 73 22.904 20.010 8.112 1.00 62.33 H new ATOM 1183 N GLU A 74 17.347 15.732 13.205 1.00 61.24 N ATOM 1184 CA GLU A 74 17.569 15.578 14.638 1.00 74.34 C ATOM 1185 C GLU A 74 16.953 14.277 15.147 1.00 42.45 C ATOM 1186 O GLU A 74 17.376 13.736 16.168 1.00 4.51 O ATOM 1187 CB GLU A 74 16.978 16.767 15.398 1.00 35.53 C ATOM 1188 CG GLU A 74 17.997 17.521 16.235 1.00 13.04 C ATOM 1189 CD GLU A 74 18.813 16.605 17.126 1.00 31.13 C ATOM 1190 OE1 GLU A 74 18.233 16.021 18.066 1.00 70.02 O ATOM 1191 OE2 GLU A 74 20.031 16.472 16.885 1.00 73.13 O ATOM 0 H GLU A 74 16.845 16.581 12.944 1.00 61.24 H new ATOM 0 HA GLU A 74 18.644 15.543 14.812 1.00 74.34 H new ATOM 0 HB2 GLU A 74 16.526 17.455 14.684 1.00 35.53 H new ATOM 0 HB3 GLU A 74 16.178 16.411 16.048 1.00 35.53 H new ATOM 0 HG2 GLU A 74 18.668 18.072 15.575 1.00 13.04 H new ATOM 0 HG3 GLU A 74 17.482 18.257 16.852 1.00 13.04 H new ATOM 1198 N TRP A 75 15.952 13.783 14.427 1.00 25.43 N ATOM 1199 CA TRP A 75 15.278 12.546 14.806 1.00 52.11 C ATOM 1200 C TRP A 75 16.286 11.428 15.046 1.00 33.41 C ATOM 1201 O TRP A 75 16.140 10.638 15.980 1.00 61.04 O ATOM 1202 CB TRP A 75 14.285 12.130 13.720 1.00 74.22 C ATOM 1203 CG TRP A 75 13.155 11.291 14.237 1.00 3.14 C ATOM 1204 CD1 TRP A 75 11.963 11.737 14.732 1.00 40.21 C ATOM 1205 CD2 TRP A 75 13.114 9.862 14.313 1.00 0.01 C ATOM 1206 NE1 TRP A 75 11.183 10.671 15.111 1.00 51.24 N ATOM 1207 CE2 TRP A 75 11.866 9.510 14.863 1.00 32.11 C ATOM 1208 CE3 TRP A 75 14.009 8.846 13.968 1.00 33.41 C ATOM 1209 CZ2 TRP A 75 11.494 8.185 15.076 1.00 55.31 C ATOM 1210 CZ3 TRP A 75 13.638 7.531 14.180 1.00 12.42 C ATOM 1211 CH2 TRP A 75 12.389 7.211 14.729 1.00 21.50 C ATOM 0 H TRP A 75 15.590 14.219 13.579 1.00 25.43 H new ATOM 0 HA TRP A 75 14.736 12.726 15.735 1.00 52.11 H new ATOM 0 HB2 TRP A 75 13.878 13.024 13.248 1.00 74.22 H new ATOM 0 HB3 TRP A 75 14.815 11.575 12.946 1.00 74.22 H new ATOM 0 HD1 TRP A 75 11.676 12.775 14.814 1.00 40.21 H new ATOM 0 HE1 TRP A 75 10.247 10.734 15.512 1.00 51.24 H new ATOM 0 HE3 TRP A 75 14.973 9.084 13.543 1.00 33.41 H new ATOM 0 HZ2 TRP A 75 10.533 7.935 15.500 1.00 55.31 H new ATOM 0 HZ3 TRP A 75 14.322 6.737 13.918 1.00 12.42 H new ATOM 0 HH2 TRP A 75 12.128 6.174 14.881 1.00 21.50 H new ATOM 1222 N TYR A 76 17.307 11.366 14.199 1.00 21.42 N ATOM 1223 CA TYR A 76 18.338 10.342 14.319 1.00 62.31 C ATOM 1224 C TYR A 76 19.729 10.968 14.334 1.00 1.33 C ATOM 1225 O TYR A 76 20.737 10.272 14.226 1.00 61.54 O ATOM 1226 CB TYR A 76 18.230 9.342 13.166 1.00 32.14 C ATOM 1227 CG TYR A 76 19.070 8.100 13.361 1.00 42.10 C ATOM 1228 CD1 TYR A 76 19.929 7.655 12.363 1.00 12.31 C ATOM 1229 CD2 TYR A 76 19.005 7.371 14.542 1.00 50.02 C ATOM 1230 CE1 TYR A 76 20.698 6.521 12.536 1.00 21.20 C ATOM 1231 CE2 TYR A 76 19.772 6.236 14.724 1.00 14.41 C ATOM 1232 CZ TYR A 76 20.616 5.815 13.718 1.00 3.23 C ATOM 1233 OH TYR A 76 21.381 4.685 13.895 1.00 35.44 O ATOM 0 H TYR A 76 17.443 12.013 13.422 1.00 21.42 H new ATOM 0 HA TYR A 76 18.185 9.818 15.262 1.00 62.31 H new ATOM 0 HB2 TYR A 76 17.187 9.050 13.046 1.00 32.14 H new ATOM 0 HB3 TYR A 76 18.532 9.833 12.241 1.00 32.14 H new ATOM 0 HD1 TYR A 76 19.996 8.206 11.436 1.00 12.31 H new ATOM 0 HD2 TYR A 76 18.344 7.697 15.331 1.00 50.02 H new ATOM 0 HE1 TYR A 76 21.360 6.189 11.750 1.00 21.20 H new ATOM 0 HE2 TYR A 76 19.711 5.682 15.649 1.00 14.41 H new ATOM 0 HH TYR A 76 21.206 4.307 14.782 1.00 35.44 H new ATOM 1243 N ASN A 77 19.774 12.290 14.471 1.00 62.41 N ATOM 1244 CA ASN A 77 21.041 13.012 14.501 1.00 53.10 C ATOM 1245 C ASN A 77 21.912 12.632 13.308 1.00 64.20 C ATOM 1246 O ASN A 77 22.701 11.689 13.378 1.00 3.05 O ATOM 1247 CB ASN A 77 21.787 12.722 15.805 1.00 74.20 C ATOM 1248 CG ASN A 77 23.233 13.176 15.757 1.00 13.03 C ATOM 1249 OD1 ASN A 77 24.141 12.371 15.553 1.00 44.14 O ATOM 1250 ND2 ASN A 77 23.452 14.472 15.947 1.00 21.11 N ATOM 0 H ASN A 77 18.949 12.882 14.563 1.00 62.41 H new ATOM 0 HA ASN A 77 20.824 14.079 14.444 1.00 53.10 H new ATOM 0 HB2 ASN A 77 21.279 13.222 16.630 1.00 74.20 H new ATOM 0 HB3 ASN A 77 21.752 11.652 16.010 1.00 74.20 H new ATOM 0 HD21 ASN A 77 24.404 14.837 15.927 1.00 21.11 H new ATOM 0 HD22 ASN A 77 22.668 15.103 16.113 1.00 21.11 H new ATOM 1257 N ILE A 78 21.764 13.372 12.214 1.00 23.24 N ATOM 1258 CA ILE A 78 22.539 13.113 11.007 1.00 0.31 C ATOM 1259 C ILE A 78 23.704 14.089 10.882 1.00 51.52 C ATOM 1260 O ILE A 78 23.505 15.297 10.744 1.00 2.15 O ATOM 1261 CB ILE A 78 21.663 13.212 9.744 1.00 1.12 C ATOM 1262 CG1 ILE A 78 20.903 11.903 9.521 1.00 54.31 C ATOM 1263 CG2 ILE A 78 22.518 13.548 8.531 1.00 22.44 C ATOM 1264 CD1 ILE A 78 19.907 11.969 8.384 1.00 42.32 C ATOM 0 H ILE A 78 21.115 14.155 12.139 1.00 23.24 H new ATOM 0 HA ILE A 78 22.926 12.098 11.092 1.00 0.31 H new ATOM 0 HB ILE A 78 20.937 14.013 9.885 1.00 1.12 H new ATOM 0 HG12 ILE A 78 21.619 