USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 480 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 70 GLN : amide:sc= -0.0372 K(o=-7.7,f=-5.4) USER MOD Set 1.2: A 74 GLN : amide:sc= -7.62! C(o=-7.7!,f=-11!) USER MOD Single : A 17 MET CE :methyl 179:sc= 0 (180deg=-0.000775) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 123:sc= -4.47! USER MOD Single : A 29 THR OG1 : rot 170:sc= 0.723 USER MOD Single : A 31 GLN : amide:sc= -2.84! C(o=-2.8!,f=-3!) USER MOD Single : A 39 TYR OH : rot -86:sc= -5.34! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 MET CE :methyl 145:sc= -0.0965 (180deg=-0.846) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0.352 K(o=0.35,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 107 N ASP A 11 -2.924 13.247 9.339 1.00 0.00 N ATOM 108 CA ASP A 11 -2.211 12.987 8.101 1.00 0.00 C ATOM 109 C ASP A 11 -1.380 14.217 7.730 1.00 0.00 C ATOM 110 O ASP A 11 -1.818 15.349 7.929 1.00 0.00 O ATOM 111 CB ASP A 11 -3.182 12.707 6.953 1.00 0.00 C ATOM 112 CG ASP A 11 -4.456 13.554 6.964 1.00 0.00 C ATOM 113 OD1 ASP A 11 -5.425 13.113 7.618 1.00 0.00 O ATOM 114 OD2 ASP A 11 -4.433 14.624 6.317 1.00 0.00 O ATOM 0 HA ASP A 11 -1.576 12.115 8.254 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.662 12.871 6.009 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.463 11.654 6.983 1.00 0.00 H new ATOM 119 N ASP A 12 -0.197 13.953 7.195 1.00 0.00 N ATOM 120 CA ASP A 12 0.699 15.025 6.793 1.00 0.00 C ATOM 121 C ASP A 12 0.467 15.349 5.316 1.00 0.00 C ATOM 122 O ASP A 12 -0.598 15.064 4.773 1.00 0.00 O ATOM 123 CB ASP A 12 2.163 14.614 6.964 1.00 0.00 C ATOM 124 CG ASP A 12 3.099 15.732 7.423 1.00 0.00 C ATOM 125 OD1 ASP A 12 2.978 16.125 8.603 1.00 0.00 O ATOM 126 OD2 ASP A 12 3.915 16.170 6.582 1.00 0.00 O ATOM 0 H ASP A 12 0.162 13.013 7.030 1.00 0.00 H new ATOM 0 HA ASP A 12 0.493 15.891 7.422 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.214 13.799 7.686 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.528 14.222 6.015 1.00 0.00 H new ATOM 131 N GLU A 13 1.485 15.942 4.707 1.00 0.00 N ATOM 132 CA GLU A 13 1.407 16.308 3.303 1.00 0.00 C ATOM 133 C GLU A 13 1.843 15.135 2.423 1.00 0.00 C ATOM 134 O GLU A 13 1.454 15.049 1.260 1.00 0.00 O ATOM 135 CB GLU A 13 2.248 17.553 3.014 1.00 0.00 C ATOM 136 CG GLU A 13 1.660 18.784 3.707 1.00 0.00 C ATOM 137 CD GLU A 13 1.495 19.942 2.720 1.00 0.00 C ATOM 138 OE1 GLU A 13 2.514 20.302 2.092 1.00 0.00 O ATOM 139 OE2 GLU A 13 0.353 20.441 2.616 1.00 0.00 O ATOM 0 H GLU A 13 2.368 16.178 5.161 1.00 0.00 H new ATOM 0 HA GLU A 13 0.370 16.547 3.067 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.271 17.393 3.355 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.294 17.724 1.938 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.693 18.533 4.144 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.310 19.090 4.527 1.00 0.00 H new ATOM 146 N VAL A 14 2.645 14.261 3.013 1.00 0.00 N ATOM 147 CA VAL A 14 3.138 13.097 2.298 1.00 0.00 C ATOM 148 C VAL A 14 2.026 12.050 2.207 1.00 0.00 C ATOM 149 O VAL A 14 1.889 11.372 1.191 1.00 0.00 O ATOM 150 CB VAL A 14 4.406 12.567 2.971 1.00 0.00 C ATOM 151 CG1 VAL A 14 4.068 11.830 4.270 1.00 0.00 C ATOM 152 CG2 VAL A 14 5.197 11.666 2.021 1.00 0.00 C ATOM 0 H VAL A 14 2.966 14.336 3.978 1.00 0.00 H new ATOM 0 HA VAL A 14 3.416 13.365 1.279 1.00 0.00 H new ATOM 0 HB VAL A 14 5.034 13.422 3.222 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.986 11.463 4.729 