USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 740 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 97 GLN : amide:sc= -0.376 X(o=0.9,f=1.2) USER MOD Set 1.2: A 103 TYR OH : rot -27:sc= 1.27 USER MOD Set 2.1: A 60 ASN :FLIP amide:sc= -0.309 F(o=-2.2!,f=-0.31) USER MOD Set 2.2: A 102 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 78 MET CE :methyl -150:sc= -3.45! (180deg=-5.41!) USER MOD Set 3.2: A 93 TYR OH : rot 150:sc= -0.0713 USER MOD Set 4.1: A 84 ASN : amide:sc= -0.265 K(o=-0.21,f=-1.7) USER MOD Set 4.2: A 85 SER OG : rot -91:sc= 0.0505 USER MOD Set 5.1: A 46 SER OG : rot -150:sc= 0 USER MOD Set 5.2: A 54 SER OG : rot 10:sc= 0.111 USER MOD Set 6.1: A 30 ASN :FLIP amide:sc= -0.459 F(o=-0.28!,f=0.92) USER MOD Set 6.2: A 34 THR OG1 : rot -76:sc= 1.38 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= 0.182 K(o=0.18,f=-0.97) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.57) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 170:sc= -2.6! (180deg=-3.32!) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 52:sc= 1.26 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -38:sc= 1.14 USER MOD Single : A 62 ASN : amide:sc= 0.133 K(o=0.13,f=-2.8!) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -1.37 USER MOD Single : A 71 THR OG1 : rot -30:sc= -0.211 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= -4 X(o=-4,f=-3.6!) USER MOD Single : A 77 MET CE :methyl 162:sc= -0.457 (180deg=-1.51!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.0589 X(o=-0.059,f=-0.34) USER MOD Single : A 95 LYS NZ :NH3+ 164:sc= 0.007 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -155:sc= -0.247 (180deg=-1.31!) USER MOD Single : A 110 MET CE :methyl 147:sc= -0.441 (180deg=-1.65!) USER MOD ----------------------------------------------------------------- ATOM 185 N LYS A 16 -0.372 -3.231 -13.727 1.00 0.00 N ATOM 186 CA LYS A 16 -1.077 -1.970 -13.529 1.00 0.00 C ATOM 187 C LYS A 16 -0.092 -0.823 -13.325 1.00 0.00 C ATOM 188 O LYS A 16 1.082 -1.046 -13.029 1.00 0.00 O ATOM 189 CB LYS A 16 -2.015 -2.070 -12.324 1.00 0.00 C ATOM 190 CG LYS A 16 -3.197 -2.997 -12.550 1.00 0.00 C ATOM 191 CD LYS A 16 -4.089 -2.500 -13.675 1.00 0.00 C ATOM 192 CE LYS A 16 -5.531 -2.944 -13.479 1.00 0.00 C ATOM 193 NZ LYS A 16 -6.336 -2.777 -14.722 1.00 0.00 N ATOM 0 HA LYS A 16 -1.665 -1.767 -14.424 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.449 -2.420 -11.461 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.386 -1.075 -12.079 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.836 -3.998 -12.786 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.779 -3.077 -11.632 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.045 -1.412 -13.722 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.718 -2.876 -14.628 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.551 -3.989 -13.171 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.983 -2.366 -12.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.312 -3.090 -14.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.338 -1.775 -15.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.920 -3.349 -15.485 1.00 0.00 H new ATOM 207 N ILE A 17 -0.578 0.404 -13.484 1.00 0.00 N ATOM 208 CA ILE A 17 0.260 1.584 -13.315 1.00 0.00 C ATOM 209 C ILE A 17 0.332 2.002 -11.850 1.00 0.00 C ATOM 210 O ILE A 17 1.290 2.646 -11.424 1.00 0.00 O ATOM 211 CB ILE A 17 -0.262 2.769 -14.150 1.00 0.00 C ATOM 212 CG1 ILE A 17 0.702 3.953 -14.052 1.00 0.00 C ATOM 213 CG2 ILE A 17 -1.653 3.172 -13.686 1.00 0.00 C ATOM 214 CD1 ILE A 17 0.572 4.934 -15.197 1.00 0.00 C ATOM 0 H ILE A 17 -1.547 0.606 -13.729 1.00 0.00 H new ATOM 0 HA ILE A 17 1.257 1.315 -13.663 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.324 2.460 -15.193 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.526 4.478 -13.113 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.725 3.577 -14.021 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.008 4.010 -14.286 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.334 2.329 -13.802 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.616 3.466 -12.637 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.285 5.747 -15.062 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.777 4.424 -16.138 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.440 5.338 -15.216 1.00 0.00 H new ATOM 226 N TRP A 18 -0.687 1.630 -11.084 1.00 0.00 N ATOM 227 CA TRP A 18 -0.739 1.964 -9.665 1.00 0.00 C ATOM 228 C TRP A 18 0.006 0.926 -8.834 1.00 0.00 C ATOM 229 O TRP A 18 0.604 1.251 -7.808 1.00 0.00 O ATOM 230 CB TRP A 18 -2.192 2.065 -9.197 1.00 0.00 C ATOM 231 CG TRP A 18 -3.039 0.910 -9.638 1.00 0.00 C ATOM 232 CD1 TRP A 18 -3.818 0.847 -10.758 1.00 0.00 C ATOM 233 CD2 TRP A 18 -3.195 -0.345 -8.967 1.00 0.00 C ATOM 234 NE1 TRP A 18 -4.448 -0.373 -10.824 1.00 0.00 N ATOM 235 CE2 TRP A 18 -4.082 -1.122 -9.737 1.00 0.00 C ATOM 236 CE3 TRP A 18 -2.670 -0.889 -7.792 1.00 0.00 C ATOM 237 CZ2 TRP A 18 -4.454 -2.412 -9.368 1.00 0.00 C ATOM 238 CZ3 TRP A 18 -3.040 -2.169 -7.426 1.00 0.00 C ATOM 239 CH2 TRP A 18 -3.925 -2.919 -8.212 1.00 0.00 C ATOM 0 H TRP A 18 -1.489 1.097 -11.421 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.252 2.929 -9.526 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.212 2.127 -8.109 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -2.625 2.990 -9.577 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -3.924 1.639 -11.485 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.085 -0.672 -11.563 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -1.987 -0.319 -7.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -5.136 -2.992 -9.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -2.641 -2.598 -6.519 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.195 -3.917 -7.899 1.00 0.00 H new ATOM 250 N PHE A 19 -0.034 -0.324 -9.282 1.00 0.00 N ATOM 251 CA PHE A 19 0.638 -1.411 -8.578 1.00 0.00 C ATOM 252 C PHE A 19 2.150 -1.211 -8.585 1.00 0.00 C ATOM 253 O PHE A 19 2.705 -0.612 -9.508 1.00 0.00 O ATOM 254 CB PHE A 19 0.287 -2.755 -9.219 1.00 0.00 C ATOM 255 CG PHE A 19 0.864 -3.935 -8.490 1.00 0.00 C ATOM 256 CD1 PHE A 19 0.719 -4.057 -7.117 1.00 0.00 C ATOM 257 CD2 PHE A 19 1.550 -4.923 -9.177 1.00 0.00 C ATOM 258 CE1 PHE A 19 1.250 -5.141 -6.444 1.00 0.00 C ATOM 259 CE2 PHE A 19 2.083 -6.010 -8.510 1.00 0.00 C ATOM 260 CZ PHE A 19 1.931 -6.119 -7.141 1.00 0.00 C ATOM 0 H PHE A 19 -0.525 -0.610 -10.129 1.00 0.00 H new ATOM 0 HA PHE A 19 0.294 -1.408 -7.544 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.797 -2.857 -9.259 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.646 -2.763 -10.248 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.185 -3.296 -6.567 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.670 -4.843 -10.247 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.132 -5.223 -5.374 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.617 -6.772 -9.058 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.344 -6.968 -6.617 1.00 0.00 H new ATOM 270 N HIS A 20 2.813 -1.716 -7.550 1.00 0.00 N ATOM 271 CA HIS A 20 4.262 -1.593 -7.435 1.00 0.00 C ATOM 272 C HIS A 20 4.846 -2.765 -6.652 1.00 0.00 C ATOM 273 O HIS A 20 4.709 -2.838 -5.431 1.00 0.00 O ATOM 274 CB HIS A 20 4.631 -0.274 -6.755 1.00 0.00 C ATOM 275 CG HIS A 20 4.684 0.890 -7.695 1.00 0.00 C ATOM 276 ND1 HIS A 20 5.782 1.175 -8.480 1.00 0.00 N ATOM 277 CD2 HIS A 20 3.766 1.844 -7.976 1.00 0.00 C ATOM 278 CE1 HIS A 20 5.537 2.254 -9.201 1.00 0.00 C ATOM 279 NE2 HIS A 20 4.320 2.680 -8.914 1.00 0.00 N ATOM 0 H HIS A 20 2.370 -2.215 -6.778 1.00 0.00 H new ATOM 0 HA HIS A 20 4.684 -1.605 -8.440 1.00 0.00 H new ATOM 0 HB2 HIS A 20 3.905 -0.064 -5.970 1.00 0.00 H new ATOM 0 HB3 HIS A 20 5.601 -0.384 -6.270 1.00 0.00 H new ATOM 0 HD2 HIS A 20 2.781 1.932 -7.543 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.216 2.711 -9.906 1.00 0.00 H new ATOM 0 HE2 HIS A 20 3.866 3.497 -9.323 1.00 0.00 H new ATOM 287 N GLY A 21 5.498 -3.680 -7.363 1.00 0.00 N ATOM 288 CA GLY A 21 6.092 -4.836 -6.717 1.00 0.00 C ATOM 289 C GLY A 21 7.596 -4.893 -6.901 1.00 0.00 C ATOM 290 O GLY A 21 8.315 -5.408 -6.044 1.00 0.00 O ATOM 0 H GLY A 21 5.625 -3.641 -8.374 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.860 -4.813 -5.652 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.645 -5.744 -7.121 1.00 0.00 H new ATOM 294 N LYS A 22 8.074 -4.365 -8.022 1.00 0.00 N ATOM 295 CA LYS A 22 9.502 -4.357 -8.317 1.00 0.00 C ATOM 296 C LYS A 22 10.271 -3.565 -7.265 1.00 0.00 C ATOM 297 O LYS A 22 11.223 -4.068 -6.668 1.00 0.00 O ATOM 298 CB LYS A 22 9.754 -3.762 -9.704 1.00 0.00 C ATOM 299 CG LYS A 22 9.675 -4.782 -10.827 1.00 0.00 C ATOM 300 CD LYS A 22 9.723 -4.114 -12.191 1.00 0.00 C ATOM 301 CE LYS A 22 10.342 -5.028 -13.237 1.00 0.00 C ATOM 302 NZ LYS A 22 10.065 -4.554 -14.622 1.00 0.00 N ATOM 0 H LYS A 22 7.493 -3.936 -8.742 1.00 0.00 H new ATOM 0 HA LYS A 22 9.856 -5.388 -8.301 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.025 -2.973 -9.889 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.739 -3.296 -9.717 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.501 -5.488 -10.737 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.753 -5.356 -10.734 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.714 -3.838 -12.498 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.299 -3.191 -12.125 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.419 -5.082 -13.080 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.951 -6.038 -13.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.504 -5.204 -15.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.038 -4.527 -14.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.460 -3.600 -14.748 1.00 0.00 H new ATOM 316 N ILE A 23 9.851 -2.324 -7.041 1.00 0.00 N ATOM 317 CA ILE A 23 10.499 -1.464 -6.059 1.00 0.00 C ATOM 318 C ILE A 23 10.458 -2.090 -4.669 1.00 0.00 C ATOM 319 O ILE A 23 9.868 -3.152 -4.472 1.00 0.00 O ATOM 320 CB ILE A 23 9.837 -0.074 -6.004 1.00 0.00 C ATOM 321 CG1 ILE A 23 8.430 -0.179 -5.412 1.00 0.00 C ATOM 322 CG2 ILE A 23 9.789 0.545 -7.392 1.00 0.00 C ATOM 323 CD1 ILE A 23 7.896 1.136 -4.888 1.00 0.00 C ATOM 0 H ILE A 23 9.065 -1.892 -7.527 1.00 0.00 H new ATOM 0 HA ILE A 23 11.536 -1.351 -6.374 1.00 0.00 H new ATOM 0 HB ILE A 23 10.434 0.572 -5.361 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.751 -0.560 -6.175 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.439 -0.907 -4.601 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.319 1.527 -7.337 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.803 0.650 -7.779 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.211 -0.097 -8.057 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.895 0.987 -4.483 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.553 1.508 -4.102 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.854 1.861 -5.700 1.00 0.00 H new ATOM 335 N SER A 24 11.088 -1.423 -3.707 1.00 0.00 N ATOM 336 CA SER A 24 11.126 -1.914 -2.334 1.00 0.00 C ATOM 337 C SER A 24 10.251 -1.056 -1.426 1.00 0.00 C ATOM 338 O SER A 24 9.589 -0.123 -1.882 1.00 0.00 O ATOM 339 CB SER A 24 12.564 -1.925 -1.814 1.00 0.00 C ATOM 340 OG SER A 24 13.425 -2.609 -2.708 1.00 0.00 O ATOM 0 H SER A 24 11.579 -0.541 -3.853 1.00 0.00 H new ATOM 0 HA SER A 24 10.737 -2.932 -2.327 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.913 -0.901 -1.680 1.00 0.00 H new ATOM 0 HB3 SER A 24 12.596 -2.404 -0.835 1.00 0.00 H new ATOM 0 HG SER A 24 14.339 -2.600 -2.353 1.00 0.00 H new ATOM 346 N LYS A 25 10.253 -1.378 -0.137 1.00 0.00 N ATOM 347 CA LYS A 25 9.461 -0.638 0.839 1.00 0.00 C ATOM 348 C LYS A 25 9.968 0.794 0.977 1.00 0.00 C ATOM 349 O LYS A 25 9.189 1.745 0.925 1.00 0.00 O ATOM 350 CB LYS A 25 9.504 -1.339 2.198 1.00 0.00 C ATOM 351 CG LYS A 25 8.583 -0.716 3.233 1.00 0.00 C ATOM 352 CD LYS A 25 8.085 -1.748 4.230 1.00 0.00 C ATOM 353 CE LYS A 25 7.414 -1.090 5.426 1.00 0.00 C ATOM 354 NZ LYS A 25 6.976 -2.092 6.437 1.00 0.00 N ATOM 0 H LYS A 25 10.795 -2.147 0.257 1.00 0.00 H new ATOM 0 HA LYS A 25 8.430 -0.607 0.486 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.233 -2.386 2.066 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.526 -1.320 2.575 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.112 0.076 3.762 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.733 -0.252 2.733 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.380 -2.419 3.739 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.921 -2.359 4.571 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.106 -0.386 5.889 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.552 -0.515 5.