11.106 9.320 1.00 54.31 H new ATOM 0 HG13 ILE A 78 20.378 11.636 10.438 1.00 54.31 H new ATOM 0 HG21 ILE A 78 21.885 13.614 7.646 1.00 22.44 H new ATOM 0 HG22 ILE A 78 23.018 14.503 8.692 1.00 22.44 H new ATOM 0 HG23 ILE A 78 23.265 12.767 8.385 1.00 22.44 H new ATOM 0 HD11 ILE A 78 19.405 11.007 8.283 1.00 42.32 H new ATOM 0 HD12 ILE A 78 19.168 12.743 8.592 1.00 42.32 H new ATOM 0 HD13 ILE A 78 20.429 12.205 7.456 1.00 42.32 H new ATOM 1276 N THR A 79 24.922 13.558 10.928 1.00 12.33 N ATOM 1277 CA THR A 79 26.119 14.382 10.819 1.00 23.34 C ATOM 1278 C THR A 79 26.604 14.460 9.376 1.00 34.31 C ATOM 1279 O THR A 79 27.074 15.504 8.925 1.00 71.23 O ATOM 1280 CB THR A 79 27.258 13.837 11.702 1.00 31.32 C ATOM 1281 OG1 THR A 79 27.380 12.421 11.526 1.00 35.21 O ATOM 1282 CG2 THR A 79 27.003 14.150 13.169 1.00 41.43 C ATOM 0 H THR A 79 25.105 12.561 11.040 1.00 12.33 H new ATOM 0 HA THR A 79 25.848 15.380 11.163 1.00 23.34 H new ATOM 0 HB THR A 79 28.186 14.322 11.399 1.00 31.32 H new ATOM 0 HG1 THR A 79 28.107 12.083 12.089 1.00 35.21 H new ATOM 0 HG21 THR A 79 27.820 13.755 13.773 1.00 41.43 H new ATOM 0 HG22 THR A 79 26.940 15.230 13.305 1.00 41.43 H new ATOM 0 HG23 THR A 79 26.066 13.689 13.482 1.00 41.43 H new ATOM 1290 N SER A 80 26.485 13.349 8.656 1.00 72.20 N ATOM 1291 CA SER A 80 26.914 13.291 7.263 1.00 34.15 C ATOM 1292 C SER A 80 25.723 13.446 6.322 1.00 64.14 C ATOM 1293 O SER A 80 25.121 12.460 5.897 1.00 53.13 O ATOM 1294 CB SER A 80 27.631 11.969 6.983 1.00 5.23 C ATOM 1295 OG SER A 80 27.008 10.896 7.666 1.00 30.54 O ATOM 0 H SER A 80 26.095 12.477 9.014 1.00 72.20 H new ATOM 0 HA SER A 80 27.605 14.115 7.086 1.00 34.15 H new ATOM 0 HB2 SER A 80 27.630 11.771 5.911 1.00 5.23 H new ATOM 0 HB3 SER A 80 28.673 12.045 7.292 1.00 5.23 H new ATOM 0 HG SER A 80 27.484 10.062 7.469 1.00 30.54 H new ATOM 1301 N VAL A 81 25.390 14.692 5.999 1.00 22.33 N ATOM 1302 CA VAL A 81 24.273 14.978 5.107 1.00 21.30 C ATOM 1303 C VAL A 81 24.180 13.941 3.993 1.00 31.13 C ATOM 1304 O VAL A 81 23.164 13.266 3.823 1.00 24.32 O ATOM 1305 CB VAL A 81 24.400 16.379 4.480 1.00 63.32 C ATOM 1306 CG1 VAL A 81 23.121 17.175 4.688 1.00 4.44 C ATOM 1307 CG2 VAL A 81 25.598 17.115 5.061 1.00 52.34 C ATOM 0 H VAL A 81 25.878 15.519 6.342 1.00 22.33 H new ATOM 0 HA VAL A 81 23.367 14.940 5.712 1.00 21.30 H new ATOM 0 HB VAL A 81 24.558 16.266 3.407 1.00 63.32 H new ATOM 0 HG11 VAL A 81 23.230 18.162 4.238 1.00 4.44 H new ATOM 0 HG12 VAL A 81 22.287 16.652 4.219 1.00 4.44 H new ATOM 0 HG13 VAL A 81 22.928 17.282 5.756 1.00 4.44 H new ATOM 0 HG21 VAL A 81 25.673 18.103 4.607 1.00 52.34 H new ATOM 0 HG22 VAL A 81 25.473 17.219 6.139 1.00 52.34 H new ATOM 0 HG23 VAL A 81 26.507 16.551 4.854 1.00 52.34 H new ATOM 1317 N PRO A 82 25.264 13.809 3.215 1.00 5.13 N ATOM 1318 CA PRO A 82 25.331 12.855 2.104 1.00 15.12 C ATOM 1319 C PRO A 82 25.379 11.409 2.584 1.00 35.43 C ATOM 1320 O PRO A 82 26.406 10.940 3.076 1.00 14.03 O ATOM 1321 CB PRO A 82 26.635 13.227 1.395 1.00 60.32 C ATOM 1322 CG PRO A 82 27.470 13.868 2.449 1.00 50.23 C ATOM 1323 CD PRO A 82 26.510 14.581 3.361 1.00 61.04 C ATOM 0 HA PRO A 82 24.451 12.912 1.464 1.00 15.12 H new ATOM 0 HB2 PRO A 82 27.126 12.346 0.982 1.00 60.32 H new ATOM 0 HB3 PRO A 82 26.453 13.909 0.565 1.00 60.32 H new ATOM 0 HG2 PRO A 82 28.048 13.123 2.996 1.00 50.23 H new ATOM 0 HG3 PRO A 82 28.184 14.566 2.011 1.00 50.23 H new ATOM 0 HD2 PRO A 82 26.862 14.584 4.392 1.00 61.04 H new ATOM 0 HD3 PRO A 82 26.375 15.622 3.067 1.00 61.04 H new ATOM 1331 N THR A 83 24.261 10.704 2.438 1.00 73.20 N ATOM 1332 CA THR A 83 24.175 9.311 2.857 1.00 22.42 C ATOM 1333 C THR A 83 23.270 8.511 1.927 1.00 14.34 C ATOM 1334 O THR A 83 22.366 9.063 1.299 1.00 32.02 O ATOM 1335 CB THR A 83 23.647 9.189 4.299 1.00 1.31 C ATOM 1336 OG1 THR A 83 24.346 10.100 5.155 1.00 30.11 O ATOM 1337 CG2 THR A 83 23.812 7.769 4.818 1.00 25.12 C ATOM 0 H THR A 83 23.402 11.076 2.032 1.00 73.20 H new ATOM 0 HA THR A 83 25.186 8.906 2.813 1.00 22.42 H new ATOM 0 HB THR A 83 22.585 9.436 4.296 1.00 1.31 H new ATOM 0 HG1 THR A 83 24.117 11.021 4.910 1.00 30.11 H new ATOM 0 HG21 THR A 83 23.432 7.708 5.838 1.00 25.12 H new ATOM 0 HG22 THR A 83 23.255 7.082 4.181 1.00 25.12 H new ATOM 0 HG23 THR A 83 24.868 7.498 4.807 1.00 25.12 H new ATOM 1345 N PHE A 84 23.517 7.208 1.844 1.00 12.24 N ATOM 1346 CA PHE A 84 22.723 6.332 0.990 1.00 1.34 C ATOM 1347 C PHE A 84 22.122 5.185 1.797 1.00 15.41 C ATOM 1348 O PHE A 84 22.837 4.306 2.276 1.00 24.12 O ATOM 1349 CB PHE A 84 23.584 5.775 -0.145 1.00 51.44 C ATOM 1350 CG PHE A 84 23.524 6.597 -1.401 1.00 45.41 C ATOM 1351 CD1 PHE A 84 23.182 6.015 -2.611 1.00 24.33 C ATOM 1352 CD2 PHE A 84 23.811 7.953 -1.372 1.00 22.31 C ATOM 1353 CE1 PHE A 84 23.126 6.768 -3.768 1.00 44.31 C ATOM 1354 CE2 PHE A 84 23.756 8.711 -2.526 1.00 4.32 C ATOM 1355 CZ PHE A 84 