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.567 12.513 4.956 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.410 10.989 4.051 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.093 11.303 2.525 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.579 10.818 1.725 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.483 12.233 1.135 1.00 0.00 H new ATOM 162 N VAL A 15 1.262 11.951 3.285 1.00 0.00 N ATOM 163 CA VAL A 15 0.166 10.998 3.339 1.00 0.00 C ATOM 164 C VAL A 15 -0.788 11.257 2.171 1.00 0.00 C ATOM 165 O VAL A 15 -1.004 10.379 1.335 1.00 0.00 O ATOM 166 CB VAL A 15 -0.525 11.073 4.702 1.00 0.00 C ATOM 167 CG1 VAL A 15 -1.966 10.566 4.616 1.00 0.00 C ATOM 168 CG2 VAL A 15 0.266 10.302 5.761 1.00 0.00 C ATOM 0 H VAL A 15 1.380 12.514 4.127 1.00 0.00 H new ATOM 0 HA VAL A 15 0.540 9.980 3.234 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.557 12.120 5.004 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.434 10.630 5.599 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.525 11.177 3.907 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.967 9.529 4.281 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.247 10.371 6.720 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.344 9.256 5.466 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.265 10.729 5.852 1.00 0.00 H new ATOM 178 N ALA A 16 -1.334 12.463 2.149 1.00 0.00 N ATOM 179 CA ALA A 16 -2.259 12.848 1.097 1.00 0.00 C ATOM 180 C ALA A 16 -1.694 12.414 -0.257 1.00 0.00 C ATOM 181 O ALA A 16 -2.448 12.117 -1.182 1.00 0.00 O ATOM 182 CB ALA A 16 -2.514 14.355 1.167 1.00 0.00 C ATOM 0 H ALA A 16 -1.153 13.188 2.844 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.219 12.349 1.229 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.208 14.644 0.378 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.943 14.607 2.137 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.573 14.890 1.036 1.00 0.00 H new ATOM 188 N MET A 17 -0.371 12.393 -0.330 1.00 0.00 N ATOM 189 CA MET A 17 0.303 12.000 -1.556 1.00 0.00 C ATOM 190 C MET A 17 0.156 10.497 -1.807 1.00 0.00 C ATOM 191 O MET A 17 -0.423 10.086 -2.811 1.00 0.00 O ATOM 192 CB MET A 17 1.789 12.357 -1.458 1.00 0.00 C ATOM 193 CG MET A 17 2.213 13.257 -2.620 1.00 0.00 C ATOM 194 SD MET A 17 2.961 14.751 -1.992 1.00 0.00 S ATOM 195 CE MET A 17 4.682 14.390 -2.301 1.00 0.00 C ATOM 0 H MET A 17 0.251 12.641 0.439 1.00 0.00 H new ATOM 0 HA MET A 17 -0.156 12.535 -2.388 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.984 12.862 -0.512 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.387 11.446 -1.462 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.919 12.729 -3.261 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.347 13.504 -3.234 1.00 0.00 H new ATOM 0 HE1 MET A 17 5.294 15.234 -1.982 1.00 0.00 H new ATOM 0 HE2 MET A 17 4.973 13.500 -1.744 1.00 0.00 H new ATOM 0 HE3 MET A 17 4.832 14.216 -3.367 1.00 0.00 H new ATOM 205 N ILE A 18 0.689 9.719 -0.876 1.00 0.00 N ATOM 206 CA ILE A 18 0.622 8.272 -0.983 1.00 0.00 C ATOM 207 C ILE A 18 -0.826 7.849 -1.244 1.00 0.00 C ATOM 208 O ILE A 18 -1.079 6.949 -2.043 1.00 0.00 O ATOM 209 CB ILE A 18 1.242 7.614 0.251 1.00 0.00 C ATOM 210 CG1 ILE A 18 2.755 7.834 0.287 1.00 0.00 C ATOM 211 CG2 ILE A 18 0.878 6.130 0.322 1.00 0.00 C ATOM 212 CD1 ILE A 18 3.222 8.205 1.696 1.00 0.00 C ATOM 0 H ILE A 18 1.169 10.064 -0.045 1.00 0.00 H new ATOM 0 HA ILE A 18 1.213 7.926 -1.831 1.00 0.00 H new ATOM 0 HB ILE A 18 0.825 8.091 1.138 