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.524 -1.604 7.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.296 -2.749 6.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.802 -2.624 6.779 1.00 0.00 H new ATOM 368 N GLN A 26 11.278 0.939 1.152 1.00 0.00 N ATOM 369 CA GLN A 26 11.888 2.255 1.297 1.00 0.00 C ATOM 370 C GLN A 26 11.713 3.079 0.025 1.00 0.00 C ATOM 371 O GLN A 26 11.258 4.222 0.073 1.00 0.00 O ATOM 372 CB GLN A 26 13.375 2.118 1.628 1.00 0.00 C ATOM 373 CG GLN A 26 13.652 1.919 3.110 1.00 0.00 C ATOM 374 CD GLN A 26 13.134 0.591 3.627 1.00 0.00 C ATOM 375 OE1 GLN A 26 11.953 0.455 3.950 1.00 0.00 O ATOM 376 NE2 GLN A 26 14.016 -0.398 3.707 1.00 0.00 N ATOM 0 H GLN A 26 11.937 0.161 1.197 1.00 0.00 H new ATOM 0 HA GLN A 26 11.387 2.771 2.116 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.786 1.274 1.073 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.899 3.010 1.285 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.726 1.979 3.286 1.00 0.00 H new ATOM 0 HG3 GLN A 26 13.190 2.729 3.674 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.985 -0.241 3.429 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.725 -1.315 4.047 1.00 0.00 H new ATOM 385 N GLU A 27 12.076 2.491 -1.110 1.00 0.00 N ATOM 386 CA GLU A 27 11.960 3.173 -2.394 1.00 0.00 C ATOM 387 C GLU A 27 10.611 3.877 -2.516 1.00 0.00 C ATOM 388 O GLU A 27 10.539 5.037 -2.921 1.00 0.00 O ATOM 389 CB GLU A 27 12.133 2.177 -3.543 1.00 0.00 C ATOM 390 CG GLU A 27 13.579 1.783 -3.793 1.00 0.00 C ATOM 391 CD GLU A 27 13.801 1.233 -5.189 1.00 0.00 C ATOM 392 OE1 GLU A 27 13.054 1.630 -6.108 1.00 0.00 O ATOM 393 OE2 GLU A 27 14.720 0.406 -5.362 1.00 0.00 O ATOM 0 H GLU A 27 12.453 1.545 -1.167 1.00 0.00 H new ATOM 0 HA GLU A 27 12.749 3.923 -2.451 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.553 1.280 -3.326 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.720 2.611 -4.454 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.220 2.652 -3.643 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.880 1.035 -3.060 1.00 0.00 H new ATOM 400 N ALA A 28 9.545 3.166 -2.163 1.00 0.00 N ATOM 401 CA ALA A 28 8.200 3.721 -2.231 1.00 0.00 C ATOM 402 C ALA A 28 8.130 5.077 -1.538 1.00 0.00 C ATOM 403 O ALA A 28 7.644 6.054 -2.109 1.00 0.00 O ATOM 404 CB ALA A 28 7.198 2.757 -1.612 1.00 0.00 C ATOM 0 H ALA A 28 9.588 2.204 -1.827 1.00 0.00 H new ATOM 0 HA ALA A 28 7.947 3.865 -3.281 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.197 3.185 -1.670 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.220 1.812 -2.154 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.458 2.583 -0.568 1.00 0.00 H new ATOM 410 N TYR A 29 8.617 5.131 -0.303 1.00 0.00 N ATOM 411 CA TYR A 29 8.607 6.367 0.470 1.00 0.00 C ATOM 412 C TYR A 29 9.134 7.533 -0.361 1.00 0.00 C ATOM 413 O TYR A 29 8.636 8.654 -0.263 1.00 0.00 O ATOM 414 CB TYR A 29 9.449 6.208 1.737 1.00 0.00 C ATOM 415 CG TYR A 29 8.670 5.674 2.918 1.00 0.00 C ATOM 416 CD1 TYR A 29 7.572 6.363 3.420 1.00 0.00 C ATOM 417 CD2 TYR A 29 9.032 4.482 3.533 1.00 0.00 C ATOM 418 CE1 TYR A 29 6.858 5.880 4.499 1.00 0.00 C ATOM 419 CE2 TYR A 29 8.322 3.991 4.612 1.00 0.00 C ATOM 420 CZ TYR A 29 7.237 4.693 5.091 1.00 0.00 C ATOM 421 OH TYR A 29 6.528 4.208 6.167 1.00 0.00 O ATOM 0 H TYR A 29 9.024 4.333 0.184 1.00 0.00 H new ATOM 0 HA TYR A 29 7.576 6.581 0.752 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.282 5.536 1.528 1.00 0.00 H new ATOM 0 HB3 TYR A 29 9.878 7.174 2.002 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.272 7.292 2.958 1.00 0.00 H new ATOM 0 HD2 TYR A 29 9.883 3.930 3.162 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.008 6.428 4.877 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.616 3.062 5.078 1.00 0.00 H new ATOM 0 HH TYR A 29 6.924 3.363 6.465 1.00 0.00 H new ATOM 431 N ASN A 30 10.144 7.259 -1.179 1.00 0.00 N ATOM 432 CA ASN A 30 10.740 8.285 -2.028 1.00 0.00 C ATOM 433 C ASN A 30 9.896 8.514 -3.278 1.00 0.00 C ATOM 434 O ASN A 30 9.725 9.648 -3.726 1.00 0.00 O ATOM 435 CB ASN A 30 12.162 7.884 -2.426 1.00 0.00 C ATOM 436 CG ASN A 30 12.618 8.562 -3.703 1.00 0.00 C ATOM 437 OD1 ASN A 30 12.170 8.044 -4.840 1.00 0.00 O flip ATOM 438 ND2 ASN A 30 13.364 9.541 -3.667 1.00 0.00 N flip ATOM 0 H ASN A 30 10.567 6.336 -1.273 1.00 0.00 H new ATOM 0 HA ASN A 30 10.777 9.215 -1.460 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.848 8.138 -1.618 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.209 6.803 -2.555 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.684 9.906 -2.770 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.662 9.987 -4.534 1.00 0.00 H new ATOM 445 N LEU A 31 9.370 7.429 -3.837 1.00 0.00 N ATOM 446 CA LEU A 31 8.543 7.511 -5.036 1.00 0.00 C ATOM 447 C LEU A 31 7.345 8.427 -4.809 1.00 0.00 C ATOM 448 O LEU A 31 6.911 9.137 -5.718 1.00 0.00 O ATOM 449 CB LEU A 31 8.063 6.117 -5.444 1.00 0.00 C ATOM 450 CG LEU A 31 9.027 5.301 -6.307 1.00 0.00 C ATOM 451 CD1 LEU A 31 8.694 3.820 -6.225 1.00 0.00 C ATOM 452 CD2 LEU A 31 8.986 5.780 -7.751 1.00 0.00 C ATOM 0 H LEU A 31 9.502 6.483 -3.479 1.00 0.00 H new ATOM 0 HA LEU A 31 9.150 7.929 -5.839 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.848 5.549 -4.539 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.123 6.222 -5.985 1.00 0.00 H new ATOM 0 HG LEU A 31 10.038 5.446 -5.926 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.390 3.256 -6.845 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.776 3.485 -5.191 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.677 3.656 -6.580 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.678 5.188 -8.350 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.976 5.665 -8.144 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.275 6.830 -7.794 1.00 0.00 H new ATOM 464 N LEU A 32 6.815 8.409 -3.591 1.00 0.00 N ATOM 465 CA LEU A 32 5.667 9.240 -3.243 1.00 0.00 C ATOM 466 C LEU A 32 6.115 10.630 -2.803 1.00 0.00 C ATOM 467 O LEU A 32 5.290 11.501 -2.529 1.00 0.00 O ATOM 468 CB LEU A 32 4.852 8.578 -2.131 1.00 0.00 C ATOM 469 CG LEU A 32 3.767 7.600 -2.585 1.00 0.00 C ATOM 470 CD1 LEU A 32 3.354 6.691 -1.439 1.00 0.00 C ATOM 471 CD2 LEU A 32 2.563 8.355 -3.129 1.00 0.00 C ATOM 0 H LEU A 32 7.162 7.828 -2.828 1.00 0.00 H new ATOM 0 HA LEU A 32 5.042 9.344 -4.130 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.539 8.047 -1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.381 9.362 -1.537 1.00 0.00 H new ATOM 0 HG LEU A 32 4.175 6.981 -3.384 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.581 6.002 -1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.219 6.124 -1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.965 7.294 -0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.801 7.644 -3.447 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.155 8.999 -2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.869 8.964 -3.980 1.00 0.00 H new ATOM 483 N MET A 33 7.427 10.830 -2.738 1.00 0.00 N ATOM 484 CA MET A 33 7.985 12.116 -2.334 1.00 0.00 C ATOM 485 C MET A 33 8.625 12.828 -3.522 1.00 0.00 C ATOM 486 O MET A 33 8.876 14.033 -3.475 1.00 0.00 O ATOM 487 CB MET A 33 9.019 11.921 -1.224 1.00 0.00 C ATOM 488 CG MET A 33 8.425 11.969 0.175 1.00 0.00 C ATOM 489 SD MET A 33 8.406 13.636 0.864 1.00 0.00 S ATOM 490 CE MET A 33 7.387 14.487 -0.338 1.00 0.00 C ATOM 0 H MET A 33 8.124 10.119 -2.960 1.00 0.00 H new ATOM 0 HA MET A 33 7.171 12.735 -1.957 1.00 0.00 H new ATOM 0 HB2 MET A 33 9.516 10.961 -1.366 1.00 0.00 H new ATOM 0 HB3 MET A 33 9.784 12.692 -1.312 1.00 0.00 H new ATOM 0 HG2 MET A 33 7.407 11.580 0.147 1.00 0.00 H new ATOM 0 HG3 MET A 33 8.998 11.315 0.832 1.00 0.00 H new ATOM 0 HE1 MET A 33 7.134 15.479 0.037 1.00 0.00 H new ATOM 0 HE2 MET A 33 7.934 14.582 -1.276 1.00 0.00 H new ATOM 0 HE3 MET A 33 6.472 13.919 -0.507 1.00 0.00 H new ATOM 500 N THR A 34 8.887 12.076 -4.586 1.00 0.00 N ATOM 501 CA THR A 34 9.499 12.635 -5.785 1.00 0.00 C ATOM 502 C THR A 34 8.519 12.638 -6.952 1.00 0.00 C ATOM 503 O THR A 34 8.062 13.694 -7.390 1.00 0.00 O ATOM 504 CB THR A 34 10.760 11.850 -6.191 1.00 0.00 C ATOM 505 OG1 THR A 34 10.507 10.442 -6.112 1.00 0.00 O ATOM 506 CG2 THR A 34 11.934 12.210 -5.293 1.00 0.00 C ATOM 0 H THR A 34 8.685 11.078 -4.642 1.00 0.00 H new ATOM 0 HA THR A 34 9.780 13.661 -5.547 1.00 0.00 H new ATOM 0 HB THR A 34 11.013 12.117 -7.217 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.521 10.159 -5.174 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.813 11.643 -5.599 1.00 0.00 H new ATOM 0 HG22 THR A 34 12.143 13.277 -5.377 1.00 0.00 H new ATOM 0 HG23 THR A 34 11.688 11.969 -4.259 1.00 0.00 H new ATOM 514 N VAL A 35 8.198 11.449 -7.453 1.00 0.00 N ATOM 515 CA VAL A 35 7.270 11.315 -8.569 1.00 0.00 C ATOM 516 C VAL A 35 5.824 11.426 -8.098 1.00 0.00 C ATOM 517 O VAL A 35 4.940 11.815 -8.860 1.00 0.00 O ATOM 518 CB VAL A 35 7.459 9.971 -9.298 1.00 0.00 C ATOM 519 CG1 VAL A 35 8.867 9.862 -9.861 1.00 0.00 C ATOM 520 CG2 VAL A 35 7.159 8.811 -8.361 1.00 0.00 C ATOM 0 H VAL A 35 8.567 10.565 -7.103 1.00 0.00 H new ATOM 0 HA VAL A 35 7.487 12.129 -9.261 1.00 0.00 H new ATOM 0 HB VAL A 35 6.757 9.927 -10.131 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.981 8.906 -10.372 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.040 10.674 -10.567 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.590 9.927 -9.048 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.297 7.869 -8.892 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.835 8.849 -7.507 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.129 8.883 -8.012 1.00 0.00 H new ATOM 530 N GLY A 36 5.591 11.082 -6.835 1.00 0.00 N ATOM 531 CA GLY A 36 4.250 11.151 -6.283 1.00 0.00 C ATOM 532 C GLY A 36 3.990 12.454 -5.553 1.00 0.00 C ATOM 533 O GLY A 36 4.917 13.216 -5.282 1.00 0.00 O ATOM 0 H GLY A 36 6.306 10.757 -6.184 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.523 11.037 -7.087 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.099 10.317 -5.597 1.00 0.00 H new ATOM 537 N GLN A 37 2.725 12.710 -5.236 1.00 0.00 N ATOM 538 CA GLN A 37 2.346 13.931 -4.535 1.00 0.00 C ATOM 539 C GLN A 37 1.334 13.634 -3.433 1.00 0.00 C ATOM 540 O GLN A 37 0.963 12.482 -3.210 1.00 0.00 O ATOM 541 CB GLN A 37 1.763 14.948 -5.518 1.00 0.00 C ATOM 542 CG GLN A 37 2.004 16.393 -5.113 1.00 0.00 C ATOM 543 CD GLN