23.415 8.118 -3.726 1.00 12.34 C ATOM 0 H PHE A 84 24.261 6.735 2.358 1.00 12.24 H new ATOM 0 HA PHE A 84 21.909 6.920 0.565 1.00 1.34 H new ATOM 0 HB2 PHE A 84 24.619 5.714 0.191 1.00 51.44 H new ATOM 0 HB3 PHE A 84 23.262 4.758 -0.370 1.00 51.44 H new ATOM 0 HD1 PHE A 84 22.956 4.960 -2.650 1.00 24.33 H new ATOM 0 HD2 PHE A 84 24.081 8.422 -0.437 1.00 22.31 H new ATOM 0 HE1 PHE A 84 22.857 6.302 -4.704 1.00 44.31 H new ATOM 0 HE2 PHE A 84 23.980 9.767 -2.490 1.00 4.32 H new ATOM 0 HZ PHE A 84 23.374 8.709 -4.629 1.00 12.34 H new ATOM 1365 N VAL A 85 20.800 5.202 1.944 1.00 44.02 N ATOM 1366 CA VAL A 85 20.101 4.164 2.692 1.00 41.13 C ATOM 1367 C VAL A 85 19.200 3.341 1.778 1.00 21.10 C ATOM 1368 O VAL A 85 18.439 3.890 0.981 1.00 11.42 O ATOM 1369 CB VAL A 85 19.251 4.766 3.826 1.00 12.11 C ATOM 1370 CG1 VAL A 85 18.948 3.714 4.882 1.00 14.22 C ATOM 1371 CG2 VAL A 85 19.957 5.964 4.442 1.00 0.25 C ATOM 0 H VAL A 85 20.193 5.923 1.555 1.00 44.02 H new ATOM 0 HA VAL A 85 20.864 3.517 3.124 1.00 41.13 H new ATOM 0 HB VAL A 85 18.305 5.107 3.406 1.00 12.11 H new ATOM 0 HG11 VAL A 85 18.347 4.158 5.675 1.00 14.22 H new ATOM 0 HG12 VAL A 85 18.398 2.890 4.427 1.00 14.22 H new ATOM 0 HG13 VAL A 85 19.882 3.340 5.301 1.00 14.22 H new ATOM 0 HG21 VAL A 85 19.342 6.377 5.242 1.00 0.25 H new ATOM 0 HG22 VAL A 85 20.918 5.650 4.849 1.00 0.25 H new ATOM 0 HG23 VAL A 85 20.117 6.725 3.678 1.00 0.25 H new ATOM 1381 N ILE A 86 19.291 2.021 1.899 1.00 24.14 N ATOM 1382 CA ILE A 86 18.483 1.122 1.085 1.00 21.34 C ATOM 1383 C ILE A 86 17.349 0.511 1.902 1.00 51.23 C ATOM 1384 O ILE A 86 17.583 -0.117 2.934 1.00 53.42 O ATOM 1385 CB ILE A 86 19.335 -0.011 0.483 1.00 32.52 C ATOM 1386 CG1 ILE A 86 20.732 0.503 0.131 1.00 0.22 C ATOM 1387 CG2 ILE A 86 18.652 -0.591 -0.747 1.00 2.31 C ATOM 1388 CD1 ILE A 86 21.647 -0.565 -0.427 1.00 14.14 C ATOM 0 H ILE A 86 19.916 1.550 2.553 1.00 24.14 H new ATOM 0 HA ILE A 86 18.064 1.720 0.276 1.00 21.34 H new ATOM 0 HB ILE A 86 19.437 -0.803 1.225 1.00 32.52 H new ATOM 0 HG12 ILE A 86 20.641 1.309 -0.598 1.00 0.22 H new ATOM 0 HG13 ILE A 86 21.188 0.931 1.024 1.00 0.22 H new ATOM 0 HG21 ILE A 86 19.266 -1.391 -1.161 1.00 2.31 H new ATOM 0 HG22 ILE A 86 17.677 -0.990 -0.468 1.00 2.31 H new ATOM 0 HG23 ILE A 86 18.523 0.192 -1.495 1.00 2.31 H new ATOM 0 HD11 ILE A 86 22.620 -0.129 -0.654 1.00 14.14 H new ATOM 0 HD12 ILE A 86 21.769 -1.360 0.308 1.00 14.14 H new ATOM 0 HD13 ILE A 86 21.213 -0.977 -1.338 1.00 14.14 H new ATOM 1400 N GLU A 87 16.120 0.699 1.430 1.00 22.22 N ATOM 1401 CA GLU A 87 14.950 0.165 2.117 1.00 54.13 C ATOM 1402 C GLU A 87 14.071 -0.631 1.156 1.00 64.21 C ATOM 1403 O GLU A 87 13.980 -0.312 -0.030 1.00 23.32 O ATOM 1404 CB GLU A 87 14.138 1.300 2.745 1.00 21.13 C ATOM 1405 CG GLU A 87 13.263 2.045 1.752 1.00 74.13 C ATOM 1406 CD GLU A 87 14.064 2.696 0.642 1.00 44.25 C ATOM 1407 OE1 GLU A 87 13.592 2.686 -0.515 1.00 3.23 O ATOM 1408 OE2 GLU A 87 15.163 3.215 0.928 1.00 2.34 O ATOM 0 H GLU A 87 15.909 1.216 0.576 1.00 22.22 H new ATOM 0 HA GLU A 87 15.297 -0.504 2.905 1.00 54.13 H new ATOM 0 HB2 GLU A 87 13.509 0.891 3.535 1.00 21.13 H new ATOM 0 HB3 GLU A 87 14.821 2.007 3.216 1.00 21.13 H new ATOM 0 HG2 GLU A 87 12.543 1.352 1.317 1.00 74.13 H new ATOM 0 HG3 GLU A 87 12.692 2.809 2.279 1.00 74.13 H new ATOM 1415 N LYS A 88 13.427 -1.670 1.676 1.00 72.10 N ATOM 1416 CA LYS A 88 12.555 -2.513 0.867 1.00 72.42 C ATOM 1417 C LYS A 88 11.170 -2.628 1.497 1.00 5.51 C ATOM 1418 O LYS A 88 10.801 -3.677 2.022 1.00 63.34 O ATOM 1419 CB LYS A 88 13.168 -3.906 0.701 1.00 11.23 C ATOM 1420 CG LYS A 88 12.323 -4.846 -0.141 1.00 44.13 C ATOM 1421 CD LYS A 88 12.165 -6.202 0.525 1.00 21.14 C ATOM 1422 CE LYS A 88 10.843 -6.856 0.152 1.00 5.21 C ATOM 1423 NZ LYS A 88 9.792 -6.605 1.176 1.00 12.12 N ATOM 0 H LYS A 88 13.493 -1.949 2.655 1.00 72.10 H new ATOM 0 HA LYS A 88 12.451 -2.049 -0.114 1.00 72.42 H new ATOM 0 HB2 LYS A 88 14.153 -3.808 0.244 1.00 11.23 H new ATOM 0 HB3 LYS A 88 13.316 -4.348 1.686 1.00 11.23 H new ATOM 0 HG2 LYS A 88 11.340 -4.404 -0.306 1.00 44.13 H new ATOM 0 HG3 LYS A 88 12.784 -4.972 -1.121 1.00 44.13 H new ATOM 0 HD2 LYS A 88 12.989 -6.851 0.230 1.00 21.14 H new ATOM 0 HD3 LYS A 88 12.222 -6.086 1.607 1.00 21.14 H new ATOM 0 HE2 LYS A 88 10.509 -6.475 -0.813 1.00 5.21 H new ATOM 0 HE3 LYS A 88 10.989 -7.930 0.037 1.00 5.21 H new ATOM 0 HZ1 LYS A 88 8.855 -6.641 0.727 1.00 12.12 H new ATOM 0 HZ2 LYS A 88 9.849 -7.332 1.917 1.00 12.12 H new ATOM 0 HZ3 LYS A 88 9.937 -5.667 1.600 1.00 12.12 H new ATOM 1437 N GLY A 89 10.408 -1.540 1.440 1.00 13.24 N ATOM 1438 CA GLY A 89 9.072 -1.540 2.008 1.00 22.13 C ATOM 1439 C GLY A 89 9.037 -2.124 3.407 1.00 72.24 C ATOM 1440 O GLY A 89 8.112 -2.856 3.758 1.00 2.31 O ATOM 0 H GLY A 89 10.692 -0.659 1.011 1.00 13.24 H new ATOM 0 HA2 GLY A 89 8.692 -0.519 2.034 1.00 22.13 H