USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 685 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 69 HIS : no HE2:sc= -0.318 K(o=-0.69,f=-3.7) USER MOD Set 1.2: A 88 SER OG : rot 180:sc= -0.367 USER MOD Set 2.1: A 61 GLN : amide:sc= -1.26 K(o=-2.6,f=0.018) USER MOD Set 2.2: A 63 TYR OH : rot 150:sc= -1.31 USER MOD Set 3.1: A 25 GLN : amide:sc= -3.24! C(o=-2.2!,f=-5.5!) USER MOD Set 3.2: A 43 THR OG1 : rot -83:sc= 1.02 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0319 USER MOD Single : A 32 SER OG : rot 180:sc= -0.0485 USER MOD Single : A 35 LYS NZ :NH3+ 152:sc= -0.19 (180deg=-0.744) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc=-0.00894 X(o=-0.0089,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 156:sc= 0.746 (180deg=0.428) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 46 MET CE :methyl -103:sc= -4.77! (180deg=-6.78!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HE2:sc= -2.14 X(o=-2.1,f=-2.5) USER MOD Single : A 55 GLN : amide:sc= -1.46 K(o=-1.5,f=-0.41) USER MOD Single : A 56 TYR OH : rot 110:sc= -0.342 USER MOD Single : A 58 MET CE :methyl -151:sc= -1.09 (180deg=-2.63!) USER MOD Single : A 60 LYS NZ :NH3+ -152:sc= -4.49! (180deg=-7.51!) USER MOD Single : A 66 LYS NZ :NH3+ 179:sc= -1.24 (180deg=-1.24) USER MOD Single : A 67 GLN : amide:sc= -0.935 K(o=-0.93,f=-0.29) USER MOD Single : A 68 GLN : amide:sc= -1.24 K(o=-1.2,f=-0.5) USER MOD Single : A 72 HIS : no HD1:sc= -2.75 X(o=-2.8,f=-2.7) USER MOD Single : A 73 CYS SG : rot -126:sc= -3.71! USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.33 X(o=-0.33,f=0) USER MOD Single : A 85 GLN : amide:sc= -1.23 K(o=-1.2,f=-7.3!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.064 X(o=-0.064,f=0) USER MOD Single : A 96 TYR OH : rot 180:sc= -0.402 USER MOD Single : A 98 MET CE :methyl 135:sc= -7.22! (180deg=-13.3!) USER MOD Single : A 100 SER OG : rot 95:sc= 0.0695 USER MOD Single : A 102 ASN : amide:sc= -2.08 X(o=-2.1,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 156 N LEU A 23 -7.508 8.426 5.327 1.00 1.00 N ATOM 157 CA LEU A 23 -6.236 8.022 4.737 1.00 1.00 C ATOM 158 C LEU A 23 -5.324 7.372 5.771 1.00 1.00 C ATOM 159 O LEU A 23 -5.597 7.404 6.972 1.00 1.00 O ATOM 160 CB LEU A 23 -5.508 9.219 4.104 1.00 1.00 C ATOM 161 CG LEU A 23 -6.390 10.402 3.683 1.00 1.00 C ATOM 162 CD1 LEU A 23 -6.257 11.545 4.679 1.00 1.00 C ATOM 163 CD2 LEU A 23 -6.023 10.874 2.282 1.00 1.00 C ATOM 0 HA LEU A 23 -6.468 7.294 3.960 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -4.764 9.582 4.813 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -4.967 8.866 3.226 1.00 1.00 H new ATOM 0 HG LEU A 23 -7.428 10.069 3.673 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -6.889 12.376 4.366 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -6.568 11.205 5.667 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -5.219 11.874 4.719 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -6.660 11.713 2.002 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -4.980 11.189 2.266 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -6.167 10.058 1.574 1.00 1.00 H new ATOM 175 N VAL A 24 -4.229 6.797 5.286 1.00 1.00 N ATOM 176 CA VAL A 24 -3.251 6.150 6.148 1.00 1.00 C ATOM 177 C VAL A 24 -1.895 6.836 6.002 1.00 1.00 C ATOM 178 O VAL A 24 -1.665 7.563 5.035 1.00 1.00 O ATOM 179 CB VAL A 24 -3.102 4.645 5.831 1.00 1.00 C ATOM 180 CG1 VAL A 24 -4.100 3.831 6.639 1.00 1.00 C ATOM 181 CG2 VAL A 24 -3.269 4.374 4.340 1.00 1.00 C ATOM 0 H VAL A 24 -3.997 6.767 4.293 1.00 1.00 H new ATOM 0 HA VAL A 24 -3.610 6.242 7.173 1.00 1.00 H new ATOM 0 HB VAL A 24 -2.094 4.340 6.113 1.00 1.00 H new ATOM 0 HG11 VAL A 24 -3.982 2.773 6.404 1.00 1.00 H new ATOM 0 HG12 VAL A 24 -3.922 3.989 7.703 1.00 1.00 H new ATOM 0 HG13 VAL A 24 -5.113 4.147 6.390 1.00 1.00 H new ATOM 0 HG21 VAL A 24 -3.159 3.306 4.150 1.00 1.00 H new ATOM 0 HG22 VAL A 24 -4.259 4.699 4.020 1.00 1.00 H new ATOM 0 HG23 VAL A 24 -2.509 4.922 3.783 1.00 1.00 H new ATOM 191 N GLN A 25 -1.001 6.617 6.961 1.00 1.00 N ATOM 192 CA GLN A 25 0.319 7.236 6.918 1.00 1.00 C ATOM 193 C GLN A 25 1.424 6.189 7.040 1.00 1.00 C ATOM 194 O GLN A 25 1.797 5.795 8.143 1.00 1.00 O ATOM 195 CB GLN A 25 0.451 8.273 8.034 1.00 1.00 C ATOM 196 CG GLN A 25 1.790 8.991 8.047 1.00 1.00 C ATOM 197 CD GLN A 25 1.783 10.253 7.206 1.00 1.00 C ATOM 198 OE1 GLN A 25 0.810 11.008 7.208 1.00 1.00 O ATOM 199 NE2 GLN A 25 2.871 10.489 6.483 1.00 1.00 N ATOM 0 H GLN A 25 -1.165 6.020 7.772 1.00 1.00 H new ATOM 0 HA GLN A 25 0.428 7.732 5.954 1.00 1.00 H new ATOM 0 HB2 GLN A 25 -0.345 9.010 7.929 1.00 1.00 H new ATOM 0 HB3 GLN A 25 0.304 7.780 8.995 1.00 1.00 H new ATOM 0 HG2 GLN A 25 2.052 9.245 9.074 1.00 1.00 H new ATOM 0 HG3 GLN A 25 2.563 8.317 7.678 1.00 1.00 H new ATOM 0 HE21 GLN A 25 3.654 9.836 6.512 1.00 1.00 H new ATOM 0 HE22 GLN A 25 2.924 11.323 5.899 1.00 1.00 H new ATOM 208 N PRO A 26 1.964 5.723 5.899 1.00 1.00 N ATOM 209 CA PRO A 26 3.032 4.719 5.882 1.00 1.00 C ATOM 210 C PRO A 26 4.292 5.205 6.587 1.00 1.00 C ATOM 211 O PRO A 26 4.656 6.377 6.489 1.00 1.00 O ATOM 212 CB PRO A 26 3.314 4.511 4.388 1.00 1.00 C ATOM 213 CG PRO A 26 2.097 5.012 3.691 1.00 1.00 C ATOM 214 CD PRO A 26 1.577 6.135 4.540 1.00 1.00 C ATOM 0 HA PRO A 26 2.736 3.809 6.405 1.00 1.00 H new ATOM 0 HB2 PRO A 26 4.202 5.060 4.074 1.00 1.00 H new ATOM 0 HB3 PRO A 26 3.493 3.460 4.163 1.00 1.00 H new ATOM 0 HG2 PRO A 26 2.336 5.359 2.686 1.00 1.00 H new ATOM 0 HG3 PRO A 26 1.353 4.223 3.587 1.00 1.00 H new ATOM 0 HD2 PRO A 26 2.023 7.090 4.265 1.00 1.00 H new ATOM 0 HD3 PRO A 26 0.497 6.248 4.444 1.00 1.00 H new ATOM 222 N THR A 27 4.960 4.298 7.291 1.00 1.00 N ATOM 223 CA THR A 27 6.186 4.639 8.001 1.00 1.00 C ATOM 224 C THR A 27 7.234 5.169 7.026 1.00 1.00 C ATOM 225 O THR A 27 7.124 4.965 5.817 1.00 1.00 O ATOM 226 CB THR A 27 6.730 3.415 8.740 1.00 1.00 C ATOM 227 OG1 THR A 27 6.473 2.231 8.006 1.00 1.00 O ATOM 228 CG2 THR A 27 6.136 3.236 10.120 1.00 1.00 C ATOM 0 H THR A 27 4.674 3.324 7.385 1.00 1.00 H new ATOM 0 HA THR A 27 5.958 5.417 8.729 1.00 1.00 H new ATOM 0 HB THR A 27 7.801 3.592 8.843 1.00 1.00 H new ATOM 0 HG1 THR A 27 6.830 1.460 8.494 1.00 1.00 H new ATOM 0 HG21 THR A 27 6.565 2.350 10.589 1.00 1.00 H new ATOM 0 HG22 THR A 27 6.359 4.112 10.729 1.00 1.00 H new ATOM 0 HG23 THR A 27 5.056 3.116 10.038 1.00 1.00 H new ATOM 236 N PRO A 28 8.269 5.859 7.535 1.00 1.00 N ATOM 237 CA PRO A 28 9.333 6.414 6.700 1.00 1.00 C ATOM 238 C PRO A 28 9.849 5.403 5.681 1.00 1.00 C ATOM 239 O PRO A 28 10.314 5.774 4.602 1.00 1.00 O ATOM 240 CB PRO A 28 10.439 6.788 7.702 1.00 1.00 C ATOM 241 CG PRO A 28 9.983 6.274 9.031 1.00 1.00 C ATOM 242 CD PRO A 28 8.489 6.152 8.953 1.00 1.00 C ATOM 0 HA PRO A 28 8.983 7.262 6.112 1.00 1.00 H new ATOM 0 HB2 PRO A 28 11.391 6.341 7.417 1.00 1.00 H new ATOM 0 HB3 PRO A 28 10.590 7.867 7.732 1.00 1.00 H new ATOM 0 HG2 PRO A 28 10.440 5.309 9.251 1.00 1.00 H new ATOM 0 HG3 PRO A 28 10.275 6.955 9.831 1.00 1.00 H new ATOM 0 HD2 PRO A 28 8.113 5.356 9.595 1.00 1.00 H new ATOM 0 HD3 PRO A 28 7.990 7.071 9.260 1.00 1.00 H new ATOM 250 N LEU A 29 9.755 4.122 6.026 1.00 1.00 N ATOM 251 CA LEU A 29 10.201 3.056 5.139 1.00 1.00 C ATOM 252 C LEU A 29 9.218 2.877 3.987 1.00 1.00 C ATOM 253 O LEU A 29 9.554 3.114 2.826 1.00 1.00 O ATOM 254 CB LEU A 29 10.348 1.745 5.915 1.00 1.00 C ATOM 255 CG LEU A 29 10.711 0.523 5.069 1.00 1.00 C ATOM 256 CD1 LEU A 29 11.914 0.819 4.185 1.00 1.00 C ATOM 257 CD2 LEU A 29 10.986 -0.676 5.963 1.00 1.00 C ATOM 0 H LEU A 29 9.373 3.798 6.915 1.00 1.00 H new ATOM 0 HA LEU A 29 11.173 3.331 4.729 1.00 1.00 H new ATOM 0 HB2 LEU A 29 11.114 1.878 6.679 1.00 1.00 H new ATOM 0 HB3 LEU A 29 9.411 1.542 6.434 1.00 1.00 H new ATOM 0 HG LEU A 29 9.865 0.287 4.424 1.00 1.00 H new ATOM 0 HD11 LEU A 29 12.155 -0.063 3.592 1.00 1.00 H new ATOM 0 HD12 LEU A 29 11.681 1.651 3.520 1.00 1.00 H new ATOM 0 HD13 LEU A 29 12.768 1.081 4.809 1.00 1.00 H new ATOM 0 HD21 LEU A 29 11.243 -1.538 5.347 1.00 1.00 H new ATOM 0 HD22 LEU A 29 11.816 -0.448 6.632 1.00 1.00 H new ATOM 0 HD23 LEU A 29 10.097 -0.903 6.551 1.00 1.00 H new ATOM 269 N LEU A 30 7.995 2.470 4.317 1.00 1.00 N ATOM 270 CA LEU A 30 6.957 2.274 3.311 1.00 1.00 C ATOM 271 C LEU A 30 6.765 3.548 2.495 1.00 1.00 C ATOM 272 O LEU A 30 6.425 3.499 1.313 1.00 1.00 O ATOM 273 CB LEU A 30 5.639 1.871 3.977 1.00 1.00 C ATOM 274 CG LEU A 30 4.526 1.442 3.017 1.00 1.00 C ATOM 275 CD1 LEU A 30 5.034 0.389 2.044 1.00 1.00 C ATOM 276 CD2 LEU A 30 3.327 0.918 3.794 1.00 1.00 C ATOM 0 H LEU A 30 7.699 2.270 5.273 1.00 1.00 H new ATOM 0 HA LEU A 30 7.269 1.472 2.642 1.00 1.00 H new ATOM 0 HB2 LEU A 30 5.836 1.052 4.668 1.00 1.00 H new ATOM 0 HB3 LEU A 30 5.280 2.711 4.572 1.00 1.00 H new ATOM 0 HG LEU A 30 4.211 2.314 2.443 1.00 1.00 H new ATOM 0 HD11 LEU A 30 4.228 0.097 1.370 1.00 1.00 H new ATOM 0 HD12 LEU A 30 5.861 0.798 1.464 1.00 1.00 H new ATOM 0 HD13 LEU A 30 5.377 -0.484 2.599 1.00 1.00 H new ATOM 0 HD21 LEU A 30 2.545 0.617 3.097 1.00 1.00 H new ATOM 0 HD22 LEU A 30 3.629 0.059 4.393 1.00 1.00 H new ATOM 0 HD23 LEU A 30 2.947 1.702 4.449 1.00 1.00 H new ATOM 288 N LEU A 31 6.994 4.689 3.139 1.00 1.00 N ATOM 289 CA LEU A 31 6.859 5.987 2.488 1.00 1.00 C ATOM 290 C LEU A 31 7.700 6.050 1.214 1.00 1.00 C ATOM 291 O LEU A 31 7.167 6.167 0.111 1.00 1.00 O ATOM 292 CB LEU A 31 7.285 7.103 3.448 1.00 1.00 C ATOM 293 CG LEU A 31 6.189 8.105 3.814 1.00 1.00 C ATOM 294 CD1 LEU A 31 6.771 9.263 4.611 1.00 1.00 C ATOM 295 CD2 LEU A 31 5.492 8.616 2.562 1.00 1.00 C ATOM 0 H LEU A 31 7.276 4.740 