A 37 2.105 17.324 -6.305 1.00 0.00 C ATOM 544 OE1 GLN A 37 3.180 17.506 -6.877 1.00 0.00 O ATOM 545 NE2 GLN A 37 0.981 17.922 -6.686 1.00 0.00 N ATOM 0 H GLN A 37 1.946 12.089 -5.453 1.00 0.00 H new ATOM 0 HA GLN A 37 3.242 14.350 -4.077 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.197 14.778 -6.503 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.690 14.779 -5.609 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.193 16.725 -4.465 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.923 16.455 -4.530 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.112 17.742 -6.183 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.987 18.561 -7.481 1.00 0.00 H new ATOM 554 N VAL A 38 0.892 14.682 -2.745 1.00 0.00 N ATOM 555 CA VAL A 38 -0.077 14.534 -1.666 1.00 0.00 C ATOM 556 C VAL A 38 -1.403 13.992 -2.188 1.00 0.00 C ATOM 557 O VAL A 38 -2.284 13.622 -1.411 1.00 0.00 O ATOM 558 CB VAL A 38 -0.330 15.875 -0.951 1.00 0.00 C ATOM 559 CG1 VAL A 38 -1.374 15.708 0.143 1.00 0.00 C ATOM 560 CG2 VAL A 38 0.968 16.427 -0.380 1.00 0.00 C ATOM 0 H VAL A 38 1.190 15.643 -2.916 1.00 0.00 H new ATOM 0 HA VAL A 38 0.347 13.825 -0.955 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.713 16.589 -1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.540 16.665 0.637 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.309 15.360 -0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.023 14.979 0.873 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.771 17.374 0.122 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.382 15.717 0.336 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.682 16.586 -1.188 1.00 0.00 H new ATOM 570 N CYS A 39 -1.538 13.946 -3.509 1.00 0.00 N ATOM 571 CA CYS A 39 -2.757 13.448 -4.136 1.00 0.00 C ATOM 572 C CYS A 39 -2.469 12.208 -4.975 1.00 0.00 C ATOM 573 O CYS A 39 -3.164 11.933 -5.954 1.00 0.00 O ATOM 574 CB CYS A 39 -3.386 14.535 -5.009 1.00 0.00 C ATOM 575 SG CYS A 39 -3.470 16.159 -4.220 1.00 0.00 S ATOM 0 H CYS A 39 -0.819 14.247 -4.166 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.458 13.175 -3.347 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.813 14.621 -5.932 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.394 14.225 -5.286 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.015 17.011 -5.037 1.00 0.00 H new ATOM 581 N SER A 40 -1.440 11.462 -4.586 1.00 0.00 N ATOM 582 CA SER A 40 -1.056 10.253 -5.306 1.00 0.00 C ATOM 583 C SER A 40 -0.922 9.072 -4.350 1.00 0.00 C ATOM 584 O SER A 40 -0.467 9.224 -3.216 1.00 0.00 O ATOM 585 CB SER A 40 0.262 10.474 -6.051 1.00 0.00 C ATOM 586 OG SER A 40 0.370 9.604 -7.164 1.00 0.00 O ATOM 0 H SER A 40 -0.857 11.673 -3.776 1.00 0.00 H new ATOM 0 HA SER A 40 -1.839 10.026 -6.029 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.324 11.509 -6.387 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.099 10.308 -5.373 1.00 0.00 H new ATOM 0 HG SER A 40 -0.437 9.677 -7.716 1.00 0.00 H new ATOM 592 N PHE A 41 -1.321 7.893 -4.816 1.00 0.00 N ATOM 593 CA PHE A 41 -1.246 6.685 -4.004 1.00 0.00 C ATOM 594 C PHE A 41 -0.603 5.543 -4.785 1.00 0.00 C ATOM 595 O PHE A 41 -0.301 5.680 -5.972 1.00 0.00 O ATOM 596 CB PHE A 41 -2.643 6.273 -3.535 1.00 0.00 C ATOM 597 CG PHE A 41 -3.365 5.385 -4.507 1.00 0.00 C ATOM 598 CD1 PHE A 41 -3.702 5.847 -5.769 1.00 0.00 C ATOM 599 CD2 PHE A 41 -3.705 4.087 -4.160 1.00 0.00 C ATOM 600 CE1 PHE A 41 -4.367 5.032 -6.666 1.00 0.00 C ATOM 601 CE2 PHE A 41 -4.369 3.267 -5.053 1.00 0.00 C ATOM 602 CZ PHE A 41 -4.700 3.740 -6.308 1.00 0.00 C ATOM 0 H PHE A 41 -1.700 7.749 -5.752 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.626 6.901 -3.134 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.559 5.758 -2.578 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.239 7.169 -3.363 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.442 6.855 -6.055 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.448 3.712 -3.180 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.626 5.405 -7.646 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.629 2.258 -4.770 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.218 3.101 -7.008 1.00 0.00 H new ATOM 612 N LEU A 42 -0.395 4.416 -4.112 1.00 0.00 N ATOM 613 CA LEU A 42 0.213 3.249 -4.742 1.00 0.00 C ATOM 614 C LEU A 42 -0.027 1.994 -3.909 1.00 0.00 C ATOM 615 O LEU A 42 -0.282 2.073 -2.708 1.00 0.00 O ATOM 616 CB LEU A 42 1.715 3.471 -4.930 1.00 0.00 C ATOM 617 CG LEU A 42 2.550 3.530 -3.650 1.00 0.00 C ATOM 618 CD1 LEU A 42 2.963 2.132 -3.217 1.00 0.00 C ATOM 619 CD2 LEU A 42 3.774 4.412 -3.853 1.00 0.00 C ATOM 0 H LEU A 42 -0.639 4.286 -3.130 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.252 3.110 -5.718 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.105 2.670 -5.558 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.859 4.403 -5.477 1.00 0.00 H new ATOM 0 HG LEU A 42 1.939 3.966 -2.860 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.556 2.194 -2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.073 1.531 -3.031 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.556 1.668 -4.005 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.357 4.443 -2.932 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.387 4.004 -4.657 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.456 5.421 -4.115 1.00 0.00 H new ATOM 631 N VAL A 43 0.058 0.836 -4.556 1.00 0.00 N ATOM 632 CA VAL A 43 -0.146 -0.437 -3.875 1.00 0.00 C ATOM 633 C VAL A 43 1.082 -1.331 -4.001 1.00 0.00 C ATOM 634 O VAL A 43 1.751 -1.342 -5.034 1.00 0.00 O ATOM 635 CB VAL A 43 -1.371 -1.183 -4.436 1.00 0.00 C ATOM 636 CG1 VAL A 43 -1.673 -2.418 -3.601 1.00 0.00 C ATOM 637 CG2 VAL A 43 -2.578 -0.259 -4.493 1.00 0.00 C ATOM 0 H VAL A 43 0.267 0.753 -5.551 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.319 -0.209 -2.823 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.143 -1.508 -5.451 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.542 -2.932 -4.013 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.813 -3.088 -3.618 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.881 -2.120 -2.573 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.434 -0.803 -4.892 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.810 0.098 -3.490 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.355 0.591 -5.138 1.00 0.00 H new ATOM 647 N ARG A 44 1.372 -2.080 -2.942 1.00 0.00 N ATOM 648 CA ARG A 44 2.521 -2.978 -2.934 1.00 0.00 C ATOM 649 C ARG A 44 2.184 -4.287 -2.225 1.00 0.00 C ATOM 650 O ARG A 44 1.390 -4.325 -1.285 1.00 0.00 O ATOM 651 CB ARG A 44 3.714 -2.308 -2.250 1.00 0.00 C ATOM 652 CG ARG A 44 3.829 -0.822 -2.545 1.00 0.00 C ATOM 653 CD ARG A 44 5.106 -0.235 -1.963 1.00 0.00 C ATOM 654 NE ARG A 44 6.216 -1.184 -2.012 1.00 0.00 N ATOM 655 CZ ARG A 44 6.433 -2.109 -1.083 1.00 0.00 C ATOM 656 NH1 ARG A 44 5.621 -2.209 -0.040 1.00 0.00 N ATOM 657 NH2 ARG A 44 7.464 -2.936 -1.198 1.00 0.00 N ATOM 0 H ARG A 44 0.828 -2.083 -2.079 1.00 0.00 H new ATOM 0 HA ARG A 44 2.782 -3.202 -3.968 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.631 -2.451 -1.173 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.631 -2.805 -2.568 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.812 -0.662 -3.623 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.966 -0.300 -2.131 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.375 0.666 -2.514 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.930 0.064 -0.930 1.00 0.00 H new ATOM 0 HE ARG A 44 6.859 -1.134 -2.802 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.827 -1.575 0.051 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.790 -2.920 0.672 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.090 -2.862 -2.000 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.630 -3.646 -0.485 1.00 0.00 H new ATOM 671 N PRO A 45 2.799 -5.386 -2.686 1.00 0.00 N ATOM 672 CA PRO A 45 2.579 -6.716 -2.111 1.00 0.00 C ATOM 673 C PRO A 45 3.176 -6.849 -0.714 1.00 0.00 C ATOM 674 O PRO A 45 4.355 -6.568 -0.503 1.00 0.00 O ATOM 675 CB PRO A 45 3.297 -7.648 -3.090 1.00 0.00 C ATOM 676 CG PRO A 45 4.341 -6.798 -3.728 1.00 0.00 C ATOM 677 CD PRO A 45 3.757 -5.414 -3.805 1.00 0.00 C ATOM 0 HA PRO A 45 1.519 -6.938 -1.989 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.741 -8.499 -2.573 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.607 -8.050 -3.832 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.260 -6.802 -3.141 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.595 -7.170 -4.720 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.524 -4.647 -3.697 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.264 -5.238 -4.761 1.00 0.00 H new ATOM 685 N SER A 46 2.353 -7.280 0.237 1.00 0.00 N ATOM 686 CA SER A 46 2.799 -7.447 1.615 1.00 0.00 C ATOM 687 C SER A 46 3.994 -8.393 1.688 1.00 0.00 C ATOM 688 O SER A 46 3.871 -9.588 1.422 1.00 0.00 O ATOM 689 CB SER A 46 1.657 -7.982 2.481 1.00 0.00 C ATOM 690 OG SER A 46 0.851 -6.925 2.972 1.00 0.00 O ATOM 0 H SER A 46 1.374 -7.520 0.078 1.00 0.00 H new ATOM 0 HA SER A 46 3.106 -6.472 1.993 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.045 -8.669 1.897 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.066 -8.550 3.317 1.00 0.00 H new ATOM 0 HG SER A 46 0.468 -7.180 3.837 1.00 0.00 H new ATOM 757 N ASP A 52 -1.238 -10.668 1.087 1.00 0.00 N ATOM 758 CA ASP A 52 -1.779 -9.400 1.561 1.00 0.00 C ATOM 759 C ASP A 52 -1.274 -8.241 0.707 1.00 0.00 C ATOM 760 O ASP A 52 -0.465 -8.432 -0.202 1.00 0.00 O ATOM 761 CB ASP A 52 -1.400 -9.174 3.025 1.00 0.00 C ATOM 762 CG ASP A 52 -2.333 -9.890 3.982 1.00 0.00 C ATOM 763 OD1 ASP A 52 -2.648 -11.071 3.730 1.00 0.00 O ATOM 764 OD2 ASP A 52 -2.749 -9.267 4.982 1.00 0.00 O ATOM 0 HA ASP A 52 -2.865 -9.443 1.478 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.380 -9.519 3.191 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.414 -8.106 3.240 1.00 0.00 H new ATOM 769 N TYR A 53 -1.756 -7.040 1.005 1.00 0.00 N ATOM 770 CA TYR A 53 -1.357 -5.850 0.263 1.00 0.00 C ATOM 771 C TYR A 53 -1.179 -4.658 1.199 1.00 0.00 C ATOM 772 O TYR A 53 -1.653 -4.670 2.334 1.00 0.00 O ATOM 773 CB TYR A 53 -2.395 -5.520 -0.810 1.00 0.00 C ATOM 774 CG TYR A 53 -2.406 -6.497 -1.964 1.00 0.00 C ATOM 775 CD1 TYR A 53 -1.487 -6.388 -3.000 1.00 0.00 C ATOM 776 CD2 TYR A 53 -3.336 -7.528 -2.018 1.00 0.00 C ATOM 777 CE1 TYR A 53 -1.493 -7.278 -4.057 1.00 0.00 C ATOM 778 CE2 TYR A 53 -3.348 -8.423 -3.070 1.00 0.00 C ATOM 779 CZ TYR A 53 -2.426 -8.294 -4.087 1.00 0.00 C ATOM 780 OH TYR A 53 -2.436 -9.183 -5.137 1.00 0.00 O ATOM 0 H TYR A 53 -2.424 -6.864 1.756 1.00 0.00 H new ATOM 0 HA TYR A 53 -0.401 -6.057 -0.218 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.384 -5.500 -0.353 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.202 -4.519 -1.195 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.755 -5.594 -2.979 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.061 -7.631 -1.224 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.772 -7.179 -4.855 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.076 -9.220 -3.096 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.154 -9.837 -5.005 1.00 0.00 H new ATOM 790 N SER A 54 -0.492 -3.629 0.712 1.00 0.00 N ATOM 791 CA SER A 54 -0.248 -2.430 1.505 1.00 0.00 C ATOM 792 C SER A 54 -0.256 -1.185 0.623 1.00 0.00 C ATOM 793 O SER A 54 0.522 -1.077 -0.326 1.00 0.00 O ATOM 794 CB SER A 54 1.091 -2.541 2.237 1.00 0.00 C ATOM 795 OG SER A 54 0.986 -3.392 3.365 1.00 0.00 O ATOM 0 H SER A 54 -0.095 -3.602 -0.227 1.00 0.00 H new ATOM 0 HA SER A 54 -1.049 -2.340 2.239 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.850 -2.926 1.556 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.419 -1.551 2.554 1.00 0.00 H new ATOM 0 HG SER A 54 0.119 -3.848 3.351 1.00 0.00 H new ATOM 801 N LEU A 55 -1.141 -0.248 0.942 1.00 0.00 N ATOM 802 CA LEU A 55 -1.253 0.991 0.180 1.00 0.00 C ATOM 803 C LEU A 55 -0.416 2.098 0.814 1.00 0.00 C ATOM 804 O LEU A 55 -0.028 2.007 1.979 1.00 0.00 O ATOM 805 CB LEU A 55 -2.716 1.429 0.093 1.00 0.00 C ATOM 806 CG LEU A 55 -3.058 2.407 -1.032 1.00 0.00 C ATOM 807 CD1 LEU A 55 -4.518 2.269 -1.434 1.00 0.00 C ATOM 808 CD2 LEU A 55 -2.753 3.836 -0.607 1.00 0.00 C ATOM 0 H LEU A 55 -1.792 -0.322 1.724 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.875 0.805 -0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.334 0.539 -0.026 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.995 1.887 1.042 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.440 2.166 -1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.743 2.973 -2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.706 1.253 -1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.154 2.483 -0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.002 4.518 -1.420 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.345 4.088 0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.693 3.927 -0.370 1.00 0.00 H new ATOM 820 N TYR A 56 -0.143 3.142 0.040 1.00 0.00 N ATOM 821 CA TYR A 56 0.648 4.267 0.525 1.00 0.00 C ATOM 822 C TYR A 56 0.158 5.579 -0.079 1.00 0.00 C ATOM 823 O TYR A 56 0.106 5.733 -1.300 1.00 0.00 O ATOM 824 CB TYR A 56 2.126 4.059 0.191 1.00 0.00 C ATOM 825 CG TYR A 56 2.801 3.017 1.054 1.00 0.00 C ATOM 826 CD1 TYR A 56 3.174 3.304 2.361 1.00 0.00 C ATOM 827 CD2 TYR A 56 3.066 1.745 0.562 1.00 0.00 C ATOM 828 CE1 TYR A 56 3.792 2.355 3.152 1.00 0.00 C ATOM 829 CE2 TYR A 56 3.682 0.789 1.346 1.00 0.00 C ATOM 830 CZ TYR A 56 4.043 1.099 2.641 1.00 0.00 C ATOM 831 OH TYR A 56 4.657 0.150 3.426 1.00 0.00 O ATOM 0 H TYR A 56 -0.458 3.233 -0.926 1.00 0.00 H new ATOM 0 HA TYR A 56 0.531 4.321 1.607 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.216 3.766 -0.855 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.652 5.007 0.303 1.00 0.00 H new ATOM 0 HD1 TYR A 56 2.977 4.286 2.766 1.00 0.00 H new ATOM 0 HD2 TYR A 56 2.785 1.499 -0.452 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.077 2.596 4.166 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.880 -0.195 0.948 1.00 0.00 H new ATOM 0 HH TYR A 56 4.759 -0.680 2.916 1.00 0.00 H new ATOM 841 N PHE A 57 -0.200 6.523 0.785 1.00 0.00 N ATOM 842 CA PHE A 57 -0.687 7.824 0.338 1.00 0.00 C ATOM 843 C PHE A 57 0.051 8.954 1.049 1.00 0.00 C ATOM 844 O PHE A 57 0.382 8.848 2.230 1.00 0.00 O ATOM 845 CB PHE A 57 -2.191 7.943 0.590 1.00 0.00 C ATOM 846 CG PHE A 57 -2.801 9.183 0.002 1.00 0.00 C ATOM 847 CD1 PHE A 57 -2.773 9.404 -1.365 1.00 0.00 C ATOM 848 CD2 PHE A 57 -3.401 10.129 0.818 1.00 0.00 C ATOM 849 CE1 PHE A 57 -3.334 10.544 -1.909 1.00 0.00 C ATOM 850 CE2 PHE A 57 -3.964 11.271 0.279 1.00 0.00 C ATOM 851 CZ PHE A 57 -3.929 11.480 -1.086 1.00 0.00 C ATOM 0 H PHE A 57 -0.162 6.412 1.798 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.498 7.907 -0.732 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.691 7.069 0.173 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.373 7.933 1.665 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.307 8.677 -2.014 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.429 9.972 1.886 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.307 10.703 -2.977 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.431 12.000 0.925 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.366 12.373 -1.508 1.00 0.00 H new ATOM 861 N ARG A 58 0.306 10.036 0.320 1.00 0.00 N ATOM 862 CA ARG A 58 1.006 11.186 0.880 1.00 0.00 C ATOM 863 C ARG A 58 0.018 12.200 1.450 1.00 0.00 C ATOM 864 O ARG A 58 -1.017 12.482 0.846 1.00 0.00 O ATOM 865 CB ARG A 58 1.875 11.851 -0.189 1.00 0.00 C ATOM 866 CG ARG A 58 2.528 13.143 0.273 1.00 0.00 C ATOM 867 CD ARG A 58 3.622 12.880 1.296 1.00 0.00 C ATOM 868 NE ARG A 58 4.199 14.118 1.812 1.00 0.00 N ATOM 869 CZ ARG A 58 5.385 14.185 2.406 1.00 0.00 C ATOM 870 NH1 ARG A 58 6.116 13.090 2.559 1.00 0.00 N ATOM 871 NH2 ARG A 58 5.842 15.349 2.849 1.00 0.00 N ATOM 0 H ARG A 58 0.039 10.140 -0.659 1.00 0.00 H new ATOM 0 HA ARG A 58 1.644 10.832 1.689 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.652 11.152 -0.500 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.262 12.057 -1.066 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.949 13.666 -0.585 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.773 13.799 0.707 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.213 12.299 2.122 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.407 12.277 0.840 1.00 0.00 H new ATOM 0 HE ARG A 58 3.662 14.979 1.711 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.768 12.193 2.220 1.00 0.00 H new ATOM 0 HH12 ARG A 58 7.027 13.144 3.016 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.282 16.194 2.734 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.753 15.399 3.305 1.00 0.00 H new ATOM 885 N THR A 59 0.344 12.743 2.619 1.00 0.00 N ATOM 886 CA THR A 59 -0.514 13.724 3.272 1.00 0.00 C ATOM 887 C THR A 59 0.283 14.945 3.714 1.00 0.00 C ATOM 888 O THR A 59 1.488 15.030 3.479 1.00 0.00 O ATOM 889 CB THR A 59 -1.227 13.119 4.496 1.00 0.00 C ATOM 890 OG1 THR A 59 -0.285 12.902 5.553 1.00 0.00 O ATOM 891 CG2 THR A 59 -1.903 11.805 4.135 1.00 0.00 C ATOM 0 H THR A 59 1.196 12.520 3.133 1.00 0.00 H new ATOM 0 HA THR A 59 -1.261 14.028 2.539 1.00 0.00 H new ATOM 0 HB THR A 59 -1.991 13.822 4.828 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.565 12.593 5.175 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.400 11.397 5.016 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.640 11.978 3.351 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.155 11.096 3.780 1.00 0.00 H new ATOM 899 N ASN A 60 -0.397 15.890 4.355 1.00 0.00 N ATOM 900 CA ASN A 60 0.249 17.108 4.831 1.00 0.00 C ATOM 901 C ASN A 60 1.457 16.778 5.703 1.00 0.00 C ATOM 902 O ASN A 60 2.574 17.210 5.422 1.00 0.00 O ATOM 903 CB ASN A 60 -0.745 17.963 5.619 1.00 0.00 C ATOM 904 CG ASN A 60 -1.701 17.125 6.445 1.00 0.00 C ATOM 905 OD1 ASN A 60 -2.740 16.606 5.801 1.00 0.00 O flip ATOM 906 ND2 ASN A 60 -1.508 16.946 7.647 1.00 0.00 N flip ATOM 0 H ASN A 60 -1.395 15.836 4.557 1.00 0.00 H new ATOM 0 HA ASN A 60 0.593 17.670 3.963 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.198 18.639 6.276 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.315 18.583 4.927 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.696 17.364 8.101 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.160 16.379 8.189 1.00 0.00 H new ATOM 913 N GLU A 61 1.223 16.010 6.762 1.00 0.00 N ATOM 914 CA GLU A 61 2.291 15.623 7.676 1.00 0.00 C ATOM 915 C GLU A 61 3.313 14.734 6.972 1.00 0.00 C ATOM 916 O GLU A 61 4.488 15.083 6.868 1.00 0.00 O ATOM 917 CB GLU A 61 1.715 14.893 8.891 1.00 0.00 C ATOM 918 CG GLU A 61 2.664 14.840 10.076 1.00 0.00 C ATOM 919 CD GLU A 61 3.683 13.724 9.958 1.00 0.00 C ATOM 920 OE1 GLU A 61 3.291 12.546 10.089 1.00 0.00 O ATOM 921 OE2 GLU A 61 4.874 14.029 9.735 1.00 0.00 O ATOM 0 H GLU A 61 0.304 15.644 7.008 1.00 0.00 H new ATOM 0 HA GLU A 61 2.793 16.530 8.012 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.793 15.386 9.197 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.451 13.876 8.602 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.184 15.794 10.163 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.088 14.706 10.992 1.00 0.00 H new ATOM 928 N ASN A 62 2.855 13.582 6.491 1.00 0.00 N ATOM 929 CA ASN A 62 3.728 12.642 5.798 1.00 0.00 C ATOM 930 C ASN A 62 2.922 11.499 5.188 1.00 0.00 C ATOM 931 O ASN A 62 1.698 11.455 5.311 1.00 0.00 O ATOM 932 CB ASN A 62 4.777 12.083 6.762 1.00 0.00 C ATOM 933 CG ASN A 62 6.069 11.713 6.059 1.00 0.00 C ATOM 934 OD1 ASN A 62 6.229 10.589 5.583 1.00 0.00 O ATOM 935 ND2 ASN A 62 6.998 12.659 5.990 1.00 0.00 N ATOM 0 H ASN A 62 1.885 13.278 6.569 1.00 0.00 H new ATOM 0 HA ASN A 62 4.232 13.178 4.993 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.986 12.822 7.536 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.374 11.203 7.263 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.887 12.468 5.528 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.822 13.577 6.399 1.00 0.00 H new ATOM 942 N ILE A 63 3.617 10.577 4.532 1.00 0.00 N ATOM 943 CA ILE A 63 2.967 9.433 3.904 1.00 0.00 C ATOM 944 C ILE A 63 2.449 8.453 4.951 1.00 0.00 C ATOM 945 O ILE A 63 3.149 8.127 5.909 1.00 0.00 O ATOM 946 CB ILE A 63 3.925 8.693 2.953 1.00 0.00 C ATOM 947 CG1 ILE A 63 4.300 9.590 1.772 1.00 0.00 C ATOM 948 CG2 ILE A 63 3.290 7.400 2.462 1.00 0.00 C ATOM 949 CD1 ILE A 63 5.480 9.079 0.975 1.00 0.00 C ATOM 0 H ILE A 63 4.631 10.599 4.421 1.00 0.00 H new ATOM 0 HA ILE A 63 2.128 9.823 3.328 1.00 0.00 H new ATOM 0 HB ILE A 63 4.835 8.444 3.499 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.439 9.685 1.110 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.528 10.589 2.143 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.979 6.888 1.791 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.069 6.757 3.314 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.367 7.627 1.929 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.689 9.765 0.154 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.354 9.011 1.622 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.248 8.093 0.574 1.00 0.00 H new ATOM 961 N GLN A 64 1.220 7.986 4.759 1.00 0.00 N ATOM 962 CA GLN A 64 0.609 7.041 5.687 1.00 0.00 C ATOM 963 C GLN A 64 0.786 5.607 5.199 1.00 0.00 C ATOM 964 O GLN A 64 1.389 5.367 4.153 1.00 0.00 O ATOM 965 CB GLN A 64 -0.879 7.353 5.860 1.00 0.00 C ATOM 966 CG GLN A 64 -1.146 8.667 6.575 1.00 0.00 C ATOM 967 CD GLN A 64 -2.514 8.710 7.227 1.00 0.00 C ATOM 968 OE1 GLN A 64 -2.635 8.621 8.449 1.00 0.00 O ATOM 969 NE2 GLN A 64 -3.554 8.846 6.412 1.00 0.00 N ATOM 0 H GLN A 64 0.628 8.246 3.970 1.00 0.00 H new ATOM 0 HA GLN A 64 1.109 7.142 6.650 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.352 7.380 4.879 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.349 6.543 6.418 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.381 8.825 7.335 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.062 9.488 5.862 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.407 8.916 5.405 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.500 8.880 6.793 1.00 0.00 H new ATOM 978 N ARG A 65 0.259 4.657 5.964 1.00 0.00 N ATOM 979 CA ARG A 65 0.361 3.246 5.611 1.00 0.00 C ATOM 980 C ARG A 65 -0.926 2.504 5.961 1.00 0.00 C ATOM 981 O ARG A 65 -1.301 2.408 7.129 1.00 0.00 O ATOM 982 CB ARG A 65 1.546 2.602 6.331 1.00 0.00 C ATOM 983 CG ARG A 65 1.794 1.158 5.927 1.00 0.00 C ATOM 984 CD ARG A 65 3.099 0.634 6.505 1.00 0.00 C ATOM 985 NE ARG A 65 2.922 0.085 7.846 1.00 0.00 N ATOM 986 CZ ARG A 65 2.945 0.822 8.951 1.00 0.00 C ATOM 987 NH1 ARG A 65 3.137 2.132 8.874 1.00 0.00 N ATOM 988 NH2 ARG A 65 2.776 0.249 10.136 1.00 0.00 N ATOM 0 H ARG A 65 -0.243 4.839 6.833 1.00 0.00 H new ATOM 0 HA ARG A 65 0.519 3.177 4.535 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.444 3.186 6.129 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.373 2.645 7.406 