new ATOM 0 HA3 GLY A 89 8.406 -2.112 1.362 1.00 22.13 H new ATOM 1444 N GLY A 90 10.048 -1.802 4.207 1.00 45.11 N ATOM 1445 CA GLY A 90 10.111 -2.310 5.565 1.00 40.01 C ATOM 1446 C GLY A 90 11.149 -1.593 6.405 1.00 64.21 C ATOM 1447 O GLY A 90 10.862 -0.560 7.008 1.00 5.04 O ATOM 0 H GLY A 90 10.825 -1.198 3.939 1.00 45.11 H new ATOM 0 HA2 GLY A 90 9.133 -2.205 6.034 1.00 40.01 H new ATOM 0 HA3 GLY A 90 10.341 -3.375 5.541 1.00 40.01 H new ATOM 1451 N GLU A 91 12.359 -2.144 6.445 1.00 52.30 N ATOM 1452 CA GLU A 91 13.442 -1.550 7.220 1.00 61.41 C ATOM 1453 C GLU A 91 14.720 -1.463 6.391 1.00 61.35 C ATOM 1454 O GLU A 91 14.865 -2.117 5.357 1.00 2.41 O ATOM 1455 CB GLU A 91 13.699 -2.367 8.488 1.00 72.50 C ATOM 1456 CG GLU A 91 14.918 -3.270 8.394 1.00 12.44 C ATOM 1457 CD GLU A 91 14.968 -4.299 9.506 1.00 23.25 C ATOM 1458 OE1 GLU A 91 14.097 -4.249 10.400 1.00 23.42 O ATOM 1459 OE2 GLU A 91 15.878 -5.154 9.483 1.00 21.24 O ATOM 0 H GLU A 91 12.613 -2.999 5.951 1.00 52.30 H new ATOM 0 HA GLU A 91 13.142 -0.540 7.501 1.00 61.41 H new ATOM 0 HB2 GLU A 91 13.826 -1.686 9.329 1.00 72.50 H new ATOM 0 HB3 GLU A 91 12.821 -2.977 8.701 1.00 72.50 H new ATOM 0 HG2 GLU A 91 14.914 -3.781 7.431 1.00 12.44 H new ATOM 0 HG3 GLU A 91 15.821 -2.660 8.427 1.00 12.44 H new ATOM 1466 N PRO A 92 15.670 -0.636 6.853 1.00 74.34 N ATOM 1467 CA PRO A 92 16.952 -0.443 6.169 1.00 22.35 C ATOM 1468 C PRO A 92 17.846 -1.676 6.255 1.00 10.23 C ATOM 1469 O PRO A 92 18.163 -2.151 7.347 1.00 50.32 O ATOM 1470 CB PRO A 92 17.584 0.729 6.925 1.00 74.21 C ATOM 1471 CG PRO A 92 16.965 0.684 8.279 1.00 15.12 C ATOM 1472 CD PRO A 92 15.565 0.174 8.078 1.00 75.41 C ATOM 0 HA PRO A 92 16.822 -0.260 5.102 1.00 22.35 H new ATOM 0 HB2 PRO A 92 18.668 0.625 6.981 1.00 74.21 H new ATOM 0 HB3 PRO A 92 17.380 1.677 6.428 1.00 74.21 H new ATOM 0 HG2 PRO A 92 17.527 0.028 8.944 1.00 15.12 H new ATOM 0 HG3 PRO A 92 16.958 1.673 8.738 1.00 15.12 H new ATOM 0 HD2 PRO A 92 15.229 -0.422 8.926 1.00 75.41 H new ATOM 0 HD3 PRO A 92 14.853 0.991 7.960 1.00 75.41 H new ATOM 1480 N LEU A 93 18.250 -2.190 5.099 1.00 51.52 N ATOM 1481 CA LEU A 93 19.109 -3.368 5.043 1.00 14.42 C ATOM 1482 C LEU A 93 20.467 -3.023 4.441 1.00 22.23 C ATOM 1483 O LEU A 93 21.444 -3.746 4.634 1.00 40.21 O ATOM 1484 CB LEU A 93 18.440 -4.472 4.223 1.00 31.10 C ATOM 1485 CG LEU A 93 18.754 -5.907 4.648 1.00 73.11 C ATOM 1486 CD1 LEU A 93 17.506 -6.773 4.565 1.00 64.21 C ATOM 1487 CD2 LEU A 93 19.866 -6.487 3.787 1.00 62.12 C ATOM 0 H LEU A 93 17.997 -1.810 4.187 1.00 51.52 H new ATOM 0 HA LEU A 93 19.264 -3.724 6.062 1.00 14.42 H new ATOM 0 HB2 LEU A 93 17.361 -4.328 4.270 1.00 31.10 H new ATOM 0 HB3 LEU A 93 18.733 -4.351 3.180 1.00 31.10 H new ATOM 0 HG LEU A 93 19.094 -5.893 5.684 1.00 73.11 H new ATOM 0 HD11 LEU A 93 17.748 -7.791 4.871 1.00 64.21 H new ATOM 0 HD12 LEU A 93 16.738 -6.369 5.225 1.00 64.21 H new ATOM 0 HD13 LEU A 93 17.136 -6.781 3.540 1.00 64.21 H new ATOM 0 HD21 LEU A 93 20.076 -7.509 4.104 1.00 62.12 H new ATOM 0 HD22 LEU A 93 19.555 -6.488 2.742 1.00 62.12 H new ATOM 0 HD23 LEU A 93 20.765 -5.881 3.897 1.00 62.12 H new ATOM 1499 N GLY A 94 20.522 -1.912 3.713 1.00 73.33 N ATOM 1500 CA GLY A 94 21.766 -1.490 3.096 1.00 75.14 C ATOM 1501 C GLY A 94 22.288 -0.191 3.675 1.00 4.31 C ATOM 1502 O GLY A 94 21.551 0.545 4.329 1.00 14.25 O ATOM 0 H GLY A 94 19.727 -1.297 3.539 1.00 73.33 H new ATOM 0 HA2 GLY A 94 22.516 -2.270 3.227 1.00 75.14 H new ATOM 0 HA3 GLY A 94 21.614 -1.371 2.023 1.00 75.14 H new ATOM 1506 N GLU A 95 23.565 0.091 3.435 1.00 3.04 N ATOM 1507 CA GLU A 95 24.186 1.310 3.941 1.00 31.21 C ATOM 1508 C GLU A 95 25.464 1.630 3.171 1.00 75.15 C ATOM 1509 O GLU A 95 26.303 0.757 2.949 1.00 43.43 O ATOM 1510 CB GLU A 95 24.499 1.168 5.432 1.00 14.53 C ATOM 1511 CG GLU A 95 25.727 0.322 5.719 1.00 4.10 C ATOM 1512 CD GLU A 95 25.602 -0.472 7.005 1.00 50.22 C ATOM 1513 OE1 GLU A 95 25.705 -1.715 6.946 1.00 23.10 O ATOM 1514 OE2 GLU A 95 25.400 0.149 8.069 1.00 3.30 O ATOM 0 H GLU A 95 24.189 -0.507 2.894 1.00 3.04 H new ATOM 0 HA GLU A 95 23.482 2.131 3.801 1.00 31.21 H new ATOM 0 HB2 GLU A 95 24.644 2.160 5.860 1.00 14.53 H new ATOM 0 HB3 GLU A 95 23.639 0.726 5.935 1.00 14.53 H new ATOM 0 HG2 GLU A 95 25.893 -0.364 4.888 1.00 4.10 H new ATOM 0 HG3 GLU A 95 26.603 0.968 5.779 1.00 4.10 H new ATOM 1521 N VAL A 96 25.603 2.888 2.764 1.00 21.21 N ATOM 1522 CA VAL A 96 26.778 3.325 2.019 1.00 75.43 C ATOM 1523 C VAL A 96 27.080 4.796 2.282 1.00 74.43 C ATOM 1524 O VAL A 96 26.170 5.605 2.466 1.00 70.32 O ATOM 1525 CB VAL A 96 26.592 3.113 0.504 1.00 21.35 C ATOM 1526 CG1 VAL A 96 27.807 3.619 -0.258 1.00 71.44 C ATOM 1527 CG2 VAL A 96 26.334 1.645 0.200 1.00 63.20 C ATOM 0 H VAL A 96 24.917 3.622 2.938 1.00 21.21 H new ATOM 0 HA VAL A 96 27.615 2.718 2.364 1.00 75.43 H new ATOM 0 HB VAL A 96 25.724 3.686 0.177 1.00 