4.118 1.00 1.00 H new ATOM 0 HA LEU A 31 5.812 6.124 2.216 1.00 1.00 H new ATOM 0 HB2 LEU A 31 7.659 6.648 4.365 1.00 1.00 H new ATOM 0 HB3 LEU A 31 8.117 7.647 3.000 1.00 1.00 H new ATOM 0 HG LEU A 31 5.451 7.596 4.434 1.00 1.00 H new ATOM 0 HD11 LEU A 31 5.977 9.966 4.863 1.00 1.00 H new ATOM 0 HD12 LEU A 31 7.224 8.883 5.527 1.00 1.00 H new ATOM 0 HD13 LEU A 31 7.530 9.770 4.015 1.00 1.00 H new ATOM 0 HD21 LEU A 31 4.716 9.328 2.843 1.00 1.00 H new ATOM 0 HD22 LEU A 31 6.219 9.108 1.916 1.00 1.00 H new ATOM 0 HD23 LEU A 31 5.041 7.779 2.029 1.00 1.00 H new ATOM 307 N SER A 32 9.019 5.976 1.379 1.00 1.00 N ATOM 308 CA SER A 32 9.943 6.027 0.251 1.00 1.00 C ATOM 309 C SER A 32 9.501 5.090 -0.871 1.00 1.00 C ATOM 310 O SER A 32 9.593 5.437 -2.049 1.00 1.00 O ATOM 311 CB SER A 32 11.358 5.671 0.716 1.00 1.00 C ATOM 312 OG SER A 32 11.704 4.343 0.361 1.00 1.00 O ATOM 0 H SER A 32 9.472 5.880 2.288 1.00 1.00 H new ATOM 0 HA SER A 32 9.942 7.043 -0.144 1.00 1.00 H new ATOM 0 HB2 SER A 32 12.073 6.365 0.273 1.00 1.00 H new ATOM 0 HB3 SER A 32 11.427 5.789 1.797 1.00 1.00 H new ATOM 0 HG SER A 32 12.613 4.148 0.670 1.00 1.00 H new ATOM 318 N LEU A 33 9.016 3.906 -0.506 1.00 1.00 N ATOM 319 CA LEU A 33 8.559 2.943 -1.504 1.00 1.00 C ATOM 320 C LEU A 33 7.507 3.583 -2.402 1.00 1.00 C ATOM 321 O LEU A 33 7.531 3.416 -3.622 1.00 1.00 O ATOM 322 CB LEU A 33 7.996 1.683 -0.840 1.00 1.00 C ATOM 323 CG LEU A 33 8.738 1.217 0.417 1.00 1.00 C ATOM 324 CD1 LEU A 33 8.225 -0.143 0.868 1.00 1.00 C ATOM 325 CD2 LEU A 33 10.238 1.162 0.162 1.00 1.00 C ATOM 0 H LEU A 33 8.930 3.593 0.461 1.00 1.00 H new ATOM 0 HA LEU A 33 9.415 2.648 -2.111 1.00 1.00 H new ATOM 0 HB2 LEU A 33 6.953 1.865 -0.580 1.00 1.00 H new ATOM 0 HB3 LEU A 33 8.006 0.873 -1.569 1.00 1.00 H new ATOM 0 HG LEU A 33 8.549 1.937 1.213 1.00 1.00 H new ATOM 0 HD11 LEU A 33 8.764 -0.457 1.762 1.00 1.00 H new ATOM 0 HD12 LEU A 33 7.160 -0.074 1.092 1.00 1.00 H new ATOM 0 HD13 LEU A 33 8.383 -0.873 0.074 1.00 1.00 H new ATOM 0 HD21 LEU A 33 10.749 0.829 1.066 1.00 1.00 H new ATOM 0 HD22 LEU A 33 10.444 0.464 -0.649 1.00 1.00 H new ATOM 0 HD23 LEU A 33 10.597 2.154 -0.113 1.00 1.00 H new ATOM 337 N LEU A 34 6.603 4.344 -1.791 1.00 1.00 N ATOM 338 CA LEU A 34 5.565 5.039 -2.539 1.00 1.00 C ATOM 339 C LEU A 34 6.187 6.204 -3.294 1.00 1.00 C ATOM 340 O LEU A 34 5.869 6.455 -4.456 1.00 1.00 O ATOM 341 CB LEU A 34 4.469 5.548 -1.595 1.00 1.00 C ATOM 342 CG LEU A 34 3.928 4.506 -0.615 1.00 1.00 C ATOM 343 CD1 LEU A 34 2.873 5.123 0.290 1.00 1.00 C ATOM 344 CD2 LEU A 34 3.357 3.315 -1.370 1.00 1.00 C ATOM 0 H LEU A 34 6.570 4.493 -0.783 1.00 1.00 H new ATOM 0 HA LEU A 34 5.110 4.346 -3.246 1.00 1.00 H new ATOM 0 HB2 LEU A 34 4.862 6.391 -1.026 1.00 1.00 H new ATOM 0 HB3 LEU A 34 3.641 5.926 -2.194 1.00 1.00 H new ATOM 0 HG LEU A 34 4.751 4.156 0.008 1.00 1.00 H new ATOM 0 HD11 LEU A 34 2.499 4.367 0.981 1.00 1.00 H new ATOM 0 HD12 LEU A 34 3.314 5.945 0.855 1.00 1.00 H new ATOM 0 HD13 LEU A 34 2.049 5.500 -0.316 1.00 1.00 H new ATOM 0 HD21 LEU A 34 2.976 2.582 -0.659 1.00 1.00 H new ATOM 0 HD22 LEU A 34 2.546 3.649 -2.017 1.00 1.00 H new ATOM 0 HD23 LEU A 34 4.140 2.859 -1.976 1.00 1.00 H new ATOM 356 N LYS A 35 7.096 6.899 -2.618 1.00 1.00 N ATOM 357 CA LYS A 35 7.796 8.034 -3.202 1.00 1.00 C ATOM 358 C LYS A 35 8.380 7.667 -4.564 1.00 1.00 C ATOM 359 O LYS A 35 8.268 8.425 -5.527 1.00 1.00 O ATOM 360 CB LYS A 35 8.913 8.489 -2.261 1.00 1.00 C ATOM 361 CG LYS A 35 8.410 9.018 -0.927 1.00 1.00 C ATOM 362 CD LYS A 35 7.398 10.136 -1.112 1.00 1.00 C ATOM 363 CE LYS A 35 7.354 11.051 0.101 1.00 1.00 C ATOM 364 NZ LYS A 35 8.655 11.738 0.325 1.00 1.00 N ATOM 0 H LYS A 35 7.366 6.692 -1.656 1.00 1.00 H new ATOM 0 HA LYS A 35 7.084 8.848 -3.342 1.00 1.00 H new ATOM 0 HB2 LYS A 35 9.587 7.652 -2.079 1.00 1.00 H new ATOM 0 HB3 LYS A 35 9.497 9.267 -2.753 1.00 1.00 H new ATOM 0 HG2 LYS A 35 7.955 8.205 -0.361 1.00 1.00 H new ATOM 0 HG3 LYS A 35 9.252 9.383 -0.339 1.00 1.00 H new ATOM 0 HD2 LYS A 35 7.653 10.717 -1.998 1.00 1.00 H new ATOM 0 HD3 LYS A 35 6.410 9.709 -1.284 1.00 1.00 H new ATOM 0 HE2 LYS A 35 6.569 11.795 -0.034 1.00 1.00 H new ATOM 0 HE3 LYS A 35 7.094 10.469 0.985 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 8.490 12.647 0.802 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 9.265 11.141 0.920 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 9.121 11.906 -0.590 1.00 1.00 H new ATOM 378 N SER A 36 9.001 6.494 -4.631 1.00 1.00 N ATOM 379 CA SER A 36 9.605 6.012 -5.868 1.00 1.00 C ATOM 380 C SER A 36 8.569 5.316 -6.750 1.00 1.00 C ATOM 381 O SER A 36 8.744 5.214 -7.964 1.00 1.00 O ATOM 382 CB SER A 36 10.755 5.050 -5.554 1.00 1.00 C ATOM 383 OG SER A 36 11.974 5.516 -6.106 1.00 1.00 O ATOM 0 H SER A 36 9.099 5.858 -3.840 1.00 1.00 H new ATOM 0 HA SER A 36 9.995 6.872 -6.412 1.00 1.00 H new ATOM 0 HB2 SER A 36 10.859 4.942 -4.474 1.00 1.00 H new ATOM 0 HB3 SER A 36 10.526 4.062 -5.953 1.00 1.00 H new ATOM 0 HG SER A 36 12.693 4.886 -5.890 1.00 1.00 H new ATOM 389 N ALA A 37 7.492 4.837 -6.133 1.00 1.00 N ATOM 390 CA ALA A 37 6.432 4.150 -6.865 1.00 1.00 C ATOM 391 C ALA A 37 5.519 5.133 -7.597 1.00 1.00 C ATOM 392 O ALA A 37 4.580 4.724 -8.281 1.00 1.00 O ATOM 393 CB ALA A 37 5.617 3.282 -5.918 1.00 1.00 C ATOM 0 H ALA A 37 7.330 4.912 -5.129 1.00 1.00 H new ATOM 0 HA ALA A 37 6.906 3.518 -7.616 1.00 1.00 H new ATOM 0 HB1 ALA A 37 4.830 2.775 -6.476 1.00 1.00 H new ATOM 0 HB2 ALA A 37 6.267 2.541 -5.453 1.00 1.00 H new ATOM 0 HB3 ALA A 37 5.169 3.907 -5.146 1.00 1.00 H new ATOM 399 N GLY A 38 5.791 6.427 -7.450 1.00 1.00 N ATOM 400 CA GLY A 38 4.975 7.434 -8.102 1.00 1.00 C ATOM 401 C GLY A 38 4.149 8.237 -7.115 1.00 1.00 C ATOM 402 O GLY A 38 3.205 8.925 -7.499 1.00 1.00 O ATOM 0 H GLY A 38 6.561 6.795 -6.891 1.00 1.00 H new ATOM 0 HA2 GLY A 38 5.618 8.109 -8.667 1.00 1.00 H new ATOM 0 HA3 GLY A 38 4.311 6.951 -8.819 1.00 1.00 H new ATOM 406 N ALA A 39 4.509 8.147 -5.838 1.00 1.00 N ATOM 407 CA ALA A 39 3.801 8.867 -4.789 1.00 1.00 C ATOM 408 C ALA A 39 4.544 10.160 -4.429 1.00 1.00 C ATOM 409 O ALA A 39 5.771 10.208 -4.507 1.00 1.00 O ATOM 410 CB ALA A 39 3.640 7.976 -3.566 1.00 1.00 C ATOM 0 H ALA A 39 5.289 7.580 -5.506 1.00 1.00 H new ATOM 0 HA ALA A 39 2.810 9.139 -5.153 1.00 1.00 H new ATOM 0 HB1 ALA A 39 3.110 8.522 -2.786 1.00 1.00 H new ATOM 0 HB2 ALA A 39 3.072 7.086 -3.837 1.00 1.00 H new ATOM 0 HB3 ALA A 39 4.623 7.681 -3.199 1.00 1.00 H new ATOM 416 N GLN A 40 3.811 11.211 -4.045 1.00 1.00 N ATOM 417 CA GLN A 40 4.439 12.482 -3.696 1.00 1.00 C ATOM 418 C GLN A 40 4.239 12.820 -2.221 1.00 1.00 C ATOM 419 O GLN A 40 5.185 12.794 -1.436 1.00 1.00 O ATOM 420 CB GLN A 40 3.875 13.606 -4.567 1.00 1.00 C ATOM 421 CG GLN A 40 4.193 13.449 -6.045 1.00 1.00 C ATOM 422 CD GLN A 40 5.599 13.899 -6.389 1.00 1.00 C ATOM 423 OE1 GLN A 40 6.449 13.089 -6.759 1.00 1.00 O ATOM 424 NE2 GLN A 40 5.851 15.197 -6.269 1.00 1.00 N ATOM 0 H GLN A 40 2.794 11.204 -3.970 1.00 1.00 H new ATOM 0 HA GLN A 40 5.509 12.383 -3.878 1.00 1.00 H new ATOM 0 HB2 GLN A 40 2.793 13.645 -4.439 1.00 1.00 H new ATOM 0 HB3 GLN A 40 4.272 14.559 -4.218 1.00 1.00 H new ATOM 0 HG2 GLN A 40 4.070 12.404 -6.331 1.00 1.00 H new ATOM 0 HG3 GLN A 40 3.477 14.026 -6.630 1.00 1.00 H new ATOM 0 HE21 GLN A 40 5.116 15.833 -5.959 1.00 1.00 H new ATOM 0 HE22 GLN A 40 6.780 15.559 -6.487 1.00 1.00 H new ATOM 433 N LYS A 41 3.003 13.148 -1.853 1.00 1.00 N ATOM 434 CA LYS A 41 2.678 13.504 -0.472 1.00 1.00 C ATOM 435 C LYS A 41 3.235 12.480 0.516 1.00 1.00 C ATOM 436 O LYS A 41 3.804 11.464 0.119 1.00 1.00 O ATOM 437 CB LYS A 41 1.162 13.628 -0.296 1.00 1.00 C ATOM 438 CG LYS A 41 0.386 12.409 -0.769 1.00 1.00 C ATOM 439 CD LYS A 41 -0.066 12.557 -2.213 1.00 1.00 C ATOM 440 CE LYS A 41 -1.419 11.903 -2.443 1.00 1.00 C ATOM 441 NZ LYS A 41 -1.686 11.673 -3.889 1.00 1.00 N ATOM 0 H LYS A 41 2.208 13.175 -2.492 1.00 1.00 H new ATOM 0 HA LYS A 41 3.144 14.466 -0.261 1.00 1.00 H new ATOM 0 HB2 LYS A 41 0.941 13.801 0.757 1.00 1.00 H new ATOM 0 HB3 LYS A 41 0.813 14.504 -0.843 1.00 1.00 H new ATOM 0 HG2 LYS A 41 1.010 11.520 -0.672 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -0.483 12.260 -0.129 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -0.123 13.615 -2.471 1.00 1.00 H new ATOM 0 HD3 LYS A 41 0.674 12.107 -2.875 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -1.458 10.952 -1.911 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -2.203 12.534 -2.025 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -2.373 10.900 -3.996 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 -2.072 12.541 -4.313 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 -0.800 11.418 -4.369 1.00 1.00 H new ATOM 455 N GLU A 42 3.071 12.761 1.805 1.00 1.00 N ATOM 456 CA GLU A 42 3.561 11.870 2.851 1.00 1.00 C ATOM 457 C GLU A 42 2.480 10.884 3.285 1.00 1.00 C ATOM 458 O GLU A 42 2.780 9.772 3.718 1.00 1.00 O ATOM 459 CB GLU A 42 4.041 12.682 4.055 1.00 1.00 C ATOM 460 CG GLU A 42 2.965 13.571 4.658 1.00 1.00 C ATOM 461 CD GLU A 42 3.065 15.008 4.186 1.00 1.00 C ATOM 462 OE1 GLU A 42 2.504 15.322 3.115 1.00 1.00 O ATOM 463 OE2 GLU A 42 3.704 15.820 4.887 1.00 1.00 O ATOM 0 H GLU A 42 2.603 13.599 2.150 1.00 1.00 H new ATOM 0 HA GLU A 42 4.398 11.302 2.445 1.00 1.00 H new ATOM 0 HB2 GLU A 42 4.407 11.998 4.821 1.00 1.00 H new ATOM 0 HB3 GLU A 42 4.885 13.302 3.752 1.00 1.00 H new ATOM 0 HG2 GLU A 42 1.983 13.174 4.398 1.00 1.00 H new ATOM 0 HG3 GLU A 42 3.043 13.543 5.745 1.00 1.00 H new ATOM 470 N THR A 43 1.223 11.298 3.166 1.00 1.00 N ATOM 