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.967 0.536 6.270 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.820 1.083 4.840 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.503 -0.137 5.848 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.831 1.441 6.537 1.00 0.00 H new ATOM 0 HE ARG A 65 2.772 -0.920 7.940 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.267 2.576 7.965 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.154 2.696 9.724 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.628 -0.758 10.199 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.794 0.816 10.984 1.00 0.00 H new ATOM 1002 N PHE A 66 -1.597 1.980 4.940 1.00 0.00 N ATOM 1003 CA PHE A 66 -2.842 1.247 5.140 1.00 0.00 C ATOM 1004 C PHE A 66 -2.579 -0.252 5.250 1.00 0.00 C ATOM 1005 O PHE A 66 -1.452 -0.712 5.062 1.00 0.00 O ATOM 1006 CB PHE A 66 -3.811 1.523 3.988 1.00 0.00 C ATOM 1007 CG PHE A 66 -4.299 2.943 3.943 1.00 0.00 C ATOM 1008 CD1 PHE A 66 -5.268 3.384 4.829 1.00 0.00 C ATOM 1009 CD2 PHE A 66 -3.789 3.835 3.014 1.00 0.00 C ATOM 1010 CE1 PHE A 66 -5.720 4.690 4.791 1.00 0.00 C ATOM 1011 CE2 PHE A 66 -4.237 5.142 2.971 1.00 0.00 C ATOM 1012 CZ PHE A 66 -5.204 5.570 3.860 1.00 0.00 C ATOM 0 H PHE A 66 -1.300 2.049 3.967 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.290 1.589 6.073 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.319 1.286 3.045 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.668 0.855 4.077 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.675 2.699 5.558 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.033 3.506 2.316 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.475 5.021 5.488 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.831 5.828 2.243 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.556 6.591 3.827 1.00 0.00 H new ATOM 1022 N LYS A 67 -3.627 -1.009 5.556 1.00 0.00 N ATOM 1023 CA LYS A 67 -3.512 -2.457 5.691 1.00 0.00 C ATOM 1024 C LYS A 67 -4.694 -3.160 5.032 1.00 0.00 C ATOM 1025 O LYS A 67 -5.833 -3.034 5.482 1.00 0.00 O ATOM 1026 CB LYS A 67 -3.432 -2.847 7.169 1.00 0.00 C ATOM 1027 CG LYS A 67 -2.058 -2.635 7.780 1.00 0.00 C ATOM 1028 CD LYS A 67 -2.108 -2.693 9.298 1.00 0.00 C ATOM 1029 CE LYS A 67 -1.937 -4.116 9.808 1.00 0.00 C ATOM 1030 NZ LYS A 67 -1.732 -4.156 11.282 1.00 0.00 N ATOM 0 H LYS A 67 -4.566 -0.644 5.715 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.598 -2.773 5.188 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.164 -2.265 7.730 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.710 -3.896 7.275 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.372 -3.396 7.408 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.664 -1.669 7.465 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.324 -2.060 9.713 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.060 -2.292 9.647 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.818 -4.703 9.548 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.086 -4.580 9.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.620 -5.143 11.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.877 -3.617 11.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.556 -3.736 11.759 1.00 0.00 H new ATOM 1044 N ILE A 68 -4.416 -3.901 3.965 1.00 0.00 N ATOM 1045 CA ILE A 68 -5.456 -4.626 3.246 1.00 0.00 C ATOM 1046 C ILE A 68 -5.340 -6.129 3.480 1.00 0.00 C ATOM 1047 O ILE A 68 -4.574 -6.815 2.803 1.00 0.00 O ATOM 1048 CB ILE A 68 -5.394 -4.347 1.733 1.00 0.00 C ATOM 1049 CG1 ILE A 68 -5.440 -2.841 1.468 1.00 0.00 C ATOM 1050 CG2 ILE A 68 -6.537 -5.051 1.017 1.00 0.00 C ATOM 1051 CD1 ILE A 68 -5.110 -2.469 0.039 1.00 0.00 C ATOM 0 H ILE A 68 -3.479 -4.015 3.579 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.412 -4.273 3.633 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.453 -4.737 1.345 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.435 -2.467 1.712 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.739 -2.341 2.136 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.479 -4.844 -0.052 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.463 -6.126 1.183 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.488 -4.688 1.406 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.162 -1.386 -0.076 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.104 -2.812 -0.203 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.826 -2.940 -0.634 1.00 0.00 H new ATOM 1063 N CYS A 69 -6.107 -6.633 4.441 1.00 0.00 N ATOM 1064 CA CYS A 69 -6.091 -8.055 4.763 1.00 0.00 C ATOM 1065 C CYS A 69 -7.138 -8.809 3.949 1.00 0.00 C ATOM 1066 O CYS A 69 -8.289 -8.387 3.830 1.00 0.00 O ATOM 1067 CB CYS A 69 -6.343 -8.263 6.257 1.00 0.00 C ATOM 1068 SG CYS A 69 -5.730 -9.840 6.896 1.00 0.00 S ATOM 0 H CYS A 69 -6.747 -6.078 5.010 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.107 -8.449 4.509 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.872 -7.451 6.811 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -7.414 -8.198 6.446 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.988 -9.923 8.168 1.00 0.00 H new ATOM 1074 N PRO A 70 -6.732 -9.950 3.373 1.00 0.00 N ATOM 1075 CA PRO A 70 -7.620 -10.786 2.560 1.00 0.00 C ATOM 1076 C PRO A 70 -8.694 -11.475 3.394 1.00 0.00 C ATOM 1077 O PRO A 70 -8.515 -11.701 4.592 1.00 0.00 O ATOM 1078 CB PRO A 70 -6.671 -11.821 1.949 1.00 0.00 C ATOM 1079 CG PRO A 70 -5.528 -11.895 2.901 1.00 0.00 C ATOM 1080 CD PRO A 70 -5.375 -10.513 3.473 1.00 0.00 C ATOM 0 HA PRO A 70 -8.167 -10.200 1.822 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -7.159 -12.790 1.840 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.340 -11.517 0.956 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.722 -12.624 3.688 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.617 -12.210 2.393 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.027 -10.542 4.506 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.653 -9.923 2.909 1.00 0.00 H new ATOM 1088 N THR A 71 -9.811 -11.808 2.755 1.00 0.00 N ATOM 1089 CA THR A 71 -10.914 -12.471 3.439 1.00 0.00 C ATOM 1090 C THR A 71 -11.344 -13.730 2.695 1.00 0.00 C ATOM 1091 O THR A 71 -11.321 -13.793 1.466 1.00 0.00 O ATOM 1092 CB THR A 71 -12.128 -11.534 3.585 1.00 0.00 C ATOM 1093 OG1 THR A 71 -12.640 -11.191 2.292 1.00 0.00 O ATOM 1094 CG2 THR A 71 -11.748 -10.269 4.338 1.00 0.00 C ATOM 0 H THR A 71 -9.976 -11.629 1.764 1.00 0.00 H new ATOM 0 HA THR A 71 -10.554 -12.744 4.431 1.00 0.00 H new ATOM 0 HB THR A 71 -12.897 -12.058 4.153 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.910 -11.199 1.638 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.621 -9.623 4.428 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.387 -10.532 5.332 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.963 -9.744 3.794 1.00 0.00 H new ATOM 1102 N PRO A 72 -11.748 -14.759 3.456 1.00 0.00 N ATOM 1103 CA PRO A 72 -12.193 -16.035 2.890 1.00 0.00 C ATOM 1104 C PRO A 72 -13.532 -15.915 2.170 1.00 0.00 C ATOM 1105 O PRO A 72 -13.950 -16.829 1.461 1.00 0.00 O ATOM 1106 CB PRO A 72 -12.326 -16.941 4.117 1.00 0.00 C ATOM 1107 CG PRO A 72 -12.567 -16.007 5.252 1.00 0.00 C ATOM 1108 CD PRO A 72 -11.802 -14.754 4.928 1.00 0.00 C ATOM 0 HA PRO A 72 -11.499 -16.411 2.138 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.150 -17.645 4.002 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.423 -17.530 4.274 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.631 -15.797 5.365 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -12.226 -16.440 6.193 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.306 -13.866 5.309 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.804 -14.767 5.367 1.00 0.00 H new ATOM 1116 N ASN A 73 -14.199 -14.780 2.356 1.00 0.00 N ATOM 1117 CA ASN A 73 -15.491 -14.541 1.723 1.00 0.00 C ATOM 1118 C ASN A 73 -15.313 -13.932 0.336 1.00 0.00 C ATOM 1119 O ASN A 73 -16.225 -13.304 -0.199 1.00 0.00 O ATOM 1120 CB ASN A 73 -16.344 -13.616 2.593 1.00 0.00 C ATOM 1121 CG ASN A 73 -16.748 -14.264 3.903 1.00 0.00 C ATOM 1122 OD1 ASN A 73 -16.196 -13.953 4.959 1.00 0.00 O ATOM 1123 ND2 ASN A 73 -17.717 -15.170 3.841 1.00 0.00 N ATOM 0 H ASN A 73 -13.866 -14.012 2.939 1.00 0.00 H new ATOM 0 HA ASN A 73 -15.999 -15.500 1.616 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -15.788 -12.701 2.800 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -17.239 -13.327 2.042 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -18.032 -15.639 4.690 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -18.146 -15.397 2.944 1.00 0.00 H new ATOM 1130 N ASN A 74 -14.131 -14.124 -0.241 1.00 0.00 N ATOM 1131 CA ASN A 74 -13.833 -13.594 -1.567 1.00 0.00 C ATOM 1132 C ASN A 74 -13.935 -12.072 -1.580 1.00 0.00 C ATOM 1133 O ASN A 74 -14.476 -11.484 -2.517 1.00 0.00 O ATOM 1134 CB ASN A 74 -14.788 -14.189 -2.604 1.00 0.00 C ATOM 1135 CG ASN A 74 -14.393 -15.595 -3.014 1.00 0.00 C ATOM 1136 OD1 ASN A 74 -14.464 -16.529 -2.215 1.00 0.00 O ATOM 1137 ND2 ASN A 74 -13.974 -15.750 -4.264 1.00 0.00 N ATOM 0 H ASN A 74 -13.365 -14.642 0.188 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.811 -13.874 -1.821 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.799 -14.203 -2.197 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.808 -13.548 -3.486 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.694 -16.673 -4.597 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -13.932 -14.947 -4.891 1.00 0.00 H new ATOM 1144 N GLN A 75 -13.412 -11.440 -0.534 1.00 0.00 N ATOM 1145 CA GLN A 75 -13.445 -9.986 -0.425 1.00 0.00 C ATOM 1146 C GLN A 75 -12.128 -9.452 0.129 1.00 0.00 C ATOM 1147 O GLN A 75 -11.183 -10.210 0.350 1.00 0.00 O ATOM 1148 CB GLN A 75 -14.604 -9.547 0.471 1.00 0.00 C ATOM 1149 CG GLN A 75 -15.971 -9.728 -0.170 1.00 0.00 C ATOM 1150 CD GLN A 75 -16.316 -8.609 -1.133 1.00 0.00 C ATOM 1151 OE1 GLN A 75 -16.297 -8.793 -2.350 1.00 0.00 O ATOM 1152 NE2 GLN A 75 -16.636 -7.439 -0.591 1.00 0.00 N ATOM 0 H GLN A 75 -12.961 -11.912 0.250 1.00 0.00 H new ATOM 0 HA GLN A 75 -13.591 -9.575 -1.424 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -14.569 -10.116 1.400 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -14.471 -8.498 0.734 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -15.996 -10.680 -0.701 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -16.730 -9.778 0.610 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -16.639 -7.331 0.423 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -16.879 -6.649 -1.189 1.00 0.00 H new ATOM 1161 N PHE A 76 -12.073 -8.143 0.350 1.00 0.00 N ATOM 1162 CA PHE A 76 -10.871 -7.507 0.877 1.00 0.00 C ATOM 1163 C PHE A 76 -11.210 -6.587 2.046 1.00 0.00 C ATOM 1164 O PHE A 76 -12.226 -5.893 2.029 1.00 0.00 O ATOM 1165 CB PHE A 76 -10.165 -6.712 -0.224 1.00 0.00 C ATOM 1166 CG PHE A 76 -9.530 -7.577 -1.275 1.00 0.00 C ATOM 1167 CD1 PHE A 76 -10.311 -8.326 -2.139 1.00 0.00 C ATOM 1168 CD2 PHE A 76 -8.151 -7.641 -1.398 1.00 0.00 C ATOM 1169 CE1 PHE A 76 -9.729 -9.123 -3.107 1.00 0.00 C ATOM 1170 CE2 PHE A 76 -7.564 -8.436 -2.364 1.00 0.00 C ATOM 1171 CZ PHE A 76 -8.354 -9.178 -3.220 1.00 0.00 C ATOM 0 H PHE A 76 -12.846 -7.502 0.173 1.00 0.00 H new ATOM 0 HA PHE A 76 -10.203 -8.290 1.236 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.885 -6.046 -0.699 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.399 -6.082 0.228 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -11.387 -8.287 -2.056 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -7.528 -7.063 -0.731 