21.35 H new ATOM 0 HG11 VAL A 96 27.658 3.461 -1.326 1.00 71.44 H new ATOM 0 HG12 VAL A 96 27.941 4.683 -0.064 1.00 71.44 H new ATOM 0 HG13 VAL A 96 28.694 3.076 0.069 1.00 71.44 H new ATOM 0 HG21 VAL A 96 26.205 1.513 -0.874 1.00 63.20 H new ATOM 0 HG22 VAL A 96 27.181 1.049 0.540 1.00 63.20 H new ATOM 0 HG23 VAL A 96 25.431 1.320 0.717 1.00 63.20 H new ATOM 1537 N LYS A 97 28.364 5.137 2.298 1.00 73.53 N ATOM 1538 CA LYS A 97 28.788 6.511 2.536 1.00 21.12 C ATOM 1539 C LYS A 97 30.178 6.759 1.958 1.00 14.52 C ATOM 1540 O LYS A 97 31.078 5.934 2.104 1.00 72.32 O ATOM 1541 CB LYS A 97 28.786 6.814 4.036 1.00 25.13 C ATOM 1542 CG LYS A 97 30.014 6.294 4.763 1.00 25.42 C ATOM 1543 CD LYS A 97 29.693 5.912 6.198 1.00 30.14 C ATOM 1544 CE LYS A 97 29.188 7.106 6.993 1.00 3.52 C ATOM 1545 NZ LYS A 97 27.708 7.242 6.911 1.00 53.25 N ATOM 0 H LYS A 97 29.130 4.480 2.149 1.00 73.53 H new ATOM 0 HA LYS A 97 28.082 7.175 2.036 1.00 21.12 H new ATOM 0 HB2 LYS A 97 28.718 7.892 4.180 1.00 25.13 H new ATOM 0 HB3 LYS A 97 27.895 6.376 4.486 1.00 25.13 H new ATOM 0 HG2 LYS A 97 30.410 5.427 4.235 1.00 25.42 H new ATOM 0 HG3 LYS A 97 30.793 7.056 4.754 1.00 25.42 H new ATOM 0 HD2 LYS A 97 28.940 5.124 6.206 1.00 30.14 H new ATOM 0 HD3 LYS A 97 30.585 5.506 6.676 1.00 30.14 H new ATOM 0 HE2 LYS A 97 29.485 6.999 8.036 1.00 3.52 H new ATOM 0 HE3 LYS A 97 29.657 8.016 6.619 1.00 3.52 H new ATOM 0 HZ1 LYS A 97 27.345 7.630 7.805 1.00 53.25 H new ATOM 0 HZ2 LYS A 97 27.461 7.883 6.130 1.00 53.25 H new ATOM 0 HZ3 LYS A 97 27.283 6.308 6.740 1.00 53.25 H new ATOM 1559 N GLY A 98 30.345 7.904 1.303 1.00 41.14 N ATOM 1560 CA GLY A 98 31.628 8.241 0.714 1.00 21.00 C ATOM 1561 C GLY A 98 31.594 8.219 -0.801 1.00 44.52 C ATOM 1562 O GLY A 98 30.614 7.799 -1.416 1.00 21.42 O ATOM 0 H GLY A 98 29.615 8.604 1.170 1.00 41.14 H new ATOM 0 HA2 GLY A 98 31.931 9.232 1.053 1.00 21.00 H new ATOM 0 HA3 GLY A 98 32.382 7.538 1.068 1.00 21.00 H new ATOM 1566 N PRO A 99 32.686 8.684 -1.428 1.00 33.31 N ATOM 1567 CA PRO A 99 32.801 8.728 -2.889 1.00 22.44 C ATOM 1568 C PRO A 99 32.920 7.337 -3.503 1.00 20.12 C ATOM 1569 O PRO A 99 34.018 6.881 -3.823 1.00 51.33 O ATOM 1570 CB PRO A 99 34.087 9.526 -3.119 1.00 30.50 C ATOM 1571 CG PRO A 99 34.887 9.321 -1.879 1.00 60.00 C ATOM 1572 CD PRO A 99 33.891 9.201 -0.759 1.00 21.12 C ATOM 0 HA PRO A 99 31.920 9.170 -3.355 1.00 22.44 H new ATOM 0 HB2 PRO A 99 34.622 9.169 -3.999 1.00 30.50 H new ATOM 0 HB3 PRO A 99 33.874 10.582 -3.282 1.00 30.50 H new ATOM 0 HG2 PRO A 99 35.500 8.423 -1.954 1.00 60.00 H new ATOM 0 HG3 PRO A 99 35.566 10.157 -1.710 1.00 60.00 H new ATOM 0 HD2 PRO A 99 34.241 8.523 0.019 1.00 21.12 H new ATOM 0 HD3 PRO A 99 33.704 10.163 -0.282 1.00 21.12 H new ATOM 1580 N ASP A 100 31.784 6.668 -3.664 1.00 70.34 N ATOM 1581 CA ASP A 100 31.761 5.329 -4.242 1.00 32.20 C ATOM 1582 C ASP A 100 30.614 5.186 -5.237 1.00 53.24 C ATOM 1583 O ASP A 100 29.898 4.184 -5.235 1.00 12.32 O ATOM 1584 CB ASP A 100 31.630 4.277 -3.140 1.00 34.25 C ATOM 1585 CG ASP A 100 30.265 4.297 -2.479 1.00 41.40 C ATOM 1586 OD1 ASP A 100 29.467 3.372 -2.737 1.00 13.21 O ATOM 1587 OD2 ASP A 100 29.996 5.238 -1.704 1.00 0.34 O ATOM 0 H ASP A 100 30.867 7.030 -3.403 1.00 70.34 H new ATOM 0 HA ASP A 100 32.700 5.173 -4.773 1.00 32.20 H new ATOM 0 HB2 ASP A 100 31.812 3.289 -3.562 1.00 34.25 H new ATOM 0 HB3 ASP A 100 32.398 4.448 -2.386 1.00 34.25 H new ATOM 1592 N ILE A 101 30.445 6.195 -6.086 1.00 34.31 N ATOM 1593 CA ILE A 101 29.385 6.181 -7.086 1.00 54.13 C ATOM 1594 C ILE A 101 29.530 4.989 -8.026 1.00 24.34 C ATOM 1595 O ILE A 101 28.541 4.465 -8.539 1.00 44.30 O ATOM 1596 CB ILE A 101 29.379 7.477 -7.918 1.00 14.53 C ATOM 1597 CG1 ILE A 101 28.780 8.628 -7.105 1.00 61.41 C ATOM 1598 CG2 ILE A 101 28.602 7.274 -9.210 1.00 13.31 C ATOM 1599 CD1 ILE A 101 27.322 8.426 -6.756 1.00 41.34 C ATOM 0 H ILE A 101 31.028 7.032 -6.101 1.00 34.31 H new ATOM 0 HA ILE A 101 28.443 6.101 -6.544 1.00 54.13 H new ATOM 0 HB ILE A 101 30.408 7.733 -8.172 1.00 14.53 H new ATOM 0 HG12 ILE A 101 29.352 8.749 -6.185 1.00 61.41 H new ATOM 0 HG13 ILE A 101 28.885 9.554 -7.670 1.00 61.41 H new ATOM 0 HG21 ILE A 101 28.607 8.199 -9.787 1.00 13.31 H new ATOM 0 HG22 ILE A 101 29.068 6.480 -9.794 1.00 13.31 H new ATOM 0 HG23 ILE A 101 27.574 6.998 -8.977 1.00 13.31 H new ATOM 0 HD11 ILE A 101 26.964 9.280 -6.180 1.00 41.34 H new ATOM 0 HD12 ILE A 101 26.738 8.335 -7.672 1.00 41.34 H new ATOM 0 HD13 ILE A 101 27.212 7.517 -6.164 1.00 41.34 H new ATOM 1611 N ASP A 102 30.770 4.563 -8.244 1.00 53.24 N ATOM 1612 CA ASP A 102 31.046 3.430 -9.120 1.00 34.13 C ATOM 1613 C ASP A 102 30.773 2.111 -8.403 1.00 63.03 C ATOM 1614 O ASP A 102 30.233 1.173 -8.990 1.00 13.21 O ATOM 1615 CB ASP A 102 32.496 3.472 -9.602 1.00 43.44 C ATOM 1616 CG ASP A 102 32.738 2.561 -10.790 1.00 3.14 C ATOM 1617 OD1 ASP A 102 