471 CA THR A 43 0.099 10.448 3.545 1.00 1.00 C ATOM 472 C THR A 43 -0.664 9.981 2.310 1.00 1.00 C ATOM 473 O THR A 43 -0.681 10.663 1.288 1.00 1.00 O ATOM 474 CB THR A 43 -0.843 11.200 4.488 1.00 1.00 C ATOM 475 OG1 THR A 43 -0.194 12.324 5.057 1.00 1.00 O ATOM 476 CG2 THR A 43 -1.364 10.348 5.624 1.00 1.00 C ATOM 0 H THR A 43 0.957 12.216 2.810 1.00 1.00 H new ATOM 0 HA THR A 43 0.493 9.573 4.062 1.00 1.00 H new ATOM 0 HB THR A 43 -1.686 11.503 3.867 1.00 1.00 H new ATOM 0 HG1 THR A 43 0.333 12.040 5.833 1.00 1.00 H new ATOM 0 HG21 THR A 43 -2.025 10.945 6.253 1.00 1.00 H new ATOM 0 HG22 THR A 43 -1.916 9.500 5.219 1.00 1.00 H new ATOM 0 HG23 THR A 43 -0.527 9.985 6.220 1.00 1.00 H new ATOM 484 N PHE A 44 -1.292 8.815 2.409 1.00 1.00 N ATOM 485 CA PHE A 44 -2.052 8.265 1.293 1.00 1.00 C ATOM 486 C PHE A 44 -3.209 7.404 1.785 1.00 1.00 C ATOM 487 O PHE A 44 -3.116 6.757 2.828 1.00 1.00 O ATOM 488 CB PHE A 44 -1.146 7.417 0.399 1.00 1.00 C ATOM 489 CG PHE A 44 0.084 8.128 -0.084 1.00 1.00 C ATOM 490 CD1 PHE A 44 1.206 8.224 0.723 1.00 1.00 C ATOM 491 CD2 PHE A 44 0.123 8.684 -1.351 1.00 1.00 C ATOM 492 CE1 PHE A 44 2.346 8.862 0.273 1.00 1.00 C ATOM 493 CE2 PHE A 44 1.259 9.326 -1.804 1.00 1.00 C ATOM 494 CZ PHE A 44 2.371 9.415 -0.992 1.00 1.00 C ATOM 0 H PHE A 44 -1.290 8.234 3.247 1.00 1.00 H new ATOM 0 HA PHE A 44 -2.452 9.104 0.724 1.00 1.00 H new ATOM 0 HB2 PHE A 44 -0.844 6.526 0.949 1.00 1.00 H new ATOM 0 HB3 PHE A 44 -1.720 7.080 -0.464 1.00 1.00 H new ATOM 0 HD1 PHE A 44 1.189 7.796 1.714 1.00 1.00 H new ATOM 0 HD2 PHE A 44 -0.744 8.615 -1.992 1.00 1.00 H new ATOM 0 HE1 PHE A 44 3.216 8.928 0.910 1.00 1.00 H new ATOM 0 HE2 PHE A 44 1.277 9.758 -2.794 1.00 1.00 H new ATOM 0 HZ PHE A 44 3.260 9.917 -1.345 1.00 1.00 H new ATOM 504 N THR A 45 -4.292 7.382 1.014 1.00 1.00 N ATOM 505 CA THR A 45 -5.456 6.577 1.362 1.00 1.00 C ATOM 506 C THR A 45 -5.197 5.117 1.009 1.00 1.00 C ATOM 507 O THR A 45 -4.421 4.820 0.101 1.00 1.00 O ATOM 508 CB THR A 45 -6.702 7.082 0.631 1.00 1.00 C ATOM 509 OG1 THR A 45 -6.425 7.305 -0.740 1.00 1.00 O ATOM 510 CG2 THR A 45 -7.254 8.371 1.203 1.00 1.00 C ATOM 0 H THR A 45 -4.387 7.911 0.147 1.00 1.00 H new ATOM 0 HA THR A 45 -5.631 6.662 2.435 1.00 1.00 H new ATOM 0 HB THR A 45 -7.448 6.298 0.761 1.00 1.00 H new ATOM 0 HG1 THR A 45 -7.235 7.626 -1.189 1.00 1.00 H new ATOM 0 HG21 THR A 45 -8.136 8.672 0.638 1.00 1.00 H new ATOM 0 HG22 THR A 45 -7.527 8.218 2.247 1.00 1.00 H new ATOM 0 HG23 THR A 45 -6.497 9.152 1.136 1.00 1.00 H new ATOM 518 N MET A 46 -5.836 4.208 1.739 1.00 1.00 N ATOM 519 CA MET A 46 -5.662 2.780 1.511 1.00 1.00 C ATOM 520 C MET A 46 -5.691 2.432 0.024 1.00 1.00 C ATOM 521 O MET A 46 -5.053 1.472 -0.406 1.00 1.00 O ATOM 522 CB MET A 46 -6.737 1.996 2.259 1.00 1.00 C ATOM 523 CG MET A 46 -6.176 0.808 3.009 1.00 1.00 C ATOM 524 SD MET A 46 -5.449 1.262 4.593 1.00 1.00 S ATOM 525 CE MET A 46 -3.732 0.850 4.291 1.00 1.00 C ATOM 0 H MET A 46 -6.481 4.437 2.495 1.00 1.00 H new ATOM 0 HA MET A 46 -4.680 2.501 1.892 1.00 1.00 H new ATOM 0 HB2 MET A 46 -7.242 2.659 2.962 1.00 1.00 H new ATOM 0 HB3 MET A 46 -7.489 1.651 1.550 1.00 1.00 H new ATOM 0 HG2 MET A 46 -6.971 0.080 3.174 1.00 1.00 H new ATOM 0 HG3 MET A 46 -5.420 0.320 2.394 1.00 1.00 H new ATOM 0 HE1 MET A 46 -3.492 -0.092 4.784 1.00 1.00 H new ATOM 0 HE2 MET A 46 -3.565 0.751 3.218 1.00 1.00 H new ATOM 0 HE3 MET A 46 -3.093 1.640 4.687 1.00 1.00 H new ATOM 535 N LYS A 47 -6.425 3.214 -0.757 1.00 1.00 N ATOM 536 CA LYS A 47 -6.517 2.976 -2.193 1.00 1.00 C ATOM 537 C LYS A 47 -5.217 3.368 -2.887 1.00 1.00 C ATOM 538 O LYS A 47 -4.619 2.565 -3.602 1.00 1.00 O ATOM 539 CB LYS A 47 -7.692 3.755 -2.790 1.00 1.00 C ATOM 540 CG LYS A 47 -8.706 2.873 -3.501 1.00 1.00 C ATOM 541 CD LYS A 47 -9.517 2.050 -2.513 1.00 1.00 C ATOM 542 CE LYS A 47 -10.291 2.937 -1.551 1.00 1.00 C ATOM 543 NZ LYS A 47 -11.340 2.177 -0.817 1.00 1.00 N ATOM 0 H LYS A 47 -6.963 4.014 -0.424 1.00 1.00 H new ATOM 0 HA LYS A 47 -6.687 1.911 -2.353 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -8.195 4.304 -1.994 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -7.308 4.493 -3.494 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -9.376 3.494 -4.096 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -8.190 2.208 -4.193 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -10.211 1.408 -3.056 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -8.851 1.396 -1.950 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -9.601 3.386 -0.836 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -10.754 3.754 -2.104 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -11.845 2.817 -0.172 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -12.013 1.769 -1.497 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -10.896 1.413 -0.269 1.00 1.00 H new ATOM 557 N GLU A 48 -4.779 4.605 -2.667 1.00 1.00 N ATOM 558 CA GLU A 48 -3.544 5.091 -3.270 1.00 1.00 C ATOM 559 C GLU A 48 -2.350 4.297 -2.756 1.00 1.00 C ATOM 560 O GLU A 48 -1.488 3.882 -3.531 1.00 1.00 O ATOM 561 CB GLU A 48 -3.346 6.579 -2.975 1.00 1.00 C ATOM 562 CG GLU A 48 -4.604 7.412 -3.167 1.00 1.00 C ATOM 563 CD GLU A 48 -4.418 8.525 -4.180 1.00 1.00 C ATOM 564 OE1 GLU A 48 -3.672 9.481 -3.882 1.00 1.00 O ATOM 565 OE2 GLU A 48 -5.018 8.439 -5.272 1.00 1.00 O ATOM 0 H GLU A 48 -5.259 5.285 -2.078 1.00 1.00 H new ATOM 0 HA GLU A 48 -3.620 4.956 -4.349 1.00 1.00 H new ATOM 0 HB2 GLU A 48 -2.998 6.694 -1.949 1.00 1.00 H new ATOM 0 HB3 GLU A 48 -2.561 6.968 -3.623 1.00 1.00 H new ATOM 0 HG2 GLU A 48 -5.419 6.764 -3.490 1.00 1.00 H new ATOM 0 HG3 GLU A 48 -4.900 7.842 -2.210 1.00 1.00 H new ATOM 572 N VAL A 49 -2.310 4.077 -1.444 1.00 1.00 N ATOM 573 CA VAL A 49 -1.223 3.319 -0.830 1.00 1.00 C ATOM 574 C VAL A 49 -1.063 1.971 -1.518 1.00 1.00 C ATOM 575 O VAL A 49 -0.006 1.660 -2.069 1.00 1.00 O ATOM 576 CB VAL A 49 -1.469 3.082 0.674 1.00 1.00 C ATOM 577 CG1 VAL A 49 -0.215 2.536 1.339 1.00 1.00 C ATOM 578 CG2 VAL A 49 -1.931 4.362 1.358 1.00 1.00 C ATOM 0 H VAL A 49 -3.015 4.412 -0.787 1.00 1.00 H new ATOM 0 HA VAL A 49 -0.315 3.911 -0.947 1.00 1.00 H new ATOM 0 HB VAL A 49 -2.262 2.342 0.777 1.00 1.00 H new ATOM 0 HG11 VAL A 49 -0.407 2.375 2.400 1.00 1.00 H new ATOM 0 HG12 VAL A 49 0.062 1.591 0.872 1.00 1.00 H new ATOM 0 HG13 VAL A 49 0.600 3.251 1.222 1.00 1.00 H new ATOM 0 HG21 VAL A 49 -2.098 4.169 2.418 1.00 1.00 H new ATOM 0 HG22 VAL A 49 -1.167 5.131 1.245 1.00 1.00 H new ATOM 0 HG23 VAL A 49 -2.860 4.704 0.901 1.00 1.00 H new ATOM 588 N LEU A 50 -2.128 1.180 -1.490 1.00 1.00 N ATOM 589 CA LEU A 50 -2.128 -0.134 -2.117 1.00 1.00 C ATOM 590 C LEU A 50 -1.873 -0.025 -3.622 1.00 1.00 C ATOM 591 O LEU A 50 -1.516 -1.008 -4.271 1.00 1.00 O ATOM 592 CB LEU A 50 -3.466 -0.833 -1.860 1.00 1.00 C ATOM 593 CG LEU A 50 -3.363 -2.308 -1.472 1.00 1.00 C ATOM 594 CD1 LEU A 50 -4.671 -2.792 -0.864 1.00 1.00 C ATOM 595 CD2 LEU A 50 -2.990 -3.157 -2.678 1.00 1.00 C ATOM 0 H LEU A 50 -3.007 1.428 -1.037 1.00 1.00 H new ATOM 0 HA LEU A 50 -1.323 -0.723 -1.679 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -3.990 -0.300 -1.066 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -4.079 -0.751 -2.757 1.00 1.00 H new ATOM 0 HG LEU A 50 -2.576 -2.410 -0.725 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -4.579 -3.844 -0.594 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -4.896 -2.207 0.027 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -5.476 -2.673 -1.590 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -2.922 -4.203 -2.379 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -3.753 -3.048 -3.449 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -2.028 -2.828 -3.071 1.00 1.00 H new ATOM 607 N TYR A 51 -2.064 1.174 -4.173 1.00 1.00 N ATOM 608 CA TYR A 51 -1.860 1.401 -5.601 1.00 1.00 C ATOM 609 C TYR A 51 -0.376 1.538 -5.942 1.00 1.00 C ATOM 610 O TYR A 51 0.137 0.810 -6.792 1.00 1.00 O ATOM 611 CB TYR A 51 -2.620 2.649 -6.058 1.00 1.00 C ATOM 612 CG TYR A 51 -2.911 2.670 -7.542 1.00 1.00 C ATOM 613 CD1 TYR A 51 -3.999 1.984 -8.066 1.00 1.00 C ATOM 614 CD2 TYR A 51 -2.096 3.376 -8.420 1.00 1.00 C ATOM 615 CE1 TYR A 51 -4.268 2.000 -9.421 1.00 1.00 C ATOM 616 CE2 TYR A 51 -2.359 3.397 -9.776 1.00 1.00 C ATOM 617 CZ TYR A 51 -3.446 2.708 -10.272 1.00 1.00 C ATOM 618 OH TYR A 51 -3.710 2.726 -11.622 1.00 1.00 O ATOM 0 H TYR A 51 -2.359 2.000 -3.652 1.00 1.00 H new ATOM 0 HA TYR A 51 -2.248 0.531 -6.131 1.00 1.00 H new ATOM 0 HB2 TYR A 51 -3.561 2.712 -5.511 1.00 1.00 H new ATOM 0 HB3 TYR A 51 -2.039 3.534 -5.797 1.00 1.00 H new ATOM 0 HD1 TYR A 51 -4.646 1.429 -7.403 1.00 1.00 H new ATOM 0 HD2 TYR A 51 -1.244 3.917 -8.036 1.00 1.00 H new ATOM 0 HE1 TYR A 51 -5.118 1.461 -9.812 1.00 1.00 H new ATOM 0 HE2 TYR A 51 -1.716 3.950 -10.445 1.00 1.00 H new ATOM 0 HH TYR A 51 -3.037 3.271 -12.080 1.00 1.00 H new ATOM 628 N HIS A 52 0.312 2.471 -5.285 1.00 1.00 N ATOM 629 CA HIS A 52 1.734 2.679 -5.544 1.00 1.00 C ATOM 630 C HIS A 52 2.552 1.490 -5.057 1.00 1.00 C ATOM 631 O HIS A 52 3.580 1.151 -5.643 1.00 1.00 O ATOM 632 CB HIS A 52 2.244 3.957 -4.870 1.00 1.00 C ATOM 633 CG HIS A 52 1.262 5.087 -4.864 1.00 1.00 C ATOM 634 ND1 HIS A 52 0.926 5.799 -5.995 1.00 1.00 N ATOM 635 CD2 HIS A 52 0.557 5.642 -3.850 1.00 1.00 C ATOM 636 CE1 HIS A 52 0.059 6.744 -5.677 1.00 1.00 C ATOM 637 NE2 HIS A 52 -0.182 6.670 -4.381 1.00 1.00 N ATOM 0 H HIS A 52 -0.087 3.088 -4.578 1.00 1.00 H new ATOM 0 HA HIS A 52 1.854 2.781 -6.623 1.00 1.00 H new ATOM 0 HB2 HIS A 52 2.519 3.726 -3.841 1.00 1.00 H new ATOM 0 HB3 HIS A 52 3.152 4.283 -5.377 1.00 1.00 H new ATOM 0 HD1 HIS A 52 1.290 5.624 -6.932 1.00 1.00 H new ATOM 0 HD2 HIS A 52 0.573 5.333 -2.815 1.00 1.00 H new ATOM 0 HE1 HIS A 52 -0.378 7.456 -6.361 1.00 1.00 H new ATOM 646 N LEU A 53 2.092 0.858 -3.983 1.00 1.00 N ATOM 647 CA LEU A 53 2.778 -0.285 -3.425 1.00 1.00 C ATOM 648 C LEU A 53 2.817 -1.426 -4.437 1.00 1.00 C ATOM 649 O LEU A 53 3.847 -2.075 -4.616 1.00 1.00 O ATOM 650 CB LEU A 53 2.082 -0.724 -2.141 1.00 1.00 C ATOM 651 CG LEU A 53 2.625 -2.007 -1.541 1.00 1.00 C ATOM 652 CD1 LEU A 53 4.082 -1.827 -1.144 1.00 1.00 C ATOM 653 CD2 LEU A 53 1.788 -2.443 -0.349 1.00 1.00 C ATOM 0 H LEU A 53 1.243 1.125 -3.485 1.00 1.00 H new ATOM 0 HA LEU A 53 3.805 -0.007 -3.190 1.00 1.00 H new ATOM 0 HB2 LEU A 53 2.170 0.074 -1.403 1.00 1.00 H new ATOM 0 HB3 LEU A 53 1.019 -0.854 -2.344 1.00 1.00 H new ATOM 0 HG LEU A 53 2.568 -2.793 -2.294 1.00 1.00 H new ATOM 0 HD11 LEU A 53 4.459 -2.755 -0.715 1.00 1.00 H new ATOM 0 HD12 LEU A 53 4.670 -1.569 -2.025 1.00 1.00 H new ATOM 0 HD13 LEU A 53 4.162 -1.028 -0.407 1.00 1.00 H new ATOM 0 HD21 LEU A 53 2.196 -3.365 0.065 1.00 1.00 H new ATOM 0 HD22 LEU A 53 1.807 -1.664 0.413 1.00 1.00 H new ATOM 0 HD23 LEU A 53 0.760 -2.613 -0.669 1.00 1.00 H new ATOM 665 N GLY A 54 1.694 -1.652 -5.112 1.00 1.00 N ATOM 666 CA GLY A 54 1.639 -2.699 -6.114 1.00 1.00 C ATOM 667 C GLY A 54 2.592 -2.416 -7.254 1.00 1.00 C ATOM 668 O GLY A 54 3.218 -3.327 -7.797 1.00 1.00 O ATOM 0 H GLY A 54 0.826 -1.132 -4.984 1.00 1.00 H new ATOM 0 HA2 GLY A 54 1.889 -3.657 -5.657 1.00 1.00 H new ATOM 0 HA3 GLY A 54 0.623 -2.785 -6.499 1.00 1.00 H new ATOM 672 N GLN A 55 2.714 -1.138 -7.602 1.00 1.00 N ATOM 673 CA GLN A 55 3.610 -0.717 -8.668 1.00 1.00 C ATOM 674 C GLN A 55 5.058 -0.775 -8.190 1.00 1.00 C ATOM 675 O GLN A 55 5.980 -0.957 -8.984 1.00 1.00 O ATOM 676 CB GLN A 55 3.266 0.702 -9.126 1.00 1.00 C ATOM 677 CG GLN A 55 1.835 0.854 -9.612 1.00 1.00 C ATOM 678 CD GLN A 55 1.481 2.291 -9.944 1.00 1.00 C ATOM 679 OE1 GLN A 55 1.846 2.803 -11.003 1.00 1.00 O ATOM 680 NE2 GLN A 55 0.768 2.949 -9.038 1.00 1.00 N ATOM 0 H GLN A 55 2.201 -0.376 -7.158 1.00 1.00 H new ATOM 0 HA GLN A 55 3.488 -1.395 -9.512 1.00 1.00 H new ATOM 0 HB2 GLN A 55 3.436 1.393 -8.300 1.00 1.00 H new ATOM 0 HB3 GLN A 55 3.946 0.991 -9.928 1.00 1.00 H new ATOM 0 HG2 GLN A 55 1.688 0.234 -10.496 1.00 1.00 H new ATOM 0 HG3 GLN A 55 1.154 0.484 -8.846 1.00 1.00 H new ATOM 0 HE21 GLN A 55 0.487 2.485 -8.174 1.00 1.00 H new ATOM 0 HE22 GLN A 55 0.501 3.919 -9.206 1.00 1.00 H new ATOM 689 N TYR A 56 5.246 -0.628 -6.881 1.00 1.00 N ATOM 690 CA TYR A 56 6.576 -0.673 -6.288 1.00 1.00 C ATOM 691 C TYR A 56 7.206 -2.046 -6.504 1.00 1.00 C ATOM 692 O TYR A 56 8.421 -2.168 -6.653 1.00 1.00 O ATOM 693 CB TYR A 56 6.499 -0.357 -4.789 1.00 1.00 C ATOM 694 CG TYR A 56 7.796 -0.593 -4.048 1.00 1.00 C ATOM 695 CD1 TYR A 56 8.091 -1.838 -3.511 1.00 1.00 C ATOM 696 CD2 TYR A 56 8.729 0.425 -3.894 1.00 1.00 C ATOM 697 CE1 TYR A 56 9.275 -2.064 -2.839 1.00 1.00 C ATOM 698 CE2 TYR A 56 9.919 0.207 -3.225 1.00 1.00 C ATOM 699 CZ TYR A 56 10.186 -1.039 -2.699 1.00 1.00 C ATOM 700 OH TYR A 56 11.369 -1.260 -2.032 1.00 1.00 O ATOM 0 H TYR A 56 4.492 -0.477 -6.211 1.00 1.00 H new ATOM 0 HA TYR A 56 7.199 0.078 -6.774 1.00 1.00 H new ATOM 0 HB2 TYR A 56 6.203 0.684 -4.661 1.00 1.00 H new ATOM 0 HB3 TYR A 56 5.717 -0.968 -4.338 1.00 1.00 H new ATOM 0 HD1 TYR A 56 7.381 -2.645 -3.621 1.00 1.00 H new ATOM 0 HD2 TYR A 56 8.521 1.402 -4.304 1.00 1.00 H new ATOM 0 HE1 TYR A 56 9.487 -3.039 -2.425 1.00 1.00 H new ATOM 0 HE2 TYR A 56 10.635 1.008 -3.115 1.00 1.00 H new ATOM 0 HH TYR A 56 12.112 -1.247 -2.671 1.00 1.00 H new ATOM 710 N ILE A 57 6.366 -3.077 -6.516 1.00 1.00 N ATOM 711 CA ILE A 57 6.832 -4.444 -6.709 1.00 1.00 C ATOM 712 C ILE A 57 7.205 -4.703 -8.166 1.00 1.00 C ATOM 713 O ILE A 57 8.313 -5.149 -8.462 1.00 1.00 O ATOM 714 CB ILE A 57 5.763 -5.465 -6.275 1.00 1.00 C ATOM 715 CG1 ILE A 57 5.264 -5.143 -4.866 1.00 1.00 C ATOM 716 CG2 ILE A 57 6.318 -6.880 -6.336 1.00 1.00 C ATOM 717 CD1 ILE A 57 4.170 -6.071 -4.387 1.00 1.00 C ATOM 0 H ILE A 57 5.357 -2.990 -6.394 1.00 1.00 H new ATOM 0 HA ILE A 57 7.718 -4.566 -6.086 1.00 1.00 H new ATOM 0 HB ILE A 57 4.921 -5.400 -6.964 1.00 1.00 H new ATOM 0 HG12 ILE A 57 6.103 -5.194 -4.172 1.00 1.00 H new ATOM 0 HG13 ILE A 57 4.895 -4.118 -4.845 1.00 1.00 H new ATOM 0 HG21 ILE A 57 5.548 -7.586 -6.026 1.00 1.00 H new ATOM 0 HG22 ILE A 57 6.628 -7.106 -7.356 1.00 1.00 H new ATOM 0 HG23 ILE A 57 7.176 -6.963 -5.669 1.00 1.00 H new ATOM 0 HD11 ILE A 57 3.864 -5.784 -3.381 1.00 1.00 H new ATOM 0 HD12 ILE A 57 3.315 -6.003 -5.059 1.00 1.00 H new ATOM 0 HD13 ILE A 57 4.541 -7.096 -4.375 1.00 1.00 H new ATOM 729 N MET A 58 6.272 -4.424 -9.073 1.00 1.00 N ATOM 730 CA MET A 58 6.508 -4.634 -10.498 1.00 1.00 C ATOM 731 C MET A 58 7.726 -3.847 -10.974 1.00 1.00 C ATOM 732 O MET A 58 8.543 -4.356 -11.742 1.00 1.00 O ATOM 733 CB MET A 58 5.274 -4.234 -11.309 1.00 1.00 C ATOM 734 CG MET A 58 4.969 -2.747 -11.264 1.00 1.00 C ATOM 735 SD MET A 58 3.384 -2.338 -12.020 1.00 1.00 S ATOM 736 CE MET A 58 3.611 -0.595 -12.362 1.00 1.00 C ATOM 0 H MET A 58 5.349 -4.053 -8.847 1.00 1.00 H new ATOM 0 HA MET A 58 6.704 -5.695 -10.653 1.00 1.00 H new ATOM 0 HB2 MET A 58 5.419 -4.535 -12.347 1.00 1.00 H new ATOM 0 HB3 MET A 58 4.411 -4.784 -10.935 1.00 1.00 H new ATOM 0 HG2 MET A 58 4.969 -2.412 -10.227 1.00 1.00 H new ATOM 0 HG3 MET A 58 5.762 -2.202 -11.776 1.00 1.00 H new ATOM 0 HE1 MET A 58 2.646 -0.090 -12.333 1.00 1.00 H new ATOM 0 HE2 MET A 58 4.271 -0.160 -11.611 1.00 1.00 H new ATOM 0 HE3 MET A 58 4.055 -0.473 -13.350 1.00 1.00 H new ATOM 746 N ALA A 59 7.845 -2.605 -10.513 1.00 1.00 N ATOM 747 CA ALA A 59 8.968 -1.757 -10.896 1.00 1.00 C ATOM 748 C ALA A 59 10.286 -2.351 -10.412 1.00 1.00 C ATOM 749 O ALA A 59 11.180 -2.636 -11.208 1.00 1.00 O ATOM 750 CB ALA A 59 8.782 -0.351 -10.344 1.00 1.00 C ATOM 0 H ALA A 59 7.180 -2.165 -9.876 1.00 1.00 H new ATOM 0 HA ALA A 59 9.000 -1.702 -11.984 1.00 1.00 H new ATOM 0 HB1 ALA A 59 9.628 0.270 -10.638 1.00 1.00 H new ATOM 0 HB2 ALA A 59 7.862 0.077 -10.742 1.00 1.00 H new ATOM 0 HB3 ALA A 59 8.723 -0.392 -9.256 1.00 1.00 H new ATOM 756 N LYS A 60 10.397 -2.542 -9.101 1.00 1.00 N ATOM 757 CA LYS A 60 11.601 -3.109 -8.510 1.00 1.00 C ATOM 758 C LYS A 60 11.819 -4.542 -8.991 1.00 1.00 C ATOM 759 O LYS A 60 12.945 -5.040 -8.999 1.00 1.00 O ATOM 760 CB LYS A 60 11.494 -3.078 -6.986 1.00 1.00 C ATOM 761 CG LYS A 60 12.105 -1.839 -6.345 1.00 1.00 C ATOM 762 CD LYS A 60 11.658 -0.554 -7.028 1.00 1.00 C ATOM 763 CE LYS A 60 10.403 0.013 -6.384 1.00 1.00 C ATOM 764 NZ LYS A 60 9.435 0.510 -7.400 1.00 1.00 N ATOM 0 H LYS A 60 9.666 -2.312 -8.428 1.00 1.00 H new ATOM 0 HA LYS A 60 12.456 -2.510 -8.823 1.00 1.00 H new ATOM 0 HB2 LYS A 60 10.443 -3.138 -6.705 1.00 1.00 H new ATOM 0 HB3 LYS A 60 11.984 -3.963 -6.580 1.00 1.00 H new ATOM 0 HG2 LYS A 60 11.827 -1.803 -5.292 1.00 1.00 H new ATOM 0 HG3 LYS A 60 13.192 -1.910 -6.386 1.00 1.00 H new ATOM 0 HD2 LYS A 60 12.459 0.184 -6.977 1.00 1.00 H new ATOM 0 HD3 LYS A 60 11.470 -0.749 -8.084 1.00 1.00 H new ATOM 0 HE2 LYS A 60 9.928 -0.756 -5.775 1.00 1.00 H new ATOM 0 HE3 LYS A 60 10.675 0.827 -5.713 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 8.861 1.274 -6.989 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 9.954 0.872 -8.225 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 8.813 -0.269 -7.697 1.00 1.00 H new ATOM 778 N GLN A 61 10.733 -5.199 -9.392 1.00 1.00 N ATOM 779 CA GLN A 61 10.799 -6.574 -9.876 1.00 1.00 C ATOM 780 C GLN A 61 11.119 -7.540 -8.739 1.00 1.00 C ATOM 781 O GLN A 61 12.154 -8.207 -8.746 1.00 1.00 O ATOM 782 CB GLN A 61 11.847 -6.702 -10.986 1.00 1.00 C ATOM 783 CG GLN A 61 11.579 -7.848 -11.948 1.00 1.00 C ATOM 784 CD GLN A 61 11.166 -7.370 -13.326 1.00 1.00 C ATOM 785 OE1 GLN A 61 11.685 -7.838 -14.340 1.00 1.00 O ATOM 786 NE2 GLN A 61 10.226 -6.433 -13.371 1.00 1.00 N ATOM 0 H GLN A 61 9.795 -4.799 -9.391 1.00 1.00 H new ATOM 0 HA GLN A 61 9.821 -6.834 -10.282 1.00 1.00 H new ATOM 0 HB2 GLN A 61 11.885 -5.769 -11.548 1.00 1.00 H new ATOM 0 HB3 GLN A 61 12.829 -6.841 -10.533 1.00 1.00 H new ATOM 0 HG2 GLN A 61 12.476 -8.462 -12.034 1.00 1.00 H new ATOM 0 HG3 GLN A 61 10.795 -8.485 -11.539 1.00 1.00 H new ATOM 0 HE21 GLN A 61 9.823 -6.073 -12.506 1.00 1.00 H new ATOM 0 HE22 GLN A 61 9.907 -6.073 -14.271 1.00 1.00 H new ATOM 795 N LEU A 62 10.218 -7.614 -7.763 1.00 1.00 N ATOM 796 CA LEU A 62 10.399 -8.502 -6.620 1.00 1.00 C ATOM 797 C LEU A 62 9.608 -9.798 -6.796 1.00 1.00 C ATOM 798 O LEU A 62 9.684 -10.697 -5.958 1.00 1.00 O ATOM 799 CB LEU A 62 9.967 -7.804 -5.328 1.00 1.00 C ATOM 800 CG LEU A 62 10.545 -6.404 -5.117 1.00 1.00 C ATOM 801 CD1 LEU A 62 10.080 -5.833 -3.787 1.00 1.00 C ATOM 802 CD2 LEU A 62 12.065 -6.438 -5.179 1.00 1.00 C ATOM 0 H LEU A 62 9.356 -7.070 -7.741 1.00 1.00 H new ATOM 0 HA LEU A 62 11.458 -8.751 -6.557 1.00 1.00 H new ATOM 0 HB2 LEU A 62 8.879 -7.735 -5.318 1.00 1.00 H new ATOM 0 HB3 LEU A 62 10.255 -8.429 -4.483 1.00 1.00 H new ATOM 0 HG LEU A 62 10.183 -5.758 -5.917 1.00 1.00 H new ATOM 0 HD11 LEU A 62 10.500 -4.836 -3.652 1.00 1.00 H new ATOM 0 HD12 LEU A 62 8.992 -5.772 -3.778 1.00 1.00 H new ATOM 0 HD13 LEU A 62 10.414 -6.480 -2.976 1.00 1.00 H new ATOM 0 HD21 LEU A 62 12.458 -5.433 -5.027 1.00 1.00 H new ATOM 0 HD22 LEU A 62 12.446 -7.098 -4.400 1.00 1.00 H new ATOM 0 HD23 LEU A 62 12.381 -6.807 -6.155 1.00 1.00 H new ATOM 814 N TYR A 63 8.848 -9.891 -7.885 1.00 1.00 N ATOM 815 CA TYR A 63 8.050 -11.080 -8.158 1.00 1.00 C ATOM 816 C TYR A 63 8.914 -12.190 -8.748 1.00 1.00 C ATOM 817 O TYR A 63 9.971 -11.928 -9.321 1.00 1.00 O ATOM 818 CB TYR A 63 6.904 -10.741 -9.113 1.00 1.00 C ATOM 819 CG TYR A 63 7.365 -10.141 -10.422 1.00 1.00 C ATOM 820 CD1 TYR A 63 7.940 -10.933 -11.407 1.00 1.00 C ATOM 821 CD2 TYR A 63 7.225 -8.781 -10.672 1.00 1.00 C ATOM 822 CE1 TYR A 63 8.365 -10.388 -12.604 1.00 1.00 C ATOM 823 CE2 TYR A 63 7.646 -8.228 -11.867 1.00 1.00 C ATOM 824 CZ TYR A 63 8.216 -9.036 -12.829 1.00 1.00 C ATOM 825 OH TYR A 63 8.636 -8.489 -14.019 1.00 1.00 O ATOM 0 H TYR A 63 8.769 -9.158 -8.590 1.00 1.00 H new ATOM 0 HA TYR A 63 7.633 -11.434 -7.215 1.00 1.00 H new ATOM 0 HB2 TYR A 63 6.334 -11.647 -9.319 1.00 1.00 H new ATOM 0 HB3 TYR A 63 6.227 -10.043 -8.621 1.00 1.00 H new ATOM 0 HD1 TYR A 63 8.057 -11.993 -11.235 1.00 1.00 H new ATOM 0 HD2 TYR A 63 6.780 -8.146 -9.920 1.00 1.00 H new ATOM 0 HE1 TYR A 63 8.811 -11.018 -13.359 1.00 1.00 H new ATOM 0 HE2 TYR A 63 7.529 -7.169 -12.046 1.00 1.00 H new ATOM 0 HH TYR A 63 8.078 -7.714 -14.238 1.00 1.00 H new ATOM 835 N ASP A 64 8.459 -13.429 -8.599 1.00 1.00 N ATOM 836 CA ASP A 64 9.193 -14.581 -9.112 1.00 1.00 C ATOM 837 C ASP A 64 8.779 -14.903 -10.544 1.00 1.00 C ATOM 838 O ASP A 64 7.616 -14.747 -10.915 1.00 1.00 O ATOM 839 CB ASP A 64 8.958 -15.798 -8.216 1.00 1.00 C ATOM 840 CG ASP A 64 9.768 -17.004 -8.652 1.00 1.00 C ATOM 841 OD1 ASP A 64 10.729 -16.824 -9.430 1.00 1.00 O ATOM 842 OD2 ASP A 64 9.443 -18.127 -8.215 1.00 1.00 O ATOM 0 H ASP A 64 7.585 -13.662 -8.127 1.00 1.00 H new ATOM 0 HA ASP A 64 10.254 -14.332 -9.110 1.00 1.00 H new ATOM 0 HB2 ASP A 64 9.216 -15.544 -7.188 1.00 1.00 H new ATOM 0 HB3 ASP A 64 7.898 -16.053 -8.225 1.00 1.00 H new ATOM 847 N GLU A 65 9.738 -15.359 -11.344 1.00 1.00 N ATOM 848 CA GLU A 65 9.470 -15.709 -12.734 1.00 1.00 C ATOM 849 C GLU A 65 8.491 -16.876 -12.813 1.00 1.00 C ATOM 850 O GLU A 65 7.478 -16.801 -13.508 1.00 1.00 O ATOM 851 CB GLU A 65 10.771 -16.065 -13.455 1.00 1.00 C ATOM 852 CG GLU A 65 11.392 -14.896 -14.202 1.00 1.00 C ATOM 853 CD GLU A 65 10.507 -14.385 -15.322 1.00 1.00 C ATOM 854 OE1 GLU A 65 9.957 -15.219 -16.072 1.00 1.00 O ATOM 855 OE2 GLU A 65 10.364 -13.151 -15.450 1.00 1.00 O ATOM 0 H GLU A 65 10.706 -15.495 -11.054 1.00 1.00 H new ATOM 0 HA GLU A 65 9.022 -14.845 -13.224 1.00 1.00 H new ATOM 0 HB2 GLU A 65 11.489 -16.442 -12.727 1.00 1.00 H new ATOM 0 HB3 GLU A 65 10.577 -16.874 -14.160 1.00 1.00 H new ATOM 0 HG2 GLU A 65 11.590 -14.085 -13.501 1.00 1.00 H new ATOM 0 HG3 GLU A 65 12.353 -15.202 -14.614 1.00 1.00 H new ATOM 862 N LYS A 66 8.793 -17.951 -12.088 1.00 1.00 N ATOM 863 CA LYS A 66 7.930 -19.127 -12.071 1.00 1.00 C ATOM 864 C LYS A 66 6.498 -18.728 -11.731 1.00 1.00 C ATOM 865 O LYS A 66 5.592 -18.864 -12.553 1.00 1.00 O ATOM 866 CB LYS A 66 8.447 -20.151 -11.060 1.00 1.00 C ATOM 867 CG LYS A 66 9.884 -20.579 -11.311 1.00 1.00 C ATOM 868 CD LYS A 66 10.845 -19.913 -10.339 1.00 1.00 C ATOM 869 CE LYS A 66 12.209 -19.690 -10.970 1.00 1.00 C ATOM 870 NZ LYS A 66 12.256 -18.430 -11.763 1.00 1.00 N ATOM 0 H LYS A 66 9.627 -18.031 -11.506 1.00 1.00 H new ATOM 0 HA LYS A 66 7.941 -19.579 -13.063 1.00 1.00 H new ATOM 0 HB2 LYS A 66 8.372 -19.730 -10.057 1.00 1.00 H new ATOM 0 HB3 LYS A 66 7.804 -21.031 -11.085 1.00 1.00 H new ATOM 0 HG2 LYS A 66 9.963 -21.662 -11.217 1.00 1.00 H new ATOM 0 HG3 LYS A 66 10.166 -20.326 -12.333 1.00 1.00 H new ATOM 0 HD2 LYS A 66 10.432 -18.958 -10.015 1.00 1.00 H new ATOM 0 HD3 LYS A 66 10.952 -20.533 -9.449 1.00 1.00 H new ATOM 0 HE2 LYS A 66 12.969 -19.656 -10.189 1.00 1.00 H new ATOM 0 HE3 LYS A 66 12.453 -20.534 -11.615 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 13.208 -18.307 -12.163 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 11.560 -18.479 -12.535 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 12.032 -17.623 -11.146 1.00 1.00 H new ATOM 884 N GLN A 67 6.306 -18.216 -10.519 1.00 1.00 N ATOM 885 CA GLN A 67 4.993 -17.776 -10.078 1.00 1.00 C ATOM 886 C GLN A 67 4.890 -16.259 -10.173 1.00 1.00 C ATOM 887 O GLN A 67 5.693 -15.536 -9.583 1.00 1.00 O ATOM 888 CB GLN A 67 4.734 -18.223 -8.637 1.00 1.00 C ATOM 889 CG GLN A 67 4.643 -19.732 -8.459 1.00 1.00 C ATOM 890 CD GLN A 67 3.861 -20.413 -9.568 1.00 1.00 C ATOM 891 OE1 GLN A 67 2.639 -20.537 -9.497 1.00 1.00 O ATOM 892 NE2 GLN A 67 4.567 -20.859 -10.601 1.00 1.00 N ATOM 0 H GLN A 67 7.046 -18.097 -9.827 1.00 1.00 H new ATOM 0 HA GLN A 67 4.242 -18.228 -10.726 1.00 1.00 H new ATOM 0 HB2 GLN A 67 5.532 -17.841 -8.001 1.00 1.00 H new ATOM 0 HB3 GLN A 67 3.805 -17.771 -8.289 1.00 1.00 H new ATOM 0 HG2 GLN A 67 5.649 -20.149 -8.422 1.00 1.00 H new ATOM 0 HG3 GLN A 67 4.171 -19.952 -7.501 1.00 1.00 H new ATOM 0 HE21 GLN A 67 5.579 -20.735 -10.619 1.00 1.00 H new ATOM 0 HE22 GLN A 67 4.097 -21.326 -11.377 1.00 1.00 H new ATOM 901 N GLN A 68 3.903 -15.779 -10.919 1.00 1.00 N ATOM 902 CA GLN A 68 3.709 -14.344 -11.087 1.00 1.00 C ATOM 903 C GLN A 68 2.982 -13.735 -9.888 1.00 1.00 C ATOM 904 O GLN A 68 2.749 -12.527 -9.845 1.00 1.00 O ATOM 905 CB GLN A 68 2.933 -14.060 -12.374 1.00 1.00 C ATOM 906 CG GLN A 68 3.828 -13.828 -13.581 1.00 1.00 C ATOM 907 CD GLN A 68 4.168 -15.113 -14.310 1.00 1.00 C ATOM 908 OE1 GLN A 68 3.285 -15.809 -14.810 1.00 1.00 O ATOM 909 NE2 GLN A 68 5.456 -15.434 -14.374 1.00 1.00 N ATOM 0 H GLN A 68 3.227 -16.359 -11.416 1.00 1.00 H new ATOM 0 HA GLN A 68 4.693 -13.880 -11.154 1.00 1.00 H new ATOM 0 HB2 GLN A 68 2.267 -14.898 -12.580 1.00 1.00 H new ATOM 0 HB3 GLN A 68 2.304 -13.183 -12.224 1.00 1.00 H new ATOM 0 HG2 GLN A 68 3.333 -13.144 -14.270 1.00 1.00 H new ATOM 0 HG3 GLN A 68 4.749 -13.343 -13.258 1.00 1.00 H new ATOM 0 HE21 GLN A 68 6.155 -14.827 -13.945 1.00 1.00 H new ATOM 0 HE22 GLN A 68 5.746 -16.287 -14.852 1.00 1.00 H new ATOM 918 N HIS A 69 2.631 -14.572 -8.913 1.00 1.00 N ATOM 919 CA HIS A 69 1.940 -14.103 -7.719 1.00 1.00 C ATOM 920 C HIS A 69 2.800 -14.302 -6.469 1.00 1.00 C ATOM 921 O HIS A 69 2.310 -14.192 -5.345 1.00 1.00 O ATOM 922 CB HIS A 69 0.590 -14.815 -7.566 1.00 1.00 C ATOM 923 CG HIS A 69 0.689 -16.232 -7.084 1.00 1.00 C ATOM 924 ND1 HIS A 69 0.765 -16.570 -5.749 1.00 1.00 N ATOM 925 CD2 HIS A 69 0.710 -17.402 -7.767 1.00 1.00 C ATOM 926 CE1 HIS A 69 0.827 -17.885 -5.632 1.00 1.00 C ATOM 927 NE2 HIS A 69 0.796 -18.412 -6.842 1.00 1.00 N ATOM 0 H HIS A 69 2.814 -15.575 -8.929 1.00 1.00 H new ATOM 0 HA HIS A 69 1.758 -13.034 -7.832 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -0.029 -14.249 -6.869 1.00 1.00 H new ATOM 0 HB3 HIS A 69 0.077 -14.806 -8.528 1.00 1.00 H new ATOM 0 HD1 HIS A 69 0.772 -15.908 -4.973 1.00 1.00 H new ATOM 0 HD2 HIS A 69 0.667 -17.518 -8.840 1.00 1.00 H new ATOM 0 HE1 HIS A 69 0.892 -18.435 -4.705 1.00 1.00 H new ATOM 936 N ILE A 70 4.086 -14.587 -6.672 1.00 1.00 N ATOM 937 CA ILE A 70 5.009 -14.790 -5.561 1.00 1.00 C ATOM 938 C ILE A 70 6.051 -13.680 -5.511 1.00 1.00 C ATOM 939 O ILE A 70 6.616 -13.295 -6.535 1.00 1.00 O ATOM 940 CB ILE A 70 5.735 -16.145 -5.659 1.00 1.00 C ATOM 941 CG1 ILE A 70 4.724 -17.290 -5.679 1.00 1.00 C ATOM 942 CG2 ILE A 70 6.711 -16.316 -4.502 1.00 1.00 C ATOM 943 CD1 ILE A 70 3.951 -17.441 -4.388 1.00 1.00 C ATOM 0 H ILE A 70 4.510 -14.682 -7.595 1.00 1.00 H new ATOM 0 HA ILE A 70 4.409 -14.776 -4.651 1.00 1.00 H new ATOM 0 HB ILE A 70 6.301 -16.166 -6.590 1.00 1.00 H new ATOM 0 HG12 ILE A 70 4.021 -17.128 -6.496 1.00 1.00 H new ATOM 0 HG13 ILE A 70 5.248 -18.222 -5.889 1.00 1.00 H new ATOM 0 HG21 ILE A 70 7.214 -17.279 -4.589 1.00 1.00 H new ATOM 0 HG22 ILE A 70 7.451 -15.517 -4.529 1.00 1.00 H new ATOM 0 HG23 ILE A 70 6.167 -16.275 -3.558 1.00 1.00 H new ATOM 0 HD11 ILE A 70 3.253 -18.273 -4.477 1.00 1.00 H new ATOM 0 HD12 ILE A 70 4.644 -17.635 -3.569 1.00 1.00 H new ATOM 0 HD13 ILE A 70 3.398 -16.524 -4.186 1.00 1.00 H new ATOM 955 N VAL A 71 6.303 -13.177 -4.311 1.00 1.00 N ATOM 956 CA VAL A 71 7.283 -12.115 -4.119 1.00 1.00 C ATOM 957 C VAL A 71 8.297 -12.489 -3.043 1.00 1.00 C ATOM 958 O VAL A 71 8.015 -12.378 -1.850 1.00 1.00 O ATOM 959 CB VAL A 71 6.608 -10.785 -3.735 1.00 1.00 C ATOM 960 CG1 VAL A 71 7.607 -9.639 -3.811 1.00 1.00 C ATOM 961 CG2 VAL A 71 5.407 -10.515 -4.630 1.00 1.00 C ATOM 0 H VAL A 71 5.843 -13.487 -3.455 1.00 1.00 H new ATOM 0 HA VAL A 71 7.798 -11.988 -5.071 1.00 1.00 H new ATOM 0 HB VAL A 71 6.254 -10.862 -2.707 1.00 1.00 H new ATOM 0 HG11 VAL A 71 7.113 -8.707 -3.537 1.00 1.00 H new ATOM 0 HG12 VAL A 71 8.431 -9.829 -3.124 1.00 1.00 H new ATOM 0 HG13 VAL A 71 7.993 -9.559 -4.827 1.00 1.00 H new ATOM 0 HG21 VAL A 71 4.944 -9.571 -4.343 1.00 1.00 H new ATOM 0 HG22 VAL A 71 5.733 -10.458 -5.669 1.00 1.00 H new ATOM 0 HG23 VAL A 71 4.683 -11.322 -4.521 1.00 1.00 H new ATOM 971 N HIS A 72 9.478 -12.930 -3.467 1.00 1.00 N ATOM 972 CA HIS A 72 10.525 -13.313 -2.527 1.00 1.00 C ATOM 973 C HIS A 72 11.821 -12.557 -2.810 1.00 1.00 C ATOM 974 O HIS A 72 12.596 -12.931 -3.690 1.00 1.00 O ATOM 975 CB HIS A 72 10.767 -14.824 -2.585 1.00 1.00 C ATOM 976 CG HIS A 72 11.356 -15.295 -3.879 1.00 1.00 C ATOM 977 ND1 HIS A 72 10.703 -15.184 -5.089 1.00 1.00 N ATOM 978 CD2 HIS A 72 12.548 -15.877 -4.150 1.00 1.00 C ATOM 979 CE1 HIS A 72 11.468 -15.678 -6.047 1.00 1.00 C ATOM 980 NE2 HIS A 72 12.592 -16.104 -5.503 1.00 1.00 N ATOM 0 H HIS A 72 9.732 -13.030 -4.450 1.00 1.00 H new ATOM 0 HA HIS A 72 10.191 -13.048 -1.524 1.00 1.00 H new ATOM 0 HB2 HIS A 72 11.433 -15.107 -1.770 1.00 1.00 H new ATOM 0 HB3 HIS A 72 9.822 -15.340 -2.418 1.00 1.00 H new ATOM 0 HD2 HIS A 72 13.320 -16.118 -3.435 1.00 1.00 H new