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -10.350 -9.702 -3.775 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -6.488 -8.477 -2.449 1.00 0.00 H new ATOM 0 HZ PHE A 76 -7.897 -9.800 -3.976 1.00 0.00 H new ATOM 1181 N MET A 77 -10.352 -6.589 3.061 1.00 0.00 N ATOM 1182 CA MET A 77 -10.560 -5.755 4.239 1.00 0.00 C ATOM 1183 C MET A 77 -9.460 -4.706 4.363 1.00 0.00 C ATOM 1184 O MET A 77 -8.304 -5.034 4.626 1.00 0.00 O ATOM 1185 CB MET A 77 -10.603 -6.619 5.501 1.00 0.00 C ATOM 1186 CG MET A 77 -11.996 -7.117 5.850 1.00 0.00 C ATOM 1187 SD MET A 77 -12.033 -8.051 7.391 1.00 0.00 S ATOM 1188 CE MET A 77 -10.981 -7.038 8.427 1.00 0.00 C ATOM 0 H MET A 77 -9.506 -7.159 3.091 1.00 0.00 H new ATOM 0 HA MET A 77 -11.515 -5.242 4.127 1.00 0.00 H new ATOM 0 HB2 MET A 77 -9.943 -7.476 5.367 1.00 0.00 H new ATOM 0 HB3 MET A 77 -10.212 -6.043 6.339 1.00 0.00 H new ATOM 0 HG2 MET A 77 -12.673 -6.266 5.929 1.00 0.00 H new ATOM 0 HG3 MET A 77 -12.367 -7.745 5.040 1.00 0.00 H new ATOM 0 HE1 MET A 77 -11.152 -7.288 9.474 1.00 0.00 H new ATOM 0 HE2 MET A 77 -9.937 -7.222 8.176 1.00 0.00 H new ATOM 0 HE3 MET A 77 -11.213 -5.986 8.263 1.00 0.00 H new ATOM 1198 N MET A 78 -9.828 -3.443 4.172 1.00 0.00 N ATOM 1199 CA MET A 78 -8.871 -2.346 4.264 1.00 0.00 C ATOM 1200 C MET A 78 -9.175 -1.459 5.467 1.00 0.00 C ATOM 1201 O MET A 78 -8.268 -1.027 6.176 1.00 0.00 O ATOM 1202 CB MET A 78 -8.895 -1.512 2.982 1.00 0.00 C ATOM 1203 CG MET A 78 -7.970 -0.307 3.024 1.00 0.00 C ATOM 1204 SD MET A 78 -7.351 0.151 1.394 1.00 0.00 S ATOM 1205 CE MET A 78 -7.240 1.931 1.562 1.00 0.00 C ATOM 0 H MET A 78 -10.781 -3.154 3.953 1.00 0.00 H new ATOM 0 HA MET A 78 -7.877 -2.774 4.392 1.00 0.00 H new ATOM 0 HB2 MET A 78 -8.615 -2.146 2.141 1.00 0.00 H new ATOM 0 HB3 MET A 78 -9.914 -1.171 2.799 1.00 0.00 H new ATOM 0 HG2 MET A 78 -8.502 0.540 3.457 1.00 0.00 H new ATOM 0 HG3 MET A 78 -7.127 -0.523 3.681 1.00 0.00 H new ATOM 0 HE1 MET A 78 -7.400 2.399 0.591 1.00 0.00 H new ATOM 0 HE2 MET A 78 -8.000 2.279 2.261 1.00 0.00 H new ATOM 0 HE3 MET A 78 -6.252 2.200 1.937 1.00 0.00 H new ATOM 1215 N GLY A 79 -10.458 -1.192 5.691 1.00 0.00 N ATOM 1216 CA GLY A 79 -10.858 -0.358 6.809 1.00 0.00 C ATOM 1217 C GLY A 79 -12.152 -0.824 7.447 1.00 0.00 C ATOM 1218 O GLY A 79 -13.165 -0.128 7.393 1.00 0.00 O ATOM 0 H GLY A 79 -11.227 -1.538 5.118 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -10.067 -0.357 7.559 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.975 0.670 6.467 1.00 0.00 H new ATOM 1222 N GLY A 80 -12.118 -2.007 8.053 1.00 0.00 N ATOM 1223 CA GLY A 80 -13.304 -2.547 8.694 1.00 0.00 C ATOM 1224 C GLY A 80 -14.428 -2.803 7.710 1.00 0.00 C ATOM 1225 O GLY A 80 -15.568 -3.045 8.109 1.00 0.00 O ATOM 0 H GLY A 80 -11.291 -2.601 8.112 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.048 -3.478 9.199 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.647 -1.852 9.461 1.00 0.00 H new ATOM 1229 N ARG A 81 -14.109 -2.749 6.421 1.00 0.00 N ATOM 1230 CA ARG A 81 -15.102 -2.975 5.378 1.00 0.00 C ATOM 1231 C ARG A 81 -14.714 -4.165 4.506 1.00 0.00 C ATOM 1232 O ARG A 81 -13.647 -4.754 4.681 1.00 0.00 O ATOM 1233 CB ARG A 81 -15.257 -1.723 4.513 1.00 0.00 C ATOM 1234 CG ARG A 81 -16.268 -0.727 5.058 1.00 0.00 C ATOM 1235 CD ARG A 81 -17.686 -1.269 4.974 1.00 0.00 C ATOM 1236 NE ARG A 81 -18.684 -0.205 5.041 1.00 0.00 N ATOM 1237 CZ ARG A 81 -19.085 0.356 6.176 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -18.576 -0.044 7.333 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -19.998 1.319 6.156 1.00 0.00 N ATOM 0 H ARG A 81 -13.171 -2.551 6.074 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.055 -3.196 5.859 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.288 -1.232 4.423 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.558 -2.021 3.509 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -16.028 -0.494 6.095 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -16.200 0.205 4.498 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -17.808 -1.822 4.043 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -17.853 -1.974 5.788 1.00 0.00 H new ATOM 0 HE ARG A 81 -19.096 0.125 4.168 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -17.875 -0.784 7.353 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -18.886 0.389 8.203 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -20.393 1.629 5.268 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -20.305 1.749 7.029 1.00 0.00 H new ATOM 1253 N TYR A 82 -15.585 -4.512 3.565 1.00 0.00 N ATOM 1254 CA TYR A 82 -15.335 -5.633 2.667 1.00 0.00 C ATOM 1255 C TYR A 82 -15.570 -5.230 1.215 1.00 0.00 C ATOM 1256 O TYR A 82 -16.680 -4.857 0.834 1.00 0.00 O ATOM 1257 CB TYR A 82 -16.234 -6.816 3.032 1.00 0.00 C ATOM 1258 CG TYR A 82 -16.441 -6.983 4.520 1.00 0.00 C ATOM 1259 CD1 TYR A 82 -15.361 -7.172 5.375 1.00 0.00 C ATOM 1260 CD2 TYR A 82 -17.715 -6.953 5.072 1.00 0.00 C ATOM 1261 CE1 TYR A 82 -15.546 -7.326 6.735 1.00 0.00 C ATOM 1262 CE2 TYR A 82 -17.909 -7.104 6.431 1.00 0.00 C ATOM 1263 CZ TYR A 82 -16.821 -7.290 7.259 1.00 0.00 C ATOM 1264 OH TYR A 82 -17.010 -7.443 8.613 1.00 0.00 O ATOM 0 H TYR A 82 -16.471 -4.033 3.404 1.00 0.00 H new ATOM 0 HA TYR A 82 -14.292 -5.930 2.778 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -17.204 -6.687 2.551 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -15.798 -7.730 2.629 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.361 -7.199 4.969 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -18.569 -6.809 4.427 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -14.696 -7.474 7.385 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -18.907 -7.077 6.843 1.00 0.00 H new ATOM 0 HH TYR A 82 -17.967 -7.391 8.818 1.00 0.00 H new ATOM 1274 N TYR A 83 -14.517 -5.309 0.408 1.00 0.00 N ATOM 1275 CA TYR A 83 -14.606 -4.952 -1.002 1.00 0.00 C ATOM 1276 C TYR A 83 -14.325 -6.160 -1.890 1.00 0.00 C ATOM 1277 O TYR A 83 -13.934 -7.222 -1.406 1.00 0.00 O ATOM 1278 CB TYR A 83 -13.624 -3.826 -1.328 1.00 0.00 C ATOM 1279 CG TYR A 83 -13.916 -2.536 -0.595 1.00 0.00 C ATOM 1280 CD1 TYR A 83 -13.512 -2.355 0.722 1.00 0.00 C ATOM 1281 CD2 TYR A 83 -14.597 -1.498 -1.220 1.00 0.00 C ATOM 1282 CE1 TYR A 83 -13.778 -1.179 1.396 1.00 0.00 C ATOM 1283 CE2 TYR A 83 -14.865 -0.318 -0.554 1.00 0.00 C ATOM 1284 CZ TYR A 83 -14.454 -0.163 0.753 1.00 0.00 C ATOM 1285 OH TYR A 83 -14.721 1.011 1.420 1.00 0.00 O ATOM 0 H TYR A 83 -13.592 -5.617 0.707 1.00 0.00 H new ATOM 0 HA TYR A 83 -15.621 -4.608 -1.199 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -12.614 -4.153 -1.081 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -13.645 -3.637 -2.401 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -12.981 -3.148 1.228 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -14.922 -1.616 -2.243 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -13.459 -1.056 2.420 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -15.394 0.479 -1.055 1.00 0.00 H new ATOM 0 HH TYR A 83 -15.203 1.623 0.825 1.00 0.00 H new ATOM 1295 N ASN A 84 -14.526 -5.990 -3.192 1.00 0.00 N ATOM 1296 CA ASN A 84 -14.294 -7.066 -4.149 1.00 0.00 C ATOM 1297 C ASN A 84 -12.800 -7.311 -4.340 1.00 0.00 C ATOM 1298 O ASN A 84 -12.317 -8.430 -4.171 1.00 0.00 O ATOM 1299 CB ASN A 84 -14.944 -6.730 -5.493 1.00 0.00 C ATOM 1300 CG ASN A 84 -14.670 -7.786 -6.547 1.00 0.00 C ATOM 1301 OD1 ASN A 84 -13.552 -7.905 -7.047 1.00 0.00 O ATOM 1302 ND2 ASN A 84 -15.695 -8.559 -6.889 1.00 0.00 N ATOM 0 H ASN A 84 -14.849 -5.117 -3.609 1.00 0.00 H new ATOM 0 HA ASN A 84 -14.745 -7.976 -3.752 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -16.021 -6.627 -5.357 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -14.573 -5.767 -5.842 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -15.572 -9.287 -7.593 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -16.605 -8.424 -6.448 1.00 0.00 H new ATOM 1309 N SER A 85 -12.074 -6.255 -4.694 1.00 0.00 N ATOM 1310 CA SER A 85 -10.635 -6.355 -4.912 1.00 0.00 C ATOM 1311 C SER A 85 -9.993 -4.972 -4.944 1.00 0.00 C ATOM 1312 O SER A 85 -10.686 -3.955 -4.988 1.00 0.00 O ATOM 1313 CB SER A 85 -10.347 -7.094 -6.220 1.00 0.00 C ATOM 1314 OG SER A 85 -10.813 -6.356 -7.336 1.00 0.00 O ATOM 0 H SER A 85 -12.458 -5.321 -4.836 1.00 0.00 H new ATOM 0 HA SER A 85 -10.205 -6.917 -4.083 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.275 -7.266 -6.316 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.826 -8.073 -6.201 1.00 0.00 H new ATOM 0 HG SER A 85 -11.734 -6.620 -7.541 1.00 0.00 H new ATOM 1320 N ILE A 86 -8.665 -4.943 -4.920 1.00 0.00 N ATOM 1321 CA ILE A 86 -7.928 -3.685 -4.948 1.00 0.00 C ATOM 1322 C ILE A 86 -8.485 -2.745 -6.011 1.00 0.00 C ATOM 1323 O ILE A 86 -8.899 -1.626 -5.710 1.00 0.00 O ATOM 1324 CB ILE A 86 -6.430 -3.916 -5.217 1.00 0.00 C ATOM 1325 CG1 ILE A 86 -5.822 -4.796 -4.122 1.00 0.00 C ATOM 1326 CG2 ILE A 86 -5.696 -2.586 -5.303 1.00 0.00 C ATOM 1327 CD1 ILE A 86 -4.467 -5.362 -4.484 1.00 0.00 C ATOM 0 H ILE A 86 -8.077 -5.776 -4.881 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.046 -3.229 -3.965 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.323 -4.431 -6.172 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.730 -4.211 -3.207 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.505 -5.618 -3.907 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.638 -2.766 -5.493 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.115 -1.991 -6.115 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.809 -2.047 -4.362 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.097 -5.975 -3.662 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.556 -5.974 -5.381 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.769 -4.545 -4.670 1.00 0.00 H new ATOM 1339 N GLY A 87 -8.494 -3.208 -7.257 1.00 0.00 N ATOM 1340 CA GLY A 87 -9.004 -2.397 -8.347 1.00 0.00 C ATOM 1341 C GLY A 87 -10.278 -1.664 -7.977 1.00 0.00 C ATOM 1342 O GLY A 87 -10.406 -0.464 -8.223 1.00 0.00 O ATOM 0 H GLY A 87 -8.157 -4.131 -7.531 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.245 -1.673 -8.643 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.193 -3.033 -9.212 1.00 0.00 H new ATOM 1346 N ASP A 88 -11.224 -2.386 -7.386 1.00 0.00 N ATOM 1347 CA ASP A 88 -12.495 -1.797 -6.981 1.00 0.00 C ATOM 1348 C ASP A 88 -12.289 -0.763 -5.879 1.00 0.00 C ATOM 1349 O ASP A 88 -12.678 0.397 -6.021 1.00 0.00 O ATOM 1350 CB ASP A 88 -13.457 -2.885 -6.503 1.00 0.00 C ATOM 1351 CG ASP A 88 -14.906 -2.447 -6.569 1.00 0.00 C ATOM 1352 OD1 ASP A 88 -15.198 -1.301 -6.168 1.00 0.00 O ATOM 1353 OD2 ASP A 88 -15.750 -3.250 -7.020 1.00 0.00 O ATOM 0 H ASP A 88 -11.134 -3.380 -7.177 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.927 -1.296 -7.848 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.322 -3.778 -7.113 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.210 -3.159 -5.477 1.00 0.00 H new ATOM 1358 N ILE A 89 -11.675 -1.191 -4.781 1.00 0.00 N ATOM 1359 CA ILE A 89 -11.417 -0.302 -3.655 1.00 0.00 C ATOM 1360 C ILE A 89 -10.989 1.081 -4.133 1.00 0.00 C ATOM 1361 O ILE A 89 -11.484 2.098 -3.646 1.00 0.00 O ATOM 1362 CB ILE A 89 -10.329 -0.871 -2.725 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -10.887 -2.035 -1.903 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -9.789 0.219 -1.812 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -9.825 -2.998 -1.421 1.00 0.00 C ATOM 0 H ILE A 89 -11.347 -2.148 -4.647 1.00 0.00 H new ATOM 0 HA ILE A 89 -12.351 -0.219 -3.099 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.508 -1.244 -3.337 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -11.423 -1.637 -1.041 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -11.613 -2.580 -2.506 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -9.021 -0.199 -1.161 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.358 1.018 -2.415 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -10.600 0.620 -1.205 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -10.293 -3.797 -0.846 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -9.305 -3.425 -2.278 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.111 -2.467 -0.791 1.00 0.00 H new ATOM 1377 N ILE A 90 -10.067 1.111 -5.089 1.00 0.00 N ATOM 1378 CA ILE A 90 -9.574 2.370 -5.635 1.00 0.00 C ATOM 1379 C ILE A 90 -10.711 3.194 -6.229 1.00 0.00 C ATOM 1380 O ILE A 90 -10.918 4.348 -5.852 1.00 0.00 O ATOM 1381 CB ILE A 90 -8.506 2.133 -6.720 1.00 0.00 C ATOM 1382 CG1 ILE A 90 -7.318 1.366 -6.137 1.00 0.00 C ATOM 1383 CG2 ILE A 90 -8.050 3.458 -7.312 1.00 0.00 C ATOM 1384 CD1 ILE A 90 -6.524 0.603 -7.174 1.00 0.00 C ATOM 0 H ILE A 90 -9.646 0.278 -5.502 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.124 2.919 -4.807 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.945 1.533 -7.517 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.657 2.068 -5.629 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.681 0.668 -5.383 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.296 3.274 -8.077 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -8.903 3.970 -7.759 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.625 4.081 -6.525 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.697 0.083 -6.689 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.171 -0.123 -7.666 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.130 1.299 -7.915 1.00 0.00 H new ATOM 1396 N ASP A 91 -11.447 2.594 -7.158 1.00 0.00 N ATOM 1397 CA ASP A 91 -12.566 3.272 -7.803 1.00 0.00 C ATOM 1398 C ASP A 91 -13.530 3.836 -6.764 1.00 0.00 C ATOM 1399 O ASP A 91 -13.997 4.969 -6.886 1.00 0.00 O ATOM 1400 CB ASP A 91 -13.305 2.309 -8.733 1.00 0.00 C ATOM 1401 CG ASP A 91 -12.494 1.955 -9.964 1.00 0.00 C ATOM 1402 OD1 ASP A 91 -11.254 2.092 -9.916 1.00 0.00 O ATOM 1403 OD2 ASP A 91 -13.099 1.542 -10.975 1.00 0.00 O ATOM 0 H ASP A 91 -11.289 1.640 -7.481 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.169 4.099 -8.391 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -13.549 1.397 -8.188 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -14.249 2.758 -9.041 1.00 0.00 H new ATOM 1408 N HIS A 92 -13.825 3.039 -5.743 1.00 0.00 N ATOM 1409 CA HIS A 92 -14.735 3.459 -4.683 1.00 0.00 C ATOM 1410 C HIS A 92 -14.167 4.653 -3.921 1.00 0.00 C ATOM 1411 O HIS A 92 -14.817 5.692 -3.802 1.00 0.00 O ATOM 1412 CB HIS A 92 -14.997 2.302 -3.718 1.00 0.00 C ATOM 1413 CG HIS A 92 -16.125 2.559 -2.767 1.00 0.00 C ATOM 1414 ND1 HIS A 92 -15.930 2.895 -1.443 1.00 0.00 N ATOM 1415 CD2 HIS A 92 -17.465 2.529 -2.953 1.00 0.00 C ATOM 1416 CE1 HIS A 92 -17.103 3.059 -0.857 1.00 0.00 C ATOM 1417 NE2 HIS A 92 -18.050 2.843 -1.751 1.00 0.00 N ATOM 0 H HIS A 92 -13.447 2.099 -5.627 1.00 0.00 H new ATOM 0 HA HIS A 92 -15.676 3.758 -5.144 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -15.216 1.402 -4.293 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -14.090 2.103 -3.147 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -17.979 2.301 -3.875 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -17.260 3.325 0.178 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -19.053 2.900 -1.577 1.00 0.00 H new ATOM 1425 N TYR A 93 -12.952 4.496 -3.407 1.00 0.00 N ATOM 1426 CA TYR A 93 -12.299 5.560 -2.654 1.00 0.00 C ATOM 1427 C TYR A 93 -12.294 6.864 -3.445 1.00 0.00 C ATOM 1428 O TYR A 93 -12.501 7.942 -2.888 1.00 0.00 O ATOM 1429 CB TYR A 93 -10.865 5.158 -2.303 1.00 0.00 C ATOM 1430 CG TYR A 93 -10.759 4.336 -1.039 1.00 0.00 C ATOM 1431 CD1 TYR A 93 -11.438 4.708 0.115 1.00 0.00 C ATOM 1432 CD2 TYR A 93 -9.979 3.186 -0.998 1.00 0.00 C ATOM 1433 CE1 TYR A 93 -11.343 3.959 1.272 1.00 0.00 C ATOM 1434 CE2 TYR A 93 -9.880 2.431 0.154 1.00 0.00 C ATOM 1435 CZ TYR A 93 -10.563 2.822 1.287 1.00 0.00 C ATOM 1436 OH TYR A 93 -10.467 2.073 2.437 1.00 0.00 O ATOM 0 H TYR A 93 -12.400 3.643 -3.498 1.00 0.00 H new ATOM 0 HA TYR A 93 -12.862 5.717 -1.734 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.442 4.590 -3.132 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -10.261 6.058 -2.193 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -12.050 5.598 0.107 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.441 2.878 -1.882 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -11.877 4.263 2.160 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.271 1.539 0.168 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.319 1.133 2.204 1.00 0.00 H new ATOM 1446 N ARG A 94 -12.057 6.757 -4.749 1.00 0.00 N ATOM 1447 CA ARG A 94 -12.025 7.927 -5.618 1.00 0.00 C ATOM 1448 C ARG A 94 -13.299 8.753 -5.466 1.00 0.00 C ATOM 1449 O ARG A 94 -13.302 9.959 -5.711 1.00 0.00 O ATOM 1450 CB ARG A 94 -11.852 7.499 -7.077 1.00 0.00 C ATOM 1451 CG ARG A 94 -10.436 7.070 -7.423 1.00 0.00 C ATOM 1452 CD ARG A 94 -10.282 6.803 -8.912 1.00 0.00 C ATOM 1453 NE ARG A 94 -10.453 8.016 -9.706 1.00 0.00 N ATOM 1454 CZ ARG A 94 -10.550 8.020 -11.031 1.00 0.00 C ATOM 1455 NH1 ARG A 94 -10.495 6.880 -11.706 1.00 0.00 N ATOM 1456 NH2 ARG A 94 -10.704 9.165 -11.683 1.00 0.00 N ATOM 0 H ARG A 94 -11.884 5.872 -5.226 1.00 0.00 H new ATOM 0 HA ARG A 94 -11.176 8.544 -5.324 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -12.534 6.675 -7.288 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -12.141 8.326 -7.726 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -9.735 7.846 -7.117 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -10.180 6.171 -6.863 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -9.296 6.380 -9.104 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -11.015 6.059 -9.225 1.00 0.00 H new ATOM 0 HE ARG A 94 -10.501 8.910 -9.217 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.378 5.998 -11.208 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -10.570 6.886 -12.723 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -10.748 10.044 -11.167 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.778 9.167 -12.700 1.00 0.00 H new ATOM 1470 N LYS A 95 -14.379 8.094 -5.061 1.00 0.00 N ATOM 1471 CA LYS A 95 -15.660 8.766 -4.875 1.00 0.00 C ATOM 1472 C LYS A 95 -15.820 9.243 -3.435 1.00 0.00 C ATOM 1473 O LYS A 95 -16.525 10.216 -3.170 1.00 0.00 O ATOM 1474 CB LYS A 95 -16.810 7.826 -5.243 1.00 0.00 C ATOM 1475 CG LYS A 95 -16.534 6.979 -6.473 1.00 0.00 C ATOM 1476 CD LYS A 95 -16.423 7.832 -7.725 1.00 0.00 C ATOM 1477 CE LYS A 95 -16.769 7.036 -8.974 1.00 0.00 C ATOM 1478 NZ LYS A 95 -15.574 6.357 -9.548 1.00 0.00 N ATOM 0 H LYS A 95 -14.393 7.095 -4.855 1.00 0.00 H new ATOM 0 HA LYS A 95 -15.685 9.635 -5.532 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -17.015 7.169 -4.398 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -17.710 8.416 -5.413 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -15.610 6.419 -6.330 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -17.333 6.248 -6.599 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -17.090 8.690 -7.642 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -15.409 8.224 -7.811 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -17.528 6.292 -8.732 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -17.202 7.702 -9.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -15.880 5.622 -10.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.984 7.054 -10.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -15.022 5.920 -8.783 1.00 0.00 H new ATOM 1492 N GLU A 96 -15.160 8.553 -2.511 1.00 0.00 N ATOM 1493 CA GLU A 96 -15.230 8.908 -1.098 1.00 0.00 C ATOM 1494 C GLU A 96 -13.833 9.116 -0.520 1.00 0.00 C ATOM 1495 O GLU A 96 -13.041 8.179 -0.434 1.00 0.00 O ATOM 1496 CB GLU A 96 -15.963 7.820 -0.311 1.00 0.00 C ATOM 1497 CG GLU A 96 -17.411 7.634 -0.733 1.00 0.00 C ATOM 1498 CD GLU A 96 -17.554 6.746 -1.953 1.00 0.00 C ATOM 1499 OE1 GLU A 96 -16.743 5.809 -2.104 1.00 0.00 O ATOM 1500 OE2 GLU A 96 -18.478 6.989 -2.758 1.00 0.00 O ATOM 0 H GLU A 96 -14.571 7.746 -2.715 1.00 0.00 H new ATOM 0 HA GLU A 96 -15.783 9.843 -1.012 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -15.433 6.875 -0.434 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -15.932 8.067 0.750 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -17.974 7.202 0.094 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -17.852 8.608 -0.944 1.00 0.00 H new ATOM 1507 N GLN A 97 -13.540 10.352 -0.126 1.00 0.00 N ATOM 1508 CA GLN A 97 -12.239 10.683 0.442 1.00 0.00 C ATOM 1509 C GLN A 97 -11.694 9.522 1.268 1.00 0.00 C ATOM 1510 O GLN A 97 -12.293 9.124 2.267 1.00 0.00 O ATOM 1511 CB GLN A 97 -12.343 11.938 1.311 1.00 0.00 C ATOM 1512 CG GLN A 97 -13.614 11.997 2.144 1.00 0.00 C ATOM 1513 CD GLN A 97 -14.076 13.418 2.402 1.00 0.00 C ATOM 1514 OE1 GLN A 97 -14.991 13.914 1.744 1.00 0.00 O ATOM 1515 NE2 GLN A 97 -13.445 14.081 3.364 1.00 0.00 N ATOM 0 H GLN A 97 -14.186 11.139 -0.190 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.550 10.875 -0.380 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -11.480 11.982 1.976 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.297 12.819 0.670 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -14.405 11.449 1.632 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -13.443 11.496 3.097 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -12.692 13.631 3.884 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -13.713 15.040 3.583 1.00 0.00 H new ATOM 1524 N ILE A 98 -10.556 8.984 0.844 1.00 0.00 N ATOM 1525 CA ILE A 98 -9.930 7.870 1.545 1.00 0.00 C ATOM 1526 C ILE A 98 -9.323 8.324 2.868 1.00 0.00 C ATOM 1527 O ILE A 98 -9.157 7.529 3.793 1.00 0.00 O ATOM 1528 CB ILE A 98 -8.833 7.211 0.689 1.00 0.00 C ATOM 1529 CG1 ILE A 98 -7.982 6.271 1.546 1.00 0.00 C ATOM 1530 CG2 ILE A 98 -7.963 8.273 0.034 1.00 0.00 C ATOM 1531 CD1 ILE A 98 -7.247 5.221 0.743 1.00 0.00 C ATOM 0 H ILE A 98 -10.048 9.302 0.018 1.00 0.00 H new ATOM 0 HA ILE A 98 -10.715 7.139 1.740 1.00 0.00 H new ATOM 0 HB ILE A 98 -9.309 6.624 -0.096 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -7.257 6.861 2.108 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -8.624 5.776 2.275 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -7.192 7.792 -0.568 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.580 8.905 -0.605 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -7.493 8.884 0.804 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -6.664 4.591 1.415 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -7.967 4.607 0.202 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.579 5.708 0.032 1.00 0.00 H new ATOM 1543 N VAL A 99 -8.994 9.609 2.952 1.00 0.00 N ATOM 1544 CA VAL A 99 -8.407 10.171 4.162 1.00 0.00 C ATOM 1545 C VAL A 99 -9.334 11.205 4.793 1.00 0.00 C ATOM 1546 O VAL A 99 -10.411 11.487 4.271 1.00 0.00 O ATOM 1547 CB VAL A 99 -7.044 10.828 3.873 1.00 0.00 C ATOM 1548 CG1 VAL A 99 -6.144 10.749 5.097 1.00 0.00 C ATOM 1549 CG2 VAL A 99 -6.382 10.173 2.671 1.00 0.00 C ATOM 0 H VAL A 99 -9.124 10.281 2.196 1.00 0.00 H new ATOM 0 HA VAL A 99 -8.262 9.344 4.857 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.208 