32.917 3.082 -11.911 1.00 24.42 O ATOM 1618 OD2 ASP A 102 32.750 1.327 -10.597 1.00 54.44 O ATOM 0 H ASP A 102 31.599 4.985 -7.826 1.00 53.24 H new ATOM 0 HA ASP A 102 30.383 3.499 -9.983 1.00 34.13 H new ATOM 0 HB2 ASP A 102 32.756 4.495 -9.874 1.00 43.44 H new ATOM 0 HB3 ASP A 102 33.156 3.182 -8.785 1.00 43.44 H new ATOM 1623 N LYS A 103 31.152 2.045 -7.131 1.00 43.24 N ATOM 1624 CA LYS A 103 30.950 0.842 -6.333 1.00 75.14 C ATOM 1625 C LYS A 103 29.489 0.707 -5.915 1.00 21.55 C ATOM 1626 O LYS A 103 29.040 -0.375 -5.531 1.00 3.52 O ATOM 1627 CB LYS A 103 31.846 0.870 -5.094 1.00 2.35 C ATOM 1628 CG LYS A 103 32.107 -0.503 -4.500 1.00 34.23 C ATOM 1629 CD LYS A 103 33.365 -0.513 -3.648 1.00 62.13 C ATOM 1630 CE LYS A 103 34.557 -1.058 -4.421 1.00 75.10 C ATOM 1631 NZ LYS A 103 35.350 -2.022 -3.609 1.00 45.52 N ATOM 0 H LYS A 103 31.601 2.812 -6.630 1.00 43.24 H new ATOM 0 HA LYS A 103 31.216 -0.020 -6.945 1.00 75.14 H new ATOM 0 HB2 LYS A 103 32.799 1.330 -5.356 1.00 2.35 H new ATOM 0 HB3 LYS A 103 31.384 1.502 -4.336 1.00 2.35 H new ATOM 0 HG2 LYS A 103 31.254 -0.806 -3.894 1.00 34.23 H new ATOM 0 HG3 LYS A 103 32.204 -1.235 -5.302 1.00 34.23 H new ATOM 0 HD2 LYS A 103 33.583 0.499 -3.307 1.00 62.13 H new ATOM 0 HD3 LYS A 103 33.198 -1.120 -2.758 1.00 62.13 H new ATOM 0 HE2 LYS A 103 34.207 -1.549 -5.329 1.00 75.10 H new ATOM 0 HE3 LYS A 103 35.197 -0.232 -4.732 1.00 75.10 H new ATOM 0 HZ1 LYS A 103 36.153 -2.371 -4.170 1.00 45.52 H new ATOM 0 HZ2 LYS A 103 35.705 -1.547 -2.755 1.00 45.52 H new ATOM 0 HZ3 LYS A 103 34.746 -2.823 -3.334 1.00 45.52 H new ATOM 1645 N LEU A 104 28.752 1.809 -5.992 1.00 33.22 N ATOM 1646 CA LEU A 104 27.340 1.813 -5.622 1.00 65.31 C ATOM 1647 C LEU A 104 26.564 0.774 -6.425 1.00 23.30 C ATOM 1648 O LEU A 104 25.635 0.148 -5.915 1.00 30.13 O ATOM 1649 CB LEU A 104 26.738 3.201 -5.846 1.00 22.12 C ATOM 1650 CG LEU A 104 25.346 3.431 -5.258 1.00 14.11 C ATOM 1651 CD1 LEU A 104 25.442 4.161 -3.927 1.00 71.12 C ATOM 1652 CD2 LEU A 104 24.477 4.211 -6.234 1.00 73.32 C ATOM 0 H LEU A 104 29.108 2.711 -6.307 1.00 33.22 H new ATOM 0 HA LEU A 104 27.266 1.558 -4.565 1.00 65.31 H new ATOM 0 HB2 LEU A 104 27.416 3.942 -5.423 1.00 22.12 H new ATOM 0 HB3 LEU A 104 26.693 3.387 -6.919 1.00 22.12 H new ATOM 0 HG LEU A 104 24.882 2.460 -5.084 1.00 14.11 H new ATOM 0 HD11 LEU A 104 24.441 4.316 -3.524 1.00 71.12 H new ATOM 0 HD12 LEU A 104 26.027 3.565 -3.227 1.00 71.12 H new ATOM 0 HD13 LEU A 104 25.927 5.126 -4.075 1.00 71.12 H new ATOM 0 HD21 LEU A 104 23.490 4.366 -5.799 1.00 73.32 H new ATOM 0 HD22 LEU A 104 24.938 5.177 -6.440 1.00 73.32 H new ATOM 0 HD23 LEU A 104 24.380 3.650 -7.163 1.00 73.32 H new ATOM 1664 N ARG A 105 26.954 0.594 -7.683 1.00 35.11 N ATOM 1665 CA ARG A 105 26.295 -0.370 -8.556 1.00 71.11 C ATOM 1666 C ARG A 105 26.455 -1.789 -8.018 1.00 10.00 C ATOM 1667 O ARG A 105 25.637 -2.664 -8.297 1.00 73.44 O ATOM 1668 CB ARG A 105 26.868 -0.283 -9.972 1.00 12.51 C ATOM 1669 CG ARG A 105 28.255 -0.889 -10.106 1.00 40.12 C ATOM 1670 CD ARG A 105 29.021 -0.276 -11.268 1.00 52.02 C ATOM 1671 NE ARG A 105 30.454 -0.542 -11.180 1.00 41.21 N ATOM 1672 CZ ARG A 105 30.994 -1.737 -11.392 1.00 44.42 C ATOM 1673 NH1 ARG A 105 30.224 -2.770 -11.704 1.00 25.13 N ATOM 1674 NH2 ARG A 105 32.308 -1.899 -11.293 1.00 74.35 N ATOM 0 H ARG A 105 27.722 1.103 -8.120 1.00 35.11 H new ATOM 0 HA ARG A 105 25.233 -0.128 -8.585 1.00 71.11 H new ATOM 0 HB2 ARG A 105 26.191 -0.790 -10.660 1.00 12.51 H new ATOM 0 HB3 ARG A 105 26.907 0.763 -10.275 1.00 12.51 H new ATOM 0 HG2 ARG A 105 28.811 -0.736 -9.181 1.00 40.12 H new ATOM 0 HG3 ARG A 105 28.170 -1.966 -10.252 1.00 40.12 H new ATOM 0 HD2 ARG A 105 28.635 -0.674 -12.207 1.00 52.02 H new ATOM 0 HD3 ARG A 105 28.853 0.801 -11.285 1.00 52.02 H new ATOM 0 HE ARG A 105 31.074 0.232 -10.943 1.00 41.21 H new ATOM 0 HH11 ARG A 105 29.214 -2.648 -11.782 1.00 25.13 H new ATOM 0 HH12 ARG A 105 30.641 -3.686 -11.866 1.00 25.13 H new ATOM 0 HH21 ARG A 105 32.903 -1.106 -11.054 1.00 74.35 H new ATOM 0 HH22 ARG A 105 32.722 -2.817 -11.456 1.00 74.35 H new ATOM 1688 N GLU A 106 27.515 -2.008 -7.246 1.00 13.43 N ATOM 1689 CA GLU A 106 27.782 -3.320 -6.670 1.00 71.52 C ATOM 1690 C GLU A 106 27.231 -3.414 -5.250 1.00 64.31 C ATOM 1691 O GLU A 106 26.628 -4.419 -4.870 1.00 44.31 O ATOM 1692 CB GLU A 106 29.286 -3.603 -6.666 1.00 33.43 C ATOM 1693 CG GLU A 106 30.000 -3.118 -7.916 1.00 2.55 C ATOM 1694 CD GLU A 106 31.445 -3.575 -7.977 1.00 13.23 C ATOM 1695 OE1 GLU A 106 31.685 -4.795 -7.864 1.00 62.20 O ATOM 1696 OE2 GLU A 106 32.334 -2.713 -8.137 1.00 21.21 O ATOM 0 H GLU A 106 28.202 -1.294 -7.005 1.00 13.43 H new ATOM 0 HA GLU A 106 27.281 -4.067 -7.285 1.00 71.52 H new ATOM 0 HB2 GLU A 106 29.734 -3.127 -5.794 1.00 33.43 H new ATOM 0 HB3 GLU A 106 29.445 -4.676 -6.560 1.00 33.43 H new ATOM 0 HG2 GLU A 106 29.470 -3.482 -8.797 1.00 2.55 H new ATOM 0 HG3 GLU A 106 29.965 -2.029 -7.950 1.00 2.55 H new ATOM 1703 N THR A 107 27.444 -2.360 -4.468 1.00 73.14 N ATOM 1704 CA THR A 107 26.971 -2.323 -3.090 1.00 42.02 C ATOM 1705 C THR A 107 25.454 -2.451 -3.026 1.00 34.54 C ATOM 1706 O THR A 107 24.907 -3.005 -2.070 1.00 42.14 O ATOM 1707 CB THR A 107 27.395 -1.020 -2.386 1.00 22.41 C ATOM 1708 OG1 THR A 107 28.717 -0.651 -2.793 1.00 43.05 O ATOM 1709 CG2 THR A 107 27.352 -1.184 -0.874 1.00 63.01 C ATOM 0 H THR A 107 27.941 -1.521 -4.766 1.00 73.14 H new ATOM 0 HA THR A 107 27.426 -3.170 -2.576 1.00 42.02 H new ATOM 0 HB THR A 107 26.695 -0.234 -2.671 1.00 22.41 H new ATOM 0 HG1 THR A 107 28.714 -0.420 -3.745 1.00 43.05 H new ATOM 0 HG21 THR A 107 27.655 -0.251 -0.398 1.00 63.01 H new ATOM 0 HG22 THR A 107 26.338 -1.436 -0.564 1.00 63.01 H new ATOM 0 HG23 THR A 107 28.032 -1.982 -0.575 1.00 63.01 H new ATOM 1717 N LEU A 108 24.777 -1.938 -4.047 1.00 42.11 N ATOM 1718 CA LEU A 108 23.321 -1.996 -4.107 1.00 33.12 C ATOM 1719 C LEU A 108 22.852 -3.322 -4.698 1.00 45.22 C ATOM 1720 O LEU A 108 21.730 -3.761 -4.450 1.00 75.42 O ATOM 1721 CB LEU A 108 22.778 -0.833 -4.939 1.00 70.12 C ATOM 1722 CG LEU A 108 22.467 -1.144 -6.404 1.00 5.31 C ATOM 1723 CD1 LEU A 108 21.041 -1.651 -6.551 1.00 42.54 C ATOM 1724 CD2 LEU A 108 22.690 0.088 -7.269 1.00 13.40 C ATOM 0 H LEU A 108 25.213 -1.477 -4.845 1.00 42.11 H new ATOM 0 HA LEU A 108 22.937 -1.917 -3.090 1.00 33.12 H new ATOM 0 HB2 LEU A 108 21.867 -0.467 -4.465 1.00 70.12 H new ATOM 0 HB3 LEU A 108 23.503 -0.020 -4.907 1.00 70.12 H new ATOM 0 HG LEU A 108 23.145 -1.928 -6.742 1.00 5.31 H new ATOM 0 HD11 LEU A 108 20.838 -1.867 -7.600 1.00 42.54 H new ATOM 0 HD12 LEU A 108 20.915 -2.560 -5.962 1.00 42.54 H new ATOM 0 HD13 LEU A 108 20.346 -0.890 -6.196 1.00 42.54 H new ATOM 0 HD21 LEU A 108 22.464 -0.151 -8.308 1.00 13.40 H new ATOM 0 HD22 LEU A 108 22.037 0.893 -6.932 1.00 13.40 H new ATOM 0 HD23 LEU A 108 23.729 0.406 -7.188 1.00 13.40 H new ATOM 1736 N ASP A 109 23.721 -3.955 -5.479 1.00 51.20 N ATOM 1737 CA ASP A 109 23.398 -5.233 -6.103 1.00 51.53 C ATOM 1738 C ASP A 109 23.591 -6.382 -5.120 1.00 24.34 C ATOM 1739 O ASP A 109 22.736 -7.259 -5.000 1.00 4.14 O ATOM 1740 CB ASP A 109 24.267 -5.453 -7.342 1.00 71.24 C ATOM 1741 CG ASP A 109 24.407 -6.920 -7.697 1.00 63.43 C ATOM 1742 OD1 ASP A 109 23.376 -7.561 -7.991 1.00 63.34 O ATOM 1743 OD2 ASP A 109 25.548 -7.428 -7.682 1.00 1.42 O ATOM 0 H ASP A 109 24.654 -3.604 -5.695 1.00 51.20 H new ATOM 0 HA ASP A 109 22.350 -5.209 -6.403 1.00 51.53 H new ATOM 0 HB2 ASP A 109 23.833 -4.918 -8.186 1.00 71.24 H new ATOM 0 HB3 ASP A 109 25.256 -5.028 -7.169 1.00 71.24 H new ATOM 1748 N GLU A 110 24.721 -6.371 -4.419 1.00 64.53 N ATOM 1749 CA GLU A 110 25.027 -7.415 -3.448 1.00 2.02 C ATOM 1750 C GLU A 110 23.898 -7.560 -2.431 1.00 43.43 C ATOM 1751 O GLU A 110 23.731 -8.615 -1.818 1.00 1.31 O ATOM 1752 CB GLU A 110 26.340 -7.103 -2.727 1.00 43.30 C ATOM 1753 CG GLU A 110 27.517 -6.900 -3.667 1.00 0.24 C ATOM 1754 CD GLU A 110 28.380 -8.140 -3.797 1.00 51.11 C ATOM 1755 OE1 GLU A 110 29.620 -7.998 -3.826 1.00 25.20 O ATOM 1756 OE2 GLU A 110 27.815 -9.251 -3.871 1.00 24.25 O ATOM 0 H GLU A 110 25.439 -5.651 -4.505 1.00 64.53 H new ATOM 0 HA GLU A 110 25.131 -8.357 -3.987 1.00 2.02 H new ATOM 0 HB2 GLU A 110 26.209 -6.205 -2.123 1.00 43.30 H new ATOM 0 HB3 GLU A 110 26.570 -7.918 -2.040 1.00 43.30 H new ATOM 0 HG2 GLU A 110 27.146 -6.615 -4.652 1.00 0.24 H new ATOM 0 HG3 GLU A 110 28.128 -6.073 -3.305 1.00 0.24 H new ATOM 1763 N LEU A 111 23.126 -6.493 -2.258 1.00 4.54 N ATOM 1764 CA LEU A 111 22.013 -6.499 -1.315 1.00 52.02 C ATOM 1765 C LEU A 111 20.692 -6.751 -2.035 1.00 32.32 C ATOM 1766 O LEU A 111 19.915 -7.623 -1.642 1.00 0.21 O ATOM 1767 CB LEU A 111 21.950 -5.170 -0.561 1.00 11.23 C ATOM 1768 CG LEU A 111 20.621 -4.849 0.124 1.00 12.01 C ATOM 1769 CD1 LEU A 111 20.856 -4.061 1.404 1.00 61.44 C ATOM 1770 CD2 LEU A 111 19.708 -4.079 -0.818 1.00 54.44 C ATOM 0 H LEU A 111 23.250 -5.613 -2.758 1.00 4.54 H new ATOM 0 HA LEU A 111 22.178 -7.307 -0.602 1.00 52.02 H new ATOM 0 HB2 LEU A 111 22.735 -5.166 0.195 1.00 11.23 H new ATOM 0 HB3 LEU A 111 22.178 -4.367 -1.262 1.00 11.23 H new ATOM 0 HG LEU A 111 20.133 -5.788 0.385 1.00 12.01 H new ATOM 0 HD11 LEU A 111 19.899 -3.842 1.877 1.00 61.44 H new ATOM 0 HD12 LEU A 111 21.472 -4.649 2.085 1.00 61.44 H new ATOM 0 HD13 LEU A 111 21.366 -3.127 1.168 1.00 61.44 H new ATOM 0 HD21 LEU A 111 18.767 -3.859 -0.314 1.00 54.44 H new ATOM 0 HD22 LEU A 111 20.190 -3.146 -1.110 1.00 54.44 H new ATOM 0 HD23 LEU A 111 19.512 -4.679 -1.706 1.00 54.44 H new ATOM 1782 N LEU A 112 20.444 -5.985 -3.091 1.00 61.34 N ATOM 1783 CA LEU A 112 19.218 -6.127 -3.869 1.00 34.05 C ATOM 1784 C LEU A 112 19.095 -7.536 -4.440 1.00 40.24 C ATOM 1785 O LEU A 112 18.003 -7.982 -4.790 