ATOM 0 HE1 HIS A 72 11.216 -15.725 -7.096 1.00 1.00 H new ATOM 0 HE2 HIS A 72 13.368 -16.533 -6.007 1.00 1.00 H new ATOM 989 N CYS A 73 12.050 -11.494 -2.048 1.00 1.00 N ATOM 990 CA CYS A 73 13.250 -10.683 -2.200 1.00 1.00 C ATOM 991 C CYS A 73 13.914 -10.455 -0.845 1.00 1.00 C ATOM 992 O CYS A 73 13.450 -9.639 -0.049 1.00 1.00 O ATOM 993 CB CYS A 73 12.907 -9.344 -2.855 1.00 1.00 C ATOM 994 SG CYS A 73 13.545 -9.167 -4.538 1.00 1.00 S ATOM 0 H CYS A 73 11.417 -11.173 -1.316 1.00 1.00 H new ATOM 0 HA CYS A 73 13.949 -11.217 -2.843 1.00 1.00 H new ATOM 0 HB2 CYS A 73 11.823 -9.227 -2.873 1.00 1.00 H new ATOM 0 HB3 CYS A 73 13.305 -8.537 -2.239 1.00 1.00 H new ATOM 0 HG CYS A 73 14.245 -8.075 -4.624 1.00 1.00 H new ATOM 1000 N SER A 74 14.992 -11.185 -0.580 1.00 1.00 N ATOM 1001 CA SER A 74 15.697 -11.057 0.690 1.00 1.00 C ATOM 1002 C SER A 74 16.224 -9.652 0.889 1.00 1.00 C ATOM 1003 O SER A 74 16.012 -9.055 1.946 1.00 1.00 O ATOM 1004 CB SER A 74 16.839 -12.070 0.781 1.00 1.00 C ATOM 1005 OG SER A 74 16.356 -13.396 0.651 1.00 1.00 O ATOM 0 H SER A 74 15.395 -11.867 -1.223 1.00 1.00 H new ATOM 0 HA SER A 74 14.982 -11.265 1.486 1.00 1.00 H new ATOM 0 HB2 SER A 74 17.571 -11.868 -0.001 1.00 1.00 H new ATOM 0 HB3 SER A 74 17.353 -11.959 1.736 1.00 1.00 H new ATOM 0 HG SER A 74 17.106 -14.025 0.711 1.00 1.00 H new ATOM 1011 N ASN A 75 16.882 -9.101 -0.119 1.00 1.00 N ATOM 1012 CA ASN A 75 17.378 -7.748 0.009 1.00 1.00 C ATOM 1013 C ASN A 75 16.418 -6.792 -0.674 1.00 1.00 C ATOM 1014 O ASN A 75 16.520 -6.532 -1.873 1.00 1.00 O ATOM 1015 CB ASN A 75 18.773 -7.625 -0.607 1.00 1.00 C ATOM 1016 CG ASN A 75 19.876 -7.851 0.409 1.00 1.00 C ATOM 1017 OD1 ASN A 75 20.876 -7.134 0.427 1.00 1.00 O ATOM 1018 ND2 ASN A 75 19.698 -8.853 1.263 1.00 1.00 N ATOM 0 H ASN A 75 17.079 -9.558 -1.010 1.00 1.00 H new ATOM 0 HA ASN A 75 17.450 -7.495 1.067 1.00 1.00 H new ATOM 0 HB2 ASN A 75 18.875 -8.348 -1.416 1.00 1.00 H new ATOM 0 HB3 ASN A 75 18.886 -6.635 -1.048 1.00 1.00 H new ATOM 0 HD21 ASN A 75 20.406 -9.053 1.969 1.00 1.00 H new ATOM 0 HD22 ASN A 75 18.853 -9.422 1.212 1.00 1.00 H new ATOM 1025 N ASP A 76 15.488 -6.267 0.109 1.00 1.00 N ATOM 1026 CA ASP A 76 14.500 -5.326 -0.403 1.00 1.00 C ATOM 1027 C ASP A 76 13.850 -4.537 0.731 1.00 1.00 C ATOM 1028 O ASP A 76 13.495 -5.106 1.763 1.00 1.00 O ATOM 1029 CB ASP A 76 13.429 -6.064 -1.206 1.00 1.00 C ATOM 1030 CG ASP A 76 12.578 -5.123 -2.035 1.00 1.00 C ATOM 1031 OD1 ASP A 76 12.979 -4.807 -3.175 1.00 1.00 O ATOM 1032 OD2 ASP A 76 11.510 -4.702 -1.544 1.00 1.00 O ATOM 0 H ASP A 76 15.396 -6.476 1.103 1.00 1.00 H new ATOM 0 HA ASP A 76 15.016 -4.623 -1.057 1.00 1.00 H new ATOM 0 HB2 ASP A 76 13.907 -6.791 -1.863 1.00 1.00 H new ATOM 0 HB3 ASP A 76 12.789 -6.623 -0.524 1.00 1.00 H new ATOM 1037 N PRO A 77 13.676 -3.215 0.557 1.00 1.00 N ATOM 1038 CA PRO A 77 13.056 -2.376 1.578 1.00 1.00 C ATOM 1039 C PRO A 77 11.679 -2.896 1.981 1.00 1.00 C ATOM 1040 O PRO A 77 11.219 -2.667 3.099 1.00 1.00 O ATOM 1041 CB PRO A 77 12.931 -1.002 0.914 1.00 1.00 C ATOM 1042 CG PRO A 77 13.862 -1.016 -0.247 1.00 1.00 C ATOM 1043 CD PRO A 77 14.062 -2.451 -0.640 1.00 1.00 C ATOM 0 HA PRO A 77 13.646 -2.357 2.494 1.00 1.00 H new ATOM 0 HB2 PRO A 77 11.907 -0.818 0.590 1.00 1.00 H new ATOM 0 HB3 PRO A 77 13.192 -0.207 1.613 1.00 1.00 H new ATOM 0 HG2 PRO A 77 13.449 -0.444 -1.078 1.00 1.00 H new ATOM 0 HG3 PRO A 77 14.813 -0.554 0.017 1.00 1.00 H new ATOM 0 HD2 PRO A 77 13.445 -2.718 -1.498 1.00 1.00 H new ATOM 0 HD3 PRO A 77 15.097 -2.646 -0.919 1.00 1.00 H new ATOM 1051 N LEU A 78 11.028 -3.601 1.060 1.00 1.00 N ATOM 1052 CA LEU A 78 9.706 -4.159 1.315 1.00 1.00 C ATOM 1053 C LEU A 78 9.790 -5.315 2.305 1.00 1.00 C ATOM 1054 O LEU A 78 9.068 -5.348 3.301 1.00 1.00 O ATOM 1055 CB LEU A 78 9.072 -4.640 0.009 1.00 1.00 C ATOM 1056 CG LEU A 78 7.552 -4.492 -0.068 1.00 1.00 C ATOM 1057 CD1 LEU A 78 7.172 -3.091 -0.522 1.00 1.00 C ATOM 1058 CD2 LEU A 78 6.964 -5.536 -1.006 1.00 1.00 C ATOM 0 H LEU A 78 11.396 -3.799 0.130 1.00 1.00 H new ATOM 0 HA LEU A 78 9.084 -3.375 1.746 1.00 1.00 H new ATOM 0 HB2 LEU A 78 9.518 -4.087 -0.818 1.00 1.00 H new ATOM 0 HB3 LEU A 78 9.327 -5.690 -0.135 1.00 1.00 H new ATOM 0 HG LEU A 78 7.140 -4.651 0.928 1.00 1.00 H new ATOM 0 HD11 LEU A 78 6.086 -3.006 -0.570 1.00 1.00 H new ATOM 0 HD12 LEU A 78 7.562 -2.361 0.187 1.00 1.00 H new ATOM 0 HD13 LEU A 78 7.595 -2.901 -1.508 1.00 1.00 H new ATOM 0 HD21 LEU A 78 5.881 -5.417 -1.050 1.00 1.00 H new ATOM 0 HD22 LEU A 78 7.384 -5.407 -2.004 1.00 1.00 H new ATOM 0 HD23 LEU A 78 7.205 -6.533 -0.638 1.00 1.00 H new ATOM 1070 N GLY A 79 10.680 -6.262 2.024 1.00 1.00 N ATOM 1071 CA GLY A 79 10.847 -7.408 2.897 1.00 1.00 C ATOM 1072 C GLY A 79 11.209 -7.009 4.314 1.00 1.00 C ATOM 1073 O GLY A 79 10.691 -7.575 5.277 1.00 1.00 O ATOM 0 H GLY A 79 11.289 -6.255 1.206 1.00 1.00 H new ATOM 0 HA2 GLY A 79 9.924 -7.988 2.911 1.00 1.00 H new ATOM 0 HA3 GLY A 79 11.625 -8.057 2.495 1.00 1.00 H new ATOM 1077 N GLU A 80 12.099 -6.029 4.444 1.00 1.00 N ATOM 1078 CA GLU A 80 12.524 -5.557 5.756 1.00 1.00 C ATOM 1079 C GLU A 80 11.370 -4.868 6.482 1.00 1.00 C ATOM 1080 O GLU A 80 11.340 -4.816 7.712 1.00 1.00 O ATOM 1081 CB GLU A 80 13.725 -4.610 5.622 1.00 1.00 C ATOM 1082 CG GLU A 80 13.356 -3.169 5.304 1.00 1.00 C ATOM 1083 CD GLU A 80 13.477 -2.256 6.508 1.00 1.00 C ATOM 1084 OE1 GLU A 80 12.636 -2.366 7.424 1.00 1.00 O ATOM 1085 OE2 GLU A 80 14.413 -1.429 6.533 1.00 1.00 O ATOM 0 H GLU A 80 12.538 -5.548 3.659 1.00 1.00 H new ATOM 0 HA GLU A 80 12.831 -6.419 6.349 1.00 1.00 H new ATOM 0 HB2 GLU A 80 14.294 -4.630 6.552 1.00 1.00 H new ATOM 0 HB3 GLU A 80 14.383 -4.985 4.838 1.00 1.00 H new ATOM 0 HG2 GLU A 80 14.002 -2.800 4.507 1.00 1.00 H new ATOM 0 HG3 GLU A 80 12.334 -3.134 4.928 1.00 1.00 H new ATOM 1092 N LEU A 81 10.419 -4.344 5.713 1.00 1.00 N ATOM 1093 CA LEU A 81 9.262 -3.665 6.283 1.00 1.00 C ATOM 1094 C LEU A 81 8.281 -4.672 6.870 1.00 1.00 C ATOM 1095 O LEU A 81 8.003 -4.661 8.069 1.00 1.00 O ATOM 1096 CB LEU A 81 8.559 -2.828 5.213 1.00 1.00 C ATOM 1097 CG LEU A 81 7.275 -2.133 5.672 1.00 1.00 C ATOM 1098 CD1 LEU A 81 7.538 -1.288 6.909 1.00 1.00 C ATOM 1099 CD2 LEU A 81 6.701 -1.280 4.552 1.00 1.00 C ATOM 0 H LEU A 81 10.428 -4.377 4.694 1.00 1.00 H new ATOM 0 HA LEU A 81 9.612 -3.010 7.080 1.00 1.00 H new ATOM 0 HB2 LEU A 81 9.254 -2.070 4.851 1.00 1.00 H new ATOM 0 HB3 LEU A 81 8.322 -3.473 4.367 1.00 1.00 H new ATOM 0 HG LEU A 81 6.543 -2.898 5.930 1.00 1.00 H new ATOM 0 HD11 LEU A 81 6.614 -0.802 7.221 1.00 1.00 H new ATOM 0 HD12 LEU A 81 7.902 -1.926 7.715 1.00 1.00 H new ATOM 0 HD13 LEU A 81 8.287 -0.530 6.679 1.00 1.00 H new ATOM 0 HD21 LEU A 81 5.788 -0.793 4.896 1.00 1.00 H new ATOM 0 HD22 LEU A 81 7.429 -0.522 4.262 1.00 1.00 H new ATOM 0 HD23 LEU A 81 6.474 -1.912 3.693 1.00 1.00 H new ATOM 1111 N PHE A 82 7.758 -5.540 6.012 1.00 1.00 N ATOM 1112 CA PHE A 82 6.804 -6.558 6.438 1.00 1.00 C ATOM 1113 C PHE A 82 7.430 -7.503 7.460 1.00 1.00 C ATOM 1114 O PHE A 82 6.731 -8.087 8.288 1.00 1.00 O ATOM 1115 CB PHE A 82 6.302 -7.355 5.231 1.00 1.00 C ATOM 1116 CG PHE A 82 5.700 -6.503 4.149 1.00 1.00 C ATOM 1117 CD1 PHE A 82 4.974 -5.365 4.464 1.00 1.00 C ATOM 1118 CD2 PHE A 82 5.860 -6.841 2.815 1.00 1.00 C ATOM 1119 CE1 PHE A 82 4.420 -4.581 3.471 1.00 1.00 C ATOM 1120 CE2 PHE A 82 5.307 -6.061 1.817 1.00 1.00 C ATOM 1121 CZ PHE A 82 4.586 -4.929 2.145 1.00 1.00 C ATOM 0 H PHE A 82 7.978 -5.560 5.016 1.00 1.00 H new ATOM 0 HA PHE A 82 5.961 -6.052 6.908 1.00 1.00 H new ATOM 0 HB2 PHE A 82 7.132 -7.924 4.813 1.00 1.00 H new ATOM 0 HB3 PHE A 82 5.558 -8.077 5.568 1.00 1.00 H new ATOM 0 HD1 PHE A 82 4.840 -5.088 5.499 1.00 1.00 H new ATOM 0 HD2 PHE A 82 6.423 -7.724 2.552 1.00 1.00 H new ATOM 0 HE1 PHE A 82 3.857 -3.697 3.731 1.00 1.00 H new ATOM 0 HE2 PHE A 82 5.438 -6.336 0.781 1.00 1.00 H new ATOM 0 HZ PHE A 82 4.153 -4.318 1.367 1.00 1.00 H new ATOM 1131 N GLY A 83 8.750 -7.650 7.397 1.00 1.00 N ATOM 1132 CA GLY A 83 9.442 -8.526 8.324 1.00 1.00 C ATOM 1133 C GLY A 83 9.569 -9.943 7.799 1.00 1.00 C ATOM 1134 O GLY A 83 9.636 -10.896 8.575 1.00 1.00 O ATOM 0 H GLY A 83 9.352 -7.179 6.721 1.00 1.00 H new ATOM 0 HA2 GLY A 83 10.436 -8.126 8.524 1.00 1.00 H new ATOM 0 HA3 GLY A 83 8.907 -8.540 9.274 1.00 1.00 H new ATOM 1138 N VAL A 84 9.604 -10.080 6.477 1.00 1.00 N ATOM 1139 CA VAL A 84 9.724 -11.390 5.848 1.00 1.00 C ATOM 1140 C VAL A 84 10.524 -11.304 4.553 1.00 1.00 C ATOM 1141 O VAL A 84 10.800 -10.214 4.054 1.00 1.00 O ATOM 1142 CB VAL A 84 8.342 -11.997 5.544 1.00 1.00 C ATOM 1143 CG1 VAL A 84 7.597 -12.304 6.834 1.00 1.00 C ATOM 1144 CG2 VAL A 84 7.530 -11.063 4.660 1.00 1.00 C ATOM 0 H VAL A 84 9.551 -9.300 5.821 1.00 1.00 H new ATOM 0 HA VAL A 84 10.247 -12.034 6.555 1.00 1.00 H new ATOM 0 HB VAL A 84 8.488 -12.933 5.005 1.00 1.00 H new ATOM 0 HG11 VAL A 84 6.623 -12.732 6.598 1.00 1.00 H new ATOM 0 HG12 VAL A 84 8.173 -13.016 7.426 1.00 1.00 H new ATOM 0 HG13 VAL A 84 7.461 -11.384 7.403 1.00 1.00 H new ATOM 0 HG21 VAL A 84 6.557 -11.509 4.456 1.00 1.00 H new ATOM 0 HG22 VAL A 84 7.392 -10.109 5.169 1.00 1.00 H new ATOM 0 HG23 VAL A 84 8.058 -10.900 3.721 1.00 1.00 H new ATOM 1154 N GLN A 85 10.894 -12.461 4.013 1.00 1.00 N ATOM 1155 CA GLN A 85 11.663 -12.516 2.776 1.00 1.00 C ATOM 1156 C GLN A 85 10.764 -12.852 1.590 1.00 1.00 C ATOM 1157 O GLN A 85 11.026 -12.433 0.462 1.00 1.00 O ATOM 1158 CB GLN A 85 12.783 -13.551 2.891 1.00 1.00 C ATOM 1159 CG GLN A 85 13.658 -13.365 4.120 1.00 1.00 C ATOM 1160 CD GLN A 85 14.235 -11.967 4.219 1.00 1.00 C ATOM 1161 