11.880 3.640 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -5.185 11.218 4.875 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.617 11.268 5.931 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.984 9.704 5.364 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.420 10.649 2.481 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.228 9.113 2.873 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.022 10.287 1.796 1.00 0.00 H new ATOM 1559 N GLU A 100 -8.905 11.766 5.919 1.00 0.00 N ATOM 1560 CA GLU A 100 -9.697 12.769 6.621 1.00 0.00 C ATOM 1561 C GLU A 100 -10.371 13.718 5.635 1.00 0.00 C ATOM 1562 O GLU A 100 -11.536 14.080 5.802 1.00 0.00 O ATOM 1563 CB GLU A 100 -8.815 13.563 7.588 1.00 0.00 C ATOM 1564 CG GLU A 100 -7.621 14.223 6.920 1.00 0.00 C ATOM 1565 CD GLU A 100 -7.939 15.609 6.394 1.00 0.00 C ATOM 1566 OE1 GLU A 100 -8.943 16.199 6.846 1.00 0.00 O ATOM 1567 OE2 GLU A 100 -7.185 16.104 5.530 1.00 0.00 O ATOM 0 H GLU A 100 -8.015 11.543 6.364 1.00 0.00 H new ATOM 0 HA GLU A 100 -10.471 12.252 7.188 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.420 14.330 8.072 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.459 12.896 8.373 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.800 14.289 7.634 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -7.277 13.596 6.097 1.00 0.00 H new ATOM 1574 N GLY A 101 -9.630 14.119 4.607 1.00 0.00 N ATOM 1575 CA GLY A 101 -10.172 15.022 3.609 1.00 0.00 C ATOM 1576 C GLY A 101 -9.367 15.017 2.324 1.00 0.00 C ATOM 1577 O GLY A 101 -9.178 16.060 1.698 1.00 0.00 O ATOM 0 H GLY A 101 -8.664 13.834 4.447 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.202 14.740 3.390 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.197 16.034 4.014 1.00 0.00 H new ATOM 1581 N TYR A 102 -8.891 13.841 1.931 1.00 0.00 N ATOM 1582 CA TYR A 102 -8.099 13.705 0.714 1.00 0.00 C ATOM 1583 C TYR A 102 -8.691 12.642 -0.205 1.00 0.00 C ATOM 1584 O TYR A 102 -9.105 11.574 0.247 1.00 0.00 O ATOM 1585 CB TYR A 102 -6.652 13.348 1.060 1.00 0.00 C ATOM 1586 CG TYR A 102 -5.803 14.546 1.422 1.00 0.00 C ATOM 1587 CD1 TYR A 102 -5.326 15.406 0.439 1.00 0.00 C ATOM 1588 CD2 TYR A 102 -5.476 14.817 2.744 1.00 0.00 C ATOM 1589 CE1 TYR A 102 -4.549 16.501 0.764 1.00 0.00 C ATOM 1590 CE2 TYR A 102 -4.701 15.911 3.079 1.00 0.00 C ATOM 1591 CZ TYR A 102 -4.240 16.749 2.085 1.00 0.00 C ATOM 1592 OH TYR A 102 -3.467 17.839 2.414 1.00 0.00 O ATOM 0 H TYR A 102 -9.040 12.968 2.437 1.00 0.00 H new ATOM 0 HA TYR A 102 -8.115 14.661 0.191 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -6.649 12.646 1.894 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -6.200 12.836 0.211 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -5.567 15.215 -0.596 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -5.834 14.161 3.524 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -4.186 17.159 -0.012 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -4.458 16.109 4.113 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.343 17.871 3.386 1.00 0.00 H new ATOM 1602 N TYR A 103 -8.726 12.941 -1.499 1.00 0.00 N ATOM 1603 CA TYR A 103 -9.268 12.013 -2.484 1.00 0.00 C ATOM 1604 C TYR A 103 -8.163 11.461 -3.379 1.00 0.00 C ATOM 1605 O TYR A 103 -7.122 12.092 -3.561 1.00 0.00 O ATOM 1606 CB TYR A 103 -10.332 12.706 -3.337 1.00 0.00 C ATOM 1607 CG TYR A 103 -11.676 12.820 -2.654 1.00 0.00 C ATOM 1608 CD1 TYR A 103 -11.953 13.875 -1.793 1.00 0.00 C ATOM 1609 CD2 TYR A 103 -12.670 11.872 -2.869 1.00 0.00 C ATOM 1610 CE1 TYR A 103 -13.179 13.983 -1.167 1.00 0.00 C ATOM 1611 CE2 TYR A 103 -13.899 11.973 -2.248 1.00 0.00 C ATOM 1612 CZ TYR A 103 -14.149 13.030 -1.398 1.00 0.00 C ATOM 1613 OH TYR A 103 -15.373 13.133 -0.776 1.00 0.00 O ATOM 0 H TYR A 103 -8.385 13.819 -1.890 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.726 11.181 -1.948 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -9.982 13.704 -3.600 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -10.453 12.155 -4.270 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -11.196 14.623 -1.610 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -12.477 11.042 -3.533 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -13.377 14.809 -0.500 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -14.660 11.228 -2.427 1.00 0.00 H new ATOM 0 HH TYR A 103 -15.272 13.625 0.065 1.00 0.00 H new ATOM 1623 N LEU A 104 -8.397 10.277 -3.935 1.00 0.00 N ATOM 1624 CA LEU A 104 -7.423 9.638 -4.813 1.00 0.00 C ATOM 1625 C LEU A 104 -7.487 10.226 -6.218 1.00 0.00 C ATOM 1626 O LEU A 104 -8.379 9.897 -7.001 1.00 0.00 O ATOM 1627 CB LEU A 104 -7.669 8.129 -4.867 1.00 0.00 C ATOM 1628 CG LEU A 104 -7.398 7.358 -3.575 1.00 0.00 C ATOM 1629 CD1 LEU A 104 -7.907 5.929 -3.690 1.00 0.00 C ATOM 1630 CD2 LEU A 104 -5.913 7.372 -3.246 1.00 0.00 C ATOM 0 H LEU A 104 -9.253 9.740 -3.793 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.428 9.824 -4.407 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.706 7.960 -5.156 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.046 7.707 -5.656 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.934 7.849 -2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.706 5.395 -2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -8.981 5.939 -3.877 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.400 5.427 -4.514 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.740 6.818 -2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.356 6.906 -4.059 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.578 8.402 -3.120 1.00 0.00 H new ATOM 1642 N LYS A 105 -6.535 11.097 -6.534 1.00 0.00 N ATOM 1643 CA LYS A 105 -6.480 11.730 -7.846 1.00 0.00 C ATOM 1644 C LYS A 105 -5.912 10.771 -8.889 1.00 0.00 C ATOM 1645 O LYS A 105 -6.637 10.285 -9.756 1.00 0.00 O ATOM 1646 CB LYS A 105 -5.628 12.999 -7.788 1.00 0.00 C ATOM 1647 CG LYS A 105 -6.294 14.146 -7.047 1.00 0.00 C ATOM 1648 CD LYS A 105 -7.406 14.771 -7.872 1.00 0.00 C ATOM 1649 CE LYS A 105 -6.891 15.922 -8.722 1.00 0.00 C ATOM 1650 NZ LYS A 105 -6.175 16.939 -7.902 1.00 0.00 N ATOM 0 H LYS A 105 -5.790 11.381 -5.898 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.496 11.996 -8.136 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.679 12.768 -7.304 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.398 13.319 -8.804 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.700 13.783 -6.103 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.550 14.904 -6.804 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.852 14.013 -8.516 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.194 15.131 -7.210 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.220 15.535 -9.489 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.727 16.394 -9.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -6.211 17.861 -8.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -6.630 17.016 -6.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -5.183 16.651 -7.780 1.00 0.00 H new ATOM 1664 N GLU A 106 -4.613 10.504 -8.796 1.00 0.00 N ATOM 1665 CA GLU A 106 -3.951 9.603 -9.731 1.00 0.00 C ATOM 1666 C GLU A 106 -2.780 8.888 -9.062 1.00 0.00 C ATOM 1667 O GLU A 106 -2.020 9.475 -8.292 1.00 0.00 O ATOM 1668 CB GLU A 106 -3.457 10.377 -10.956 1.00 0.00 C ATOM 1669 CG GLU A 106 -2.374 11.394 -10.637 1.00 0.00 C ATOM 1670 CD GLU A 106 -1.960 12.205 -11.850 1.00 0.00 C ATOM 1671 OE1 GLU A 106 -2.848 12.589 -12.639 1.00 0.00 O ATOM 1672 OE2 GLU A 106 -0.747 12.456 -12.009 1.00 0.00 O ATOM 0 H GLU A 106 -3.999 10.899 -8.083 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.677 8.855 -10.050 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.074 9.670 -11.692 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -4.301 10.890 -11.416 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.732 12.068 -9.859 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -1.502 10.877 -10.235 1.00 0.00 H new ATOM 1679 N PRO A 107 -2.632 7.589 -9.360 1.00 0.00 N ATOM 1680 CA PRO A 107 -1.558 6.765 -8.799 1.00 0.00 C ATOM 1681 C PRO A 107 -0.187 7.148 -9.346 1.00 0.00 C ATOM 1682 O PRO A 107 -0.080 7.742 -10.419 1.00 0.00 O ATOM 1683 CB PRO A 107 -1.932 5.347 -9.238 1.00 0.00 C ATOM 1684 CG PRO A 107 -2.753 5.535 -10.466 1.00 0.00 C ATOM 1685 CD PRO A 107 -3.502 6.825 -10.270 1.00 0.00 C ATOM 0 HA PRO A 107 -1.476 6.884 -7.719 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -1.044 4.749 -9.443 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -2.494 4.827 -8.462 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -2.122 5.581 -11.354 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -3.441 4.702 -10.607 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -3.655 7.348 -11.214 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -4.488 6.656 -9.836 1.00 0.00 H new ATOM 1693 N VAL A 108 0.859 6.804 -8.602 1.00 0.00 N ATOM 1694 CA VAL A 108 2.224 7.110 -9.014 1.00 0.00 C ATOM 1695 C VAL A 108 2.644 6.256 -10.205 1.00 0.00 C ATOM 1696 O VAL A 108 2.662 5.026 -10.143 1.00 0.00 O ATOM 1697 CB VAL A 108 3.221 6.889 -7.861 1.00 0.00 C ATOM 1698 CG1 VAL A 108 4.652 6.940 -8.375 1.00 0.00 C ATOM 1699 CG2 VAL A 108 3.004 7.921 -6.764 1.00 0.00 C ATOM 0 H VAL A 108 0.788 6.313 -7.711 1.00 0.00 H new ATOM 0 HA VAL A 108 2.239 8.161 -9.302 1.00 0.00 H new ATOM 0 HB VAL A 108 3.047 5.900 -7.438 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.342 6.782 -7.546 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.798 6.160 -9.123 1.00 0.00 H new ATOM 0 HG13 VAL A 108 4.843 7.914 -8.825 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.717 7.750 -5.957 1.00 0.00 H new ATOM 0 HG22 VAL A 108 3.150 8.921 -7.171 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.989 7.832 -6.376 1.00 0.00 H new ATOM 1709 N PRO A 109 2.990 6.921 -11.317 1.00 0.00 N ATOM 1710 CA PRO A 109 3.417 6.242 -12.544 1.00 0.00 C ATOM 1711 C PRO A 109 4.784 5.582 -12.396 1.00 0.00 C ATOM 1712 O PRO A 109 5.655 6.089 -11.690 1.00 0.00 O ATOM 1713 CB PRO A 109 3.480 7.375 -13.572 1.00 0.00 C ATOM 1714 CG PRO A 109 3.708 8.606 -12.766 1.00 0.00 C ATOM 1715 CD PRO A 109 2.992 8.386 -11.462 1.00 0.00 C ATOM 0 HA PRO A 109 2.739 5.434 -12.819 1.00 0.00 H new ATOM 0 HB2 PRO A 109 4.286 7.216 -14.288 1.00 0.00 H new ATOM 0 HB3 PRO A 109 2.555 7.442 -14.144 1.00 0.00 H new ATOM 0 HG2 PRO A 109 4.773 8.774 -12.603 1.00 0.00 H new ATOM 0 HG3 PRO A 109 3.321 9.486 -13.280 1.00 0.00 H new ATOM 0 HD2 PRO A 109 3.508 8.871 -10.633 1.00 0.00 H new ATOM 0 HD3 PRO A 109 1.979 8.789 -11.487 1.00 0.00 H new ATOM 1723 N MET A 110 4.963 4.448 -13.065 1.00 0.00 N ATOM 1724 CA MET A 110 6.225 3.719 -13.008 1.00 0.00 C ATOM 1725 C MET A 110 7.398 4.635 -13.344 1.00 0.00 C ATOM 1726 O MET A 110 7.207 5.804 -13.676 1.00 0.00 O ATOM 1727 CB MET A 110 6.197 2.532 -13.973 1.00 0.00 C ATOM 1728 CG MET A 110 4.807 1.954 -14.186 1.00 0.00 C ATOM 1729 SD MET A 110 3.973 2.662 -15.619 1.00 0.00 S ATOM 1730 CE MET A 110 5.114 2.220 -16.927 1.00 0.00 C ATOM 0 H MET A 110 4.251 4.014 -13.652 1.00 0.00 H new ATOM 0 HA MET A 110 6.356 3.348 -11.991 1.00 0.00 H new ATOM 0 HB2 MET A 110 6.602 2.847 -14.935 1.00 0.00 H new ATOM 0 HB3 MET A 110 6.853 1.749 -13.592 1.00 0.00 H new ATOM 0 HG2 MET A 110 4.882 0.874 -14.311 1.00 0.00 H new ATOM 0 HG3 MET A 110 4.204 2.131 -13.295 1.00 0.00 H new ATOM 0 HE1 MET A 110 4.559 2.035 -17.847 1.00 0.00 H new ATOM 0 HE2 MET A 110 5.819 3.036 -17.087 1.00 0.00 H new ATOM 0 HE3 MET A 110 5.660 1.320 -16.645 1.00 0.00 H new