1.00 15.43 O ATOM 1786 CB LEU A 112 19.187 -5.100 -5.002 1.00 11.13 C ATOM 1787 CG LEU A 112 17.838 -4.906 -5.696 1.00 23.41 C ATOM 1788 CD1 LEU A 112 16.758 -4.571 -4.679 1.00 40.15 C ATOM 1789 CD2 LEU A 112 17.935 -3.817 -6.754 1.00 14.01 C ATOM 0 H LEU A 112 21.076 -5.259 -3.429 1.00 61.34 H new ATOM 0 HA LEU A 112 18.373 -5.950 -3.204 1.00 34.05 H new ATOM 0 HB2 LEU A 112 19.509 -4.138 -4.603 1.00 11.13 H new ATOM 0 HB3 LEU A 112 19.920 -5.395 -5.753 1.00 11.13 H new ATOM 0 HG LEU A 112 17.566 -5.840 -6.189 1.00 23.41 H new ATOM 0 HD11 LEU A 112 15.805 -4.436 -5.191 1.00 40.15 H new ATOM 0 HD12 LEU A 112 16.671 -5.385 -3.959 1.00 40.15 H new ATOM 0 HD13 LEU A 112 17.022 -3.651 -4.157 1.00 40.15 H new ATOM 0 HD21 LEU A 112 16.966 -3.692 -7.238 1.00 14.01 H new ATOM 0 HD22 LEU A 112 18.229 -2.879 -6.284 1.00 14.01 H new ATOM 0 HD23 LEU A 112 18.679 -4.099 -7.499 1.00 14.01 H new ATOM 1801 N ALA A 113 20.223 -8.232 -4.531 1.00 23.31 N ATOM 1802 CA ALA A 113 20.242 -9.592 -5.056 1.00 14.10 C ATOM 1803 C ALA A 113 19.699 -10.583 -4.032 1.00 74.12 C ATOM 1804 O ALA A 113 19.170 -11.635 -4.392 1.00 51.15 O ATOM 1805 CB ALA A 113 21.654 -9.979 -5.471 1.00 15.44 C ATOM 0 H ALA A 113 21.136 -7.877 -4.248 1.00 23.31 H new ATOM 0 HA ALA A 113 19.596 -9.625 -5.933 1.00 14.10 H new ATOM 0 HB1 ALA A 113 21.653 -10.997 -5.861 1.00 15.44 H new ATOM 0 HB2 ALA A 113 22.007 -9.295 -6.243 1.00 15.44 H new ATOM 0 HB3 ALA A 113 22.316 -9.923 -4.607 1.00 15.44 H new ATOM 1811 N ARG A 114 19.833 -10.241 -2.755 1.00 64.11 N ATOM 1812 CA ARG A 114 19.358 -11.102 -1.679 1.00 72.42 C ATOM 1813 C ARG A 114 17.886 -11.453 -1.874 1.00 15.11 C ATOM 1814 O ARG A 114 17.524 -12.625 -1.983 1.00 65.53 O ATOM 1815 CB ARG A 114 19.556 -10.419 -0.325 1.00 32.21 C ATOM 1816 CG ARG A 114 18.941 -11.181 0.837 1.00 31.55 C ATOM 1817 CD ARG A 114 19.525 -10.734 2.168 1.00 22.33 C ATOM 1818 NE ARG A 114 18.843 -11.353 3.301 1.00 32.44 N ATOM 1819 CZ ARG A 114 19.245 -11.225 4.561 1.00 54.50 C ATOM 1820 NH1 ARG A 114 20.319 -10.502 4.847 1.00 61.40 N ATOM 1821 NH2 ARG A 114 18.571 -11.818 5.538 1.00 73.44 N ATOM 0 H ARG A 114 20.267 -9.373 -2.440 1.00 64.11 H new ATOM 0 HA ARG A 114 19.940 -12.024 -1.701 1.00 72.42 H new ATOM 0 HB2 ARG A 114 20.623 -10.295 -0.143 1.00 32.21 H new ATOM 0 HB3 ARG A 114 19.121 -9.420 -0.364 1.00 32.21 H new ATOM 0 HG2 ARG A 114 17.862 -11.029 0.843 1.00 31.55 H new ATOM 0 HG3 ARG A 114 19.112 -12.249 0.704 1.00 31.55 H new ATOM 0 HD2 ARG A 114 20.585 -10.986 2.201 1.00 22.33 H new ATOM 0 HD3 ARG A 114 19.452 -9.650 2.250 1.00 22.33 H new ATOM 0 HE ARG A 114 18.012 -11.915 3.115 1.00 32.44 H new ATOM 0 HH11 ARG A 114 20.839 -10.043 4.099 1.00 61.40 H new ATOM 0 HH12 ARG A 114 20.626 -10.405 5.815 1.00 61.40 H new ATOM 0 HH21 ARG A 114 17.743 -12.373 5.322 1.00 73.44 H new ATOM 0 HH22 ARG A 114 18.881 -11.719 6.505 1.00 73.44 H new ATOM 1835 N LEU A 115 17.040 -10.429 -1.916 1.00 32.34 N ATOM 1836 CA LEU A 115 15.606 -10.628 -2.097 1.00 30.55 C ATOM 1837 C LEU A 115 15.256 -10.752 -3.576 1.00 32.10 C ATOM 1838 O LEU A 115 14.752 -11.783 -4.020 1.00 21.32 O ATOM 1839 CB LEU A 115 14.827 -9.470 -1.472 1.00 3.45 C ATOM 1840 CG LEU A 115 13.750 -9.855 -0.457 1.00 54.34 C ATOM 1841 CD1 LEU A 115 12.666 -10.691 -1.121 1.00 43.42 C ATOM 1842 CD2 LEU A 115 14.364 -10.607 0.714 1.00 70.42 C ATOM 0 H LEU A 115 17.322 -9.453 -1.827 1.00 32.34 H new ATOM 0 HA LEU A 115 15.327 -11.556 -1.598 1.00 30.55 H new ATOM 0 HB2 LEU A 115 15.537 -8.803 -0.983 1.00 3.45 H new ATOM 0 HB3 LEU A 115 14.356 -8.901 -2.274 1.00 3.45 H new ATOM 0 HG LEU A 115 13.294 -8.941 -0.076 1.00 54.34 H new ATOM 0 HD11 LEU A 115 11.908 -10.956 -0.384 1.00 43.42 H new ATOM 0 HD12 LEU A 115 12.205 -10.117 -1.925 1.00 43.42 H new ATOM 0 HD13 LEU A 115 13.107 -11.600 -1.531 1.00 43.42 H new ATOM 0 HD21 LEU A 115 13.582 -10.873 1.426 1.00 70.42 H new ATOM 0 HD22 LEU A 115 14.847 -11.514 0.351 1.00 70.42 H new ATOM 0 HD23 LEU A 115 15.103 -9.974 1.206 1.00 70.42 H new ATOM 1854 N GLU A 116 15.528 -9.694 -4.334 1.00 24.42 N ATOM 1855 CA GLU A 116 15.243 -9.686 -5.764 1.00 31.13 C ATOM 1856 C GLU A 116 16.236 -10.562 -6.522 1.00 5.21 C ATOM 1857 O GLU A 116 15.859 -11.564 -7.127 1.00 71.25 O ATOM 1858 CB GLU A 116 15.288 -8.256 -6.307 1.00 61.51 C ATOM 1859 CG GLU A 116 13.915 -7.666 -6.582 1.00 23.10 C ATOM 1860 CD GLU A 116 13.088 -8.525 -7.518 1.00 35.21 C ATOM 1861 OE1 GLU A 116 13.670 -9.405 -8.186 1.00 44.32 O ATOM 1862 OE2 GLU A 116 11.858 -8.318 -7.582 1.00 71.35 O ATOM 0 H GLU A 116 15.945 -8.832 -3.982 1.00 24.42 H new ATOM 0 HA GLU A 116 14.242 -10.092 -5.912 1.00 31.13 H new ATOM 0 HB2 GLU A 116 15.810 -7.621 -5.592 1.00 61.51 H new ATOM 0 HB3 GLU A 116 15.870 -8.244 -7.228 1.00 61.51 H new ATOM 0 HG2 GLU A 116 13.381 -7.544 -5.640 1.00 23.10 H new ATOM 0 HG3 GLU A 116 14.031 -6.672 -7.014 1.00 23.10 H new