OE1 GLN A 85 13.499 -10.982 4.281 1.00 1.00 O ATOM 1162 NE2 GLN A 85 15.560 -11.873 4.233 1.00 1.00 N ATOM 0 H GLN A 85 10.673 -13.373 4.413 1.00 1.00 H new ATOM 0 HA GLN A 85 12.103 -11.533 2.608 1.00 1.00 H new ATOM 0 HB2 GLN A 85 12.344 -14.548 2.915 1.00 1.00 H new ATOM 0 HB3 GLN A 85 13.408 -13.499 1.999 1.00 1.00 H new ATOM 0 HG2 GLN A 85 13.072 -13.576 5.014 1.00 1.00 H new ATOM 0 HG3 GLN A 85 14.472 -14.089 4.095 1.00 1.00 H new ATOM 0 HE21 GLN A 85 16.132 -12.716 4.180 1.00 1.00 H new ATOM 0 HE22 GLN A 85 16.006 -10.958 4.297 1.00 1.00 H new ATOM 1171 N GLU A 86 9.704 -13.610 1.851 1.00 1.00 N ATOM 1172 CA GLU A 86 8.768 -14.001 0.803 1.00 1.00 C ATOM 1173 C GLU A 86 7.327 -13.797 1.255 1.00 1.00 C ATOM 1174 O GLU A 86 7.020 -13.883 2.444 1.00 1.00 O ATOM 1175 CB GLU A 86 8.989 -15.464 0.413 1.00 1.00 C ATOM 1176 CG GLU A 86 8.956 -16.420 1.594 1.00 1.00 C ATOM 1177 CD GLU A 86 8.296 -17.742 1.254 1.00 1.00 C ATOM 1178 OE1 GLU A 86 7.175 -17.722 0.703 1.00 1.00 O ATOM 1179 OE2 GLU A 86 8.899 -18.798 1.539 1.00 1.00 O ATOM 0 H GLU A 86 9.472 -13.966 2.778 1.00 1.00 H new ATOM 0 HA GLU A 86 8.950 -13.368 -0.065 1.00 1.00 H new ATOM 0 HB2 GLU A 86 8.224 -15.760 -0.305 1.00 1.00 H new ATOM 0 HB3 GLU A 86 9.951 -15.556 -0.091 1.00 1.00 H new ATOM 0 HG2 GLU A 86 9.974 -16.604 1.937 1.00 1.00 H new ATOM 0 HG3 GLU A 86 8.421 -15.953 2.421 1.00 1.00 H new ATOM 1186 N PHE A 87 6.445 -13.527 0.298 1.00 1.00 N ATOM 1187 CA PHE A 87 5.035 -13.312 0.598 1.00 1.00 C ATOM 1188 C PHE A 87 4.182 -13.471 -0.657 1.00 1.00 C ATOM 1189 O PHE A 87 4.374 -12.760 -1.644 1.00 1.00 O ATOM 1190 CB PHE A 87 4.823 -11.922 1.205 1.00 1.00 C ATOM 1191 CG PHE A 87 5.076 -10.796 0.243 1.00 1.00 C ATOM 1192 CD1 PHE A 87 6.347 -10.264 0.097 1.00 1.00 C ATOM 1193 CD2 PHE A 87 4.042 -10.268 -0.513 1.00 1.00 C ATOM 1194 CE1 PHE A 87 6.582 -9.227 -0.786 1.00 1.00 C ATOM 1195 CE2 PHE A 87 4.270 -9.231 -1.398 1.00 1.00 C ATOM 1196 CZ PHE A 87 5.542 -8.710 -1.534 1.00 1.00 C ATOM 0 H PHE A 87 6.682 -13.452 -0.691 1.00 1.00 H new ATOM 0 HA PHE A 87 4.725 -14.065 1.323 1.00 1.00 H new ATOM 0 HB2 PHE A 87 3.800 -11.849 1.574 1.00 1.00 H new ATOM 0 HB3 PHE A 87 5.482 -11.807 2.066 1.00 1.00 H new ATOM 0 HD1 PHE A 87 7.163 -10.664 0.680 1.00 1.00 H new ATOM 0 HD2 PHE A 87 3.046 -10.672 -0.410 1.00 1.00 H new ATOM 0 HE1 PHE A 87 7.577 -8.821 -0.891 1.00 1.00 H new ATOM 0 HE2 PHE A 87 3.455 -8.829 -1.982 1.00 1.00 H new ATOM 0 HZ PHE A 87 5.723 -7.899 -2.224 1.00 1.00 H new ATOM 1206 N SER A 88 3.240 -14.406 -0.611 1.00 1.00 N ATOM 1207 CA SER A 88 2.356 -14.655 -1.743 1.00 1.00 C ATOM 1208 C SER A 88 1.180 -13.685 -1.730 1.00 1.00 C ATOM 1209 O SER A 88 0.388 -13.668 -0.788 1.00 1.00 O ATOM 1210 CB SER A 88 1.845 -16.096 -1.712 1.00 1.00 C ATOM 1211 OG SER A 88 1.374 -16.498 -2.987 1.00 1.00 O ATOM 0 H SER A 88 3.069 -15.004 0.198 1.00 1.00 H new ATOM 0 HA SER A 88 2.924 -14.501 -2.660 1.00 1.00 H new ATOM 0 HB2 SER A 88 2.645 -16.762 -1.390 1.00 1.00 H new ATOM 0 HB3 SER A 88 1.042 -16.185 -0.980 1.00 1.00 H new ATOM 0 HG SER A 88 1.054 -17.423 -2.941 1.00 1.00 H new ATOM 1217 N VAL A 89 1.072 -12.876 -2.779 1.00 1.00 N ATOM 1218 CA VAL A 89 -0.008 -11.902 -2.881 1.00 1.00 C ATOM 1219 C VAL A 89 -1.376 -12.581 -2.913 1.00 1.00 C ATOM 1220 O VAL A 89 -2.400 -11.936 -2.693 1.00 1.00 O ATOM 1221 CB VAL A 89 0.139 -11.009 -4.128 1.00 1.00 C ATOM 1222 CG1 VAL A 89 1.158 -9.910 -3.876 1.00 1.00 C ATOM 1223 CG2 VAL A 89 0.526 -11.833 -5.346 1.00 1.00 C ATOM 0 H VAL A 89 1.718 -12.876 -3.569 1.00 1.00 H new ATOM 0 HA VAL A 89 0.062 -11.278 -1.990 1.00 1.00 H new ATOM 0 HB VAL A 89 -0.826 -10.545 -4.331 1.00 1.00 H new ATOM 0 HG11 VAL A 89 1.250 -9.288 -4.766 1.00 1.00 H new ATOM 0 HG12 VAL A 89 0.831 -9.296 -3.037 1.00 1.00 H new ATOM 0 HG13 VAL A 89 2.125 -10.357 -3.644 1.00 1.00 H new ATOM 0 HG21 VAL A 89 0.623 -11.178 -6.212 1.00 1.00 H new ATOM 0 HG22 VAL A 89 1.477 -12.333 -5.160 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -0.244 -12.579 -5.540 1.00 1.00 H new ATOM 1233 N LYS A 90 -1.390 -13.885 -3.184 1.00 1.00 N ATOM 1234 CA LYS A 90 -2.637 -14.642 -3.238 1.00 1.00 C ATOM 1235 C LYS A 90 -3.475 -14.402 -1.984 1.00 1.00 C ATOM 1236 O LYS A 90 -4.704 -14.462 -2.025 1.00 1.00 O ATOM 1237 CB LYS A 90 -2.346 -16.136 -3.393 1.00 1.00 C ATOM 1238 CG LYS A 90 -3.597 -16.992 -3.496 1.00 1.00 C ATOM 1239 CD LYS A 90 -3.358 -18.395 -2.960 1.00 1.00 C ATOM 1240 CE LYS A 90 -4.636 -19.217 -2.962 1.00 1.00 C ATOM 1241 NZ LYS A 90 -4.519 -20.429 -2.105 1.00 1.00 N ATOM 0 H LYS A 90 -0.553 -14.438 -3.369 1.00 1.00 H new ATOM 0 HA LYS A 90 -3.204 -14.298 -4.103 1.00 1.00 H new ATOM 0 HB2 LYS A 90 -1.737 -16.288 -4.284 1.00 1.00 H new ATOM 0 HB3 LYS A 90 -1.755 -16.473 -2.542 1.00 1.00 H new ATOM 0 HG2 LYS A 90 -4.408 -16.522 -2.939 1.00 1.00 H new ATOM 0 HG3 LYS A 90 -3.916 -17.048 -4.537 1.00 1.00 H new ATOM 0 HD2 LYS A 90 -2.602 -18.894 -3.567 1.00 1.00 H new ATOM 0 HD3 LYS A 90 -2.964 -18.336 -1.946 1.00 1.00 H new ATOM 0 HE2 LYS A 90 -5.464 -18.602 -2.609 1.00 1.00 H new ATOM 0 HE3 LYS A 90 -4.874 -19.516 -3.983 1.00 1.00 H new ATOM 0 HZ1 LYS A 90 -5.412 -20.962 -2.134 1.00 1.00 H new ATOM 0 HZ2 LYS A 90 -3.746 -21.029 -2.456 1.00 1.00 H new ATOM 0 HZ3 LYS A 90 -4.318 -20.143 -1.125 1.00 1.00 H new ATOM 1255 N GLU A 91 -2.800 -14.127 -0.872 1.00 1.00 N ATOM 1256 CA GLU A 91 -3.479 -13.873 0.392 1.00 1.00 C ATOM 1257 C GLU A 91 -3.611 -12.374 0.641 1.00 1.00 C ATOM 1258 O GLU A 91 -2.805 -11.780 1.357 1.00 1.00 O ATOM 1259 CB GLU A 91 -2.719 -14.530 1.546 1.00 1.00 C ATOM 1260 CG GLU A 91 -2.894 -16.038 1.610 1.00 1.00 C ATOM 1261 CD GLU A 91 -3.847 -16.469 2.708 1.00 1.00 C ATOM 1262 OE1 GLU A 91 -4.840 -15.750 2.948 1.00 1.00 O ATOM 1263 OE2 GLU A 91 -3.601 -17.526 3.327 1.00 1.00 O ATOM 0 H GLU A 91 -1.783 -14.075 -0.822 1.00 1.00 H new ATOM 0 HA GLU A 91 -4.478 -14.305 0.335 1.00 1.00 H new ATOM 0 HB2 GLU A 91 -1.658 -14.300 1.449 1.00 1.00 H new ATOM 0 HB3 GLU A 91 -3.055 -14.093 2.486 1.00 1.00 H new ATOM 0 HG2 GLU A 91 -3.265 -16.398 0.650 1.00 1.00 H new ATOM 0 HG3 GLU A 91 -1.923 -16.506 1.772 1.00 1.00 H new ATOM 1270 N HIS A 92 -4.629 -11.768 0.038 1.00 1.00 N ATOM 1271 CA HIS A 92 -4.868 -10.336 0.186 1.00 1.00 C ATOM 1272 C HIS A 92 -4.976 -9.942 1.656 1.00 1.00 C ATOM 1273 O HIS A 92 -4.469 -8.899 2.068 1.00 1.00 O ATOM 1274 CB HIS A 92 -6.144 -9.936 -0.555 1.00 1.00 C ATOM 1275 CG HIS A 92 -5.981 -9.888 -2.043 1.00 1.00 C ATOM 1276 ND1 HIS A 92 -7.047 -9.827 -2.916 1.00 1.00 N ATOM 1277 CD2 HIS A 92 -4.867 -9.892 -2.813 1.00 1.00 C ATOM 1278 CE1 HIS A 92 -6.596 -9.797 -4.157 1.00 1.00 C ATOM 1279 NE2 HIS A 92 -5.277 -9.835 -4.122 1.00 1.00 N ATOM 0 H HIS A 92 -5.303 -12.247 -0.559 1.00 1.00 H new ATOM 0 HA HIS A 92 -4.018 -9.807 -0.246 1.00 1.00 H new ATOM 0 HB2 HIS A 92 -6.936 -10.643 -0.307 1.00 1.00 H new ATOM 0 HB3 HIS A 92 -6.468 -8.957 -0.201 1.00 1.00 H new ATOM 0 HD2 HIS A 92 -3.846 -9.932 -2.463 1.00 1.00 H new ATOM 0 HE1 HIS A 92 -7.203 -9.749 -5.049 1.00 1.00 H new ATOM 0 HE2 HIS A 92 -4.662 -9.824 -4.936 1.00 1.00 H new ATOM 1288 N ARG A 93 -5.641 -10.782 2.443 1.00 1.00 N ATOM 1289 CA ARG A 93 -5.816 -10.520 3.867 1.00 1.00 C ATOM 1290 C ARG A 93 -4.467 -10.395 4.570 1.00 1.00 C ATOM 1291 O ARG A 93 -4.319 -9.622 5.517 1.00 1.00 O ATOM 1292 CB ARG A 93 -6.643 -11.635 4.513 1.00 1.00 C ATOM 1293 CG ARG A 93 -8.040 -11.196 4.922 1.00 1.00 C ATOM 1294 CD ARG A 93 -8.086 -10.778 6.383 1.00 1.00 C ATOM 1295 NE ARG A 93 -9.153 -9.814 6.642 1.00 1.00 N ATOM 1296 CZ ARG A 93 -10.433 -10.146 6.789 1.00 1.00 C ATOM 1297 NH1 ARG A 93 -10.811 -11.416 6.705 1.00 1.00 N ATOM 1298 NH2 ARG A 93 -11.339 -9.206 7.021 1.00 1.00 N ATOM 0 H ARG A 93 -6.067 -11.650 2.119 1.00 1.00 H new ATOM 0 HA ARG A 93 -6.347 -9.574 3.975 1.00 1.00 H new ATOM 0 HB2 ARG A 93 -6.723 -12.468 3.815 1.00 1.00 H new ATOM 0 HB3 ARG A 93 -6.115 -12.005 5.392 1.00 1.00 H new ATOM 0 HG2 ARG A 93 -8.360 -10.364 4.294 1.00 1.00 H new ATOM 0 HG3 ARG A 93 -8.743 -12.012 4.753 1.00 1.00 H new ATOM 0 HD2 ARG A 93 -8.233 -11.659 7.008 1.00 1.00 H new ATOM 0 HD3 ARG A 93 -7.128 -10.343 6.666 1.00 1.00 H new ATOM 0 HE ARG A 93 -8.902 -8.828 6.714 1.00 1.00 H new ATOM 0 HH11 ARG A 93 -10.119 -12.143 6.527 1.00 1.00 H new ATOM 0 HH12 ARG A 93 -11.794 -11.664 6.819 1.00 1.00 H new ATOM 0 HH21 ARG A 93 -11.055 -8.229 7.087 1.00 1.00 H new ATOM 0 HH22 ARG A 93 -12.320 -9.460 7.134 1.00 1.00 H new ATOM 1312 N ARG A 94 -3.488 -11.161 4.100 1.00 1.00 N ATOM 1313 CA ARG A 94 -2.152 -11.138 4.685 1.00 1.00 C ATOM 1314 C ARG A 94 -1.446 -9.817 4.392 1.00 1.00 C ATOM 1315 O ARG A 94 -0.791 -9.247 5.264 1.00 1.00 O ATOM 1316 CB ARG A 94 -1.319 -12.303 4.149 1.00 1.00 C ATOM 1317 CG ARG A 94 -0.227 -12.760 5.103 1.00 1.00 C ATOM 1318 CD ARG A 94 0.935 -11.780 5.132 1.00 1.00 C ATOM 1319 NE ARG A 94 2.226 -12.463 5.174 1.00 1.00 N ATOM 1320 CZ ARG A 94 2.781 -13.065 4.125 1.00 1.00 C ATOM 1321 NH1 ARG A 94 2.163 -13.070 2.950 1.00 1.00 N ATOM 1322 NH2 ARG A 94 3.957 -13.664 4.250 1.00 1.00 N ATOM 0 H ARG A 94 -3.594 -11.805 3.316 1.00 1.00 H new ATOM 0 HA ARG A 94 -2.257 -11.239 5.765 1.00 1.00 H new ATOM 0 HB2 ARG A 94 -1.980 -13.144 3.937 1.00 1.00 H new ATOM 0 HB3 ARG A 94 -0.864 -12.009 3.203 1.00 1.00 H new ATOM 0 HG2 ARG A 94 -0.640 -12.866 6.106 1.00 1.00 H new ATOM 0 HG3 ARG A 94 0.133 -13.744 4.801 1.00 1.00 H new ATOM 0 HD2 ARG A 94 0.892 -11.140 4.251 1.00 1.00 H new ATOM 0 HD3 ARG A 94 0.840 -11.131 6.002 1.00 1.00 H new ATOM 0 HE ARG A 94 2.732 -12.479 6.060 1.00 1.00 H new ATOM 0 HH11 ARG A 94 1.258 -12.611 2.848 1.00 1.00 H new ATOM 0 HH12 ARG A 94 2.593 -13.533 2.149 1.00 1.00 H new ATOM 0 HH21 ARG A 94 4.436 -13.663 5.150 1.00 1.00 H new ATOM 0 HH22 ARG A 94 4.382 -14.125 3.446 1.00 1.00 H new ATOM 1336 N ILE A 95 -1.580 -9.338 3.160 1.00 1.00 N ATOM 1337 CA ILE A 95 -0.949 -8.087 2.757 1.00 1.00 C ATOM 1338 C ILE A 95 -1.632 -6.888 3.405 1.00 1.00 C ATOM 1339 O ILE A 95 -1.013 -6.149 4.170 1.00 1.00 O ATOM 1340 CB ILE A 95 -0.969 -7.914 1.228 1.00 1.00 C ATOM 1341 CG1 ILE A 95 -0.416 -9.171 0.554 1.00 1.00 C ATOM 1342 CG2 ILE A 95 -0.166 -6.684 0.823 1.00 1.00 C ATOM 1343 CD1 ILE A 95 -0.278 -9.042 -0.946 1.00 1.00 C ATOM 0 H ILE A 95 -2.119 -9.796 2.425 1.00 1.00 H new ATOM 0 HA ILE A 95 0.086 -8.134 3.095 1.00 1.00 H new ATOM 0 HB ILE A 95 -1.998 -7.769 0.900 1.00 1.00 H new ATOM 0 HG12 ILE A 95 0.559 -9.403 0.982 1.00 1.00 H new ATOM 0 HG13 ILE A 95 -1.071 -10.012 0.779 1.00 1.00 H new ATOM 0 HG21 ILE A 95 -0.189 -6.575 -0.261 1.00 1.00 H new ATOM 0 HG22 ILE A 95 -0.600 -5.798 1.286 1.00 1.00 H new ATOM 0 HG23 ILE A 95 0.866 -6.798 1.154 1.00 1.00 H new ATOM 0 HD11 ILE A 95 0.120 -9.970 -1.356 1.00 1.00 H new ATOM 0 HD12 ILE A 95 -1.255 -8.840 -1.385 1.00 1.00 H new ATOM 0 HD13 ILE A 95 0.401 -8.222 -1.180 1.00 1.00 H new ATOM 1355 N TYR A 96 -2.914 -6.701 3.098 1.00 1.00 N ATOM 1356 CA TYR A 96 -3.684 -5.590 3.655 1.00 1.00 C ATOM 1357 C TYR A 96 -3.456 -5.464 5.160 1.00 1.00 C ATOM 1358 O TYR A 96 -3.525 -4.369 5.720 1.00 1.00 O ATOM 1359 CB TYR A 96 -5.175 -5.783 3.369 1.00 1.00 C ATOM 1360 CG TYR A 96 -6.016 -4.567 3.687 1.00 1.00 C ATOM 1361 CD1 TYR A 96 -6.211 -3.567 2.742 1.00 1.00 C ATOM 1362 CD2 TYR A 96 -6.616 -4.419 4.932 1.00 1.00 C ATOM 1363 CE1 TYR A 96 -6.980 -2.454 3.029 1.00 1.00 C ATOM 1364 CE2 TYR A 96 -7.387 -3.310 5.226 1.00 1.00 C ATOM 1365 CZ TYR A 96 -7.565 -2.331 4.271 1.00 1.00 C ATOM 1366 OH TYR A 96 -8.331 -1.225 4.560 1.00 1.00 O ATOM 0 H TYR A 96 -3.442 -7.304 2.467 1.00 1.00 H new ATOM 0 HA TYR A 96 -3.343 -4.671 3.178 1.00 1.00 H new ATOM 0 HB2 TYR A 96 -5.304 -6.039 2.317 1.00 1.00 H new ATOM 0 HB3 TYR A 96 -5.541 -6.629 3.950 1.00 1.00 H new ATOM 0 HD1 TYR A 96 -5.755 -3.661 1.768 1.00 1.00 H new ATOM 0 HD2 TYR A 96 -6.477 -5.183 5.682 1.00 1.00 H new ATOM 0 HE1 TYR A 96 -7.121 -1.685 2.284 1.00 1.00 H new ATOM 0 HE2 TYR A 96 -7.847 -3.211 6.198 1.00 1.00 H new ATOM 0 HH TYR A 96 -8.671 -1.293 5.477 1.00 1.00 H new ATOM 1376 N ALA A 97 -3.177 -6.591 5.806 1.00 1.00 N ATOM 1377 CA ALA A 97 -2.934 -6.606 7.241 1.00 1.00 C ATOM 1378 C ALA A 97 -1.562 -6.028 7.575 1.00 1.00 C ATOM 1379 O ALA A 97 -1.459 -4.974 8.202 1.00 1.00 O ATOM 1380 CB ALA A 97 -3.055 -8.024 7.780 1.00 1.00 C ATOM 0 H ALA A 97 -3.114 -7.505 5.357 1.00 1.00 H new ATOM 0 HA ALA A 97 -3.688 -5.979 7.718 1.00 1.00 H new ATOM 0 HB1 ALA A 97 -2.871 -8.022 8.854 1.00 1.00 H new ATOM 0 HB2 ALA A 97 -4.058 -8.403 7.584 1.00 1.00 H new ATOM 0 HB3 ALA A 97 -2.323 -8.664 7.288 1.00 1.00 H new ATOM 1386 N MET A 98 -0.509 -6.728 7.156 1.00 1.00 N ATOM 1387 CA MET A 98 0.861 -6.290 7.417 1.00 1.00 C ATOM 1388 C MET A 98 1.066 -4.826 7.025 1.00 1.00 C ATOM 1389 O MET A 98 1.698 -4.063 7.756 1.00 1.00 O ATOM 1390 CB MET A 98 1.857 -7.192 6.676 1.00 1.00 C ATOM 1391 CG MET A 98 2.044 -6.847 5.207 1.00 1.00 C ATOM 1392 SD MET A 98 2.837 -8.179 4.285 1.00 1.00 S ATOM 1393 CE MET A 98 2.639 -7.602 2.602 1.00 1.00 C ATOM 0 H MET A 98 -0.579 -7.602 6.634 1.00 1.00 H new ATOM 0 HA MET A 98 1.041 -6.372 8.489 1.00 1.00 H new ATOM 0 HB2 MET A 98 2.824 -7.133 7.176 1.00 1.00 H new ATOM 0 HB3 MET A 98 1.520 -8.226 6.754 1.00 1.00 H new ATOM 0 HG2 MET A 98 1.074 -6.628 4.761 1.00 1.00 H new ATOM 0 HG3 MET A 98 2.645 -5.942 5.123 1.00 1.00 H new ATOM 0 HE1 MET A 98 3.576 -7.730 2.061 1.00 1.00 H new ATOM 0 HE2 MET A 98 1.855 -8.177 2.110 1.00 1.00 H new ATOM 0 HE3 MET A 98 2.365 -6.547 2.609 1.00 1.00 H new ATOM 1403 N ILE A 99 0.523 -4.435 5.877 1.00 1.00 N ATOM 1404 CA ILE A 99 0.647 -3.059 5.413 1.00 1.00 C ATOM 1405 C ILE A 99 -0.098 -2.112 6.348 1.00 1.00 C ATOM 1406 O ILE A 99 0.277 -0.950 6.501 1.00 1.00 O ATOM 1407 CB ILE A 99 0.101 -2.888 3.982 1.00 1.00 C ATOM 1408 CG1 ILE A 99 -1.343 -3.384 3.900 1.00 1.00 C ATOM 1409 CG2 ILE A 99 0.981 -3.628 2.985 1.00 1.00 C ATOM 1410 CD1 ILE A 99 -2.366 -2.269 3.898 1.00 1.00 C ATOM 0 H ILE A 99 -0.004 -5.047 5.254 1.00 1.00 H new ATOM 0 HA ILE A 99 1.710 -2.816 5.410 1.00 1.00 H new ATOM 0 HB ILE A 99 0.115 -1.828 3.729 1.00 1.00 H new ATOM 0 HG12 ILE A 99 -1.464 -3.978 2.994 1.00 1.00 H new ATOM 0 HG13 ILE A 99 -1.540 -4.045 4.744 1.00 1.00 H new ATOM 0 HG21 ILE A 99 0.581 -3.497 1.979 1.00 1.00 H new ATOM 0 HG22 ILE A 99 1.994 -3.229 3.028 1.00 1.00 H new ATOM 0 HG23 ILE A 99 0.999 -4.689 3.233 1.00 1.00 H new ATOM 0 HD11 ILE A 99 -3.368 -2.694 3.838 1.00 1.00 H new ATOM 0 HD12 ILE A 99 -2.273 -1.688 4.816 1.00 1.00 H new ATOM 0 HD13 ILE A 99 -2.195 -1.620 3.039 1.00 1.00 H new ATOM 1422 N SER A 100 -1.157 -2.622 6.974 1.00 1.00 N ATOM 1423 CA SER A 100 -1.955 -1.827 7.899 1.00 1.00 C ATOM 1424 C SER A 100 -1.201 -1.587 9.204 1.00 1.00 C ATOM 1425 O SER A 100 -1.240 -0.489 9.760 1.00 1.00 O ATOM 1426 CB SER A 100 -3.287 -2.525 8.184 1.00 1.00 C ATOM 1427 OG SER A 100 -4.331 -1.970 7.403 1.00 1.00 O ATOM 0 H SER A 100 -1.480 -3.582 6.856 1.00 1.00 H new ATOM 0 HA SER A 100 -2.151 -0.861 7.434 1.00 1.00 H new ATOM 0 HB2 SER A 100 -3.196 -3.590 7.971 1.00 1.00 H new ATOM 0 HB3 SER A 100 -3.531 -2.431 9.242 1.00 1.00 H new ATOM 0 HG SER A 100 -4.449 -2.502 6.589 1.00 1.00 H new ATOM 1433 N ARG A 101 -0.511 -2.617 9.687 1.00 1.00 N ATOM 1434 CA ARG A 101 0.255 -2.502 10.929 1.00 1.00 C ATOM 1435 C ARG A 101 1.546 -1.716 10.707 1.00 1.00 C ATOM 1436 O ARG A 101 2.243 -1.372 11.662 1.00 1.00 O ATOM 1437 CB ARG A 101 0.586 -3.878 11.531 1.00 1.00 C ATOM 1438 CG ARG A 101 0.582 -5.022 10.540 1.00 1.00 C ATOM 1439 CD ARG A 101 0.881 -6.344 11.225 1.00 1.00 C ATOM 1440 NE ARG A 101 2.190 -6.876 10.853 1.00 1.00 N ATOM 1441 CZ ARG A 101 2.710 -7.989 11.367 1.00 1.00 C ATOM 1442 NH1 ARG A 101 2.033 -8.693 12.266 1.00 1.00 N ATOM 1443 NH2 ARG A 101 3.910 -8.400 10.980 1.00 1.00 N ATOM 0 H ARG A 101 -0.465 -3.534 9.243 1.00 1.00 H new ATOM 0 HA ARG A 101 -0.376 -1.963 11.636 1.00 1.00 H new ATOM 0 HB2 ARG A 101 1.568 -3.827 12.001 1.00 1.00 H new ATOM 0 HB3 ARG A 101 -0.134 -4.097 12.320 1.00 1.00 H new ATOM 0 HG2 ARG A 101 -0.389 -5.076 10.047 1.00 1.00 H new ATOM 0 HG3 ARG A 101 1.324 -4.836 9.763 1.00 1.00 H new ATOM 0 HD2 ARG A 101 0.840 -6.208 12.306 1.00 1.00 H new ATOM 0 HD3 ARG A 101 0.109 -7.068 10.965 1.00 1.00 H new ATOM 0 HE ARG A 101 2.737 -6.366 10.160 1.00 1.00 H new ATOM 0 HH11 ARG A 101 1.109 -8.382 12.567 1.00 1.00 H new ATOM 0 HH12 ARG A 101 2.437 -9.545 12.656 1.00 1.00 H new ATOM 0 HH21 ARG A 101 4.434 -7.864 10.289 1.00 1.00 H new ATOM 0 HH22 ARG A 101 4.309 -9.252 11.374 1.00 1.00 H new ATOM 1457 N ASN A 102 1.863 -1.436 9.445 1.00 1.00 N ATOM 1458 CA ASN A 102 3.071 -0.695 9.108 1.00 1.00 C ATOM 1459 C ASN A 102 2.751 0.766 8.810 1.00 1.00 C ATOM 1460 O ASN A 102 3.429 1.410 8.010 1.00 1.00 O ATOM 1461 CB ASN A 102 3.761 -1.340 7.907 1.00 1.00 C ATOM 1462 CG ASN A 102 4.236 -2.747 8.213 1.00 1.00 C ATOM 1463 OD1 ASN A 102 4.304 -3.150 9.374 1.00 1.00 O ATOM 1464 ND2 ASN A 102 4.567 -3.503 7.175 1.00 1.00 N ATOM 0 H ASN A 102 1.299 -1.712 8.641 1.00 1.00 H new ATOM 0 HA ASN A 102 3.743 -0.726 9.966 1.00 1.00 H new ATOM 0 HB2 ASN A 102 3.071 -1.366 7.063 1.00 1.00 H new ATOM 0 HB3 ASN A 102 4.611 -0.728 7.605 1.00 1.00 H new ATOM 0 HD21 ASN A 102 4.893 -4.458 7.323 1.00 1.00 H new ATOM 0 HD22 ASN A 102 4.496 -3.129 6.229 1.00 1.00 H new ATOM 1471 N LEU A 103 1.716 1.282 9.462 1.00 1.00 N ATOM 1472 CA LEU A 103 1.305 2.668 9.274 1.00 1.00 C ATOM 1473 C LEU A 103 1.232 3.395 10.612 1.00 1.00 C ATOM 1474 O LEU A 103 0.466 3.012 11.496 1.00 1.00 O ATOM 1475 CB LEU A 103 -0.054 2.728 8.574 1.00 1.00 C ATOM 1476 CG LEU A 103 -0.121 2.002 7.229 1.00 1.00 C ATOM 1477 CD1 LEU A 103 -1.537 1.515 6.958 1.00 1.00 C ATOM 1478 CD2 LEU A 103 0.359 2.911 6.106 1.00 1.00 C ATOM 0 H LEU A 103 1.145 0.760 10.127 1.00 1.00 H new ATOM 0 HA LEU A 103 2.049 3.162 8.650 1.00 1.00 H new ATOM 0 HB2 LEU A 103 -0.807 2.302 9.238 1.00 1.00 H new ATOM 0 HB3 LEU A 103 -0.320 3.774 8.419 1.00 1.00 H new ATOM 0 HG LEU A 103 0.538 1.135 7.271 1.00 1.00 H new ATOM 0 HD11 LEU A 103 -1.567 1.001 5.997 1.00 1.00 H new ATOM 0 HD12 LEU A 103 -1.843 0.828 7.747 1.00 1.00 H new ATOM 0 HD13 LEU A 103 -2.217 2.367 6.935 1.00 1.00 H new ATOM 0 HD21 LEU A 103 0.304 2.377 5.157 1.00 1.00 H new ATOM 0 HD22 LEU A 103 -0.273 3.798 6.060 1.00 1.00 H new ATOM 0 HD23 LEU A 103 1.390 3.210 6.295 1.00 1.00 H new ATOM 1490 N VAL A 104 2.036 4.442 10.757 1.00 1.00 N ATOM 1491 CA VAL A 104 2.060 5.216 11.991 1.00 1.00 C ATOM 1492 C VAL A 104 0.703 5.860 12.261 1.00 1.00 C ATOM 1493 O VAL A 104 0.168 5.762 13.365 1.00 1.00 O ATOM 1494 CB VAL A 104 3.147 6.311 11.955 1.00 1.00 C ATOM 1495 CG1 VAL A 104 4.532 5.683 11.942 1.00 1.00 C ATOM 1496 CG2 VAL A 104 2.959 7.227 10.753 1.00 1.00 C ATOM 0 H VAL A 104 2.678 4.773 10.037 1.00 1.00 H new ATOM 0 HA VAL A 104 2.294 4.519 12.796 1.00 1.00 H new ATOM 0 HB VAL A 104 3.051 6.917 12.856 1.00 1.00 H new ATOM 0 HG11 VAL A 104 5.287 6.468 11.917 1.00 1.00 H new ATOM 0 HG12 VAL A 104 4.666 5.079 12.840 1.00 1.00 H new ATOM 0 HG13 VAL A 104 4.636 5.050 11.060 1.00 1.00 H new ATOM 0 HG21 VAL A 104 3.738 7.990 10.751 1.00 1.00 H new ATOM 0 HG22 VAL A 104 3.022 6.641 9.836 1.00 1.00 H new ATOM 0 HG23 VAL A 104 1.982 7.707 10.810 1.00 1.00 H new