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.266 6.929 -0.043 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.028 8.626 -0.411 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.331 5.686 1.208 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.205 6.023 0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.248 5.622 -0.568 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.302 8.356 1.694 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.728 9.123 2.013 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.970 7.400 2.387 1.00 0.00 H new ATOM 224 N LYS A 19 -1.737 8.519 -0.554 1.00 0.00 N ATOM 225 CA LYS A 19 -3.152 8.225 -0.700 1.00 0.00 C ATOM 226 C LYS A 19 -3.499 8.137 -2.187 1.00 0.00 C ATOM 227 O LYS A 19 -4.205 7.222 -2.611 1.00 0.00 O ATOM 228 CB LYS A 19 -3.994 9.245 0.068 1.00 0.00 C ATOM 229 CG LYS A 19 -4.286 8.757 1.489 1.00 0.00 C ATOM 230 CD LYS A 19 -5.679 9.196 1.943 1.00 0.00 C ATOM 231 CE LYS A 19 -6.011 8.626 3.324 1.00 0.00 C ATOM 232 NZ LYS A 19 -7.252 9.233 3.852 1.00 0.00 N ATOM 0 H LYS A 19 -1.522 9.265 0.108 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.387 7.256 -0.259 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.468 10.199 0.108 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.931 9.419 -0.460 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.213 7.670 1.526 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.535 9.151 2.174 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.729 10.284 1.973 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.423 8.863 1.220 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.128 7.544 3.259 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.186 8.817 4.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.462 8.835 4.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.128 10.262 3.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.040 9.030 3.205 1.00 0.00 H new ATOM 246 N GLU A 20 -2.988 9.100 -2.940 1.00 0.00 N ATOM 247 CA GLU A 20 -3.235 9.142 -4.371 1.00 0.00 C ATOM 248 C GLU A 20 -2.587 7.937 -5.058 1.00 0.00 C ATOM 249 O GLU A 20 -3.264 7.170 -5.740 1.00 0.00 O ATOM 250 CB GLU A 20 -2.730 10.454 -4.976 1.00 0.00 C ATOM 251 CG GLU A 20 -3.704 10.982 -6.031 1.00 0.00 C ATOM 252 CD GLU A 20 -2.990 11.237 -7.359 1.00 0.00 C ATOM 253 OE1 GLU A 20 -1.989 11.986 -7.330 1.00 0.00 O ATOM 254 OE2 GLU A 20 -3.460 10.678 -8.372 1.00 0.00 O ATOM 0 H GLU A 20 -2.404 9.857 -2.586 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.311 9.094 -4.535 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.604 11.197 -4.188 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.750 10.297 -5.427 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.509 10.263 -6.180 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.163 11.906 -5.678 1.00 0.00 H new ATOM 261 N LEU A 21 -1.285 7.809 -4.854 1.00 0.00 N ATOM 262 CA LEU A 21 -0.539 6.711 -5.444 1.00 0.00 C ATOM 263 C LEU A 21 -1.240 5.391 -5.119 1.00 0.00 C ATOM 264 O LEU A 21 -1.031 4.388 -5.800 1.00 0.00 O ATOM 265 CB LEU A 21 0.924 6.757 -4.999 1.00 0.00 C ATOM 266 CG LEU A 21 1.967 6.698 -6.117 1.00 0.00 C ATOM 267 CD1 LEU A 21 3.386 6.697 -5.545 1.00 0.00 C ATOM 268 CD2 LEU A 21 1.719 5.499 -7.035 1.00 0.00 C ATOM 0 H LEU A 21 -0.727 8.448 -4.288 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.520 6.803 -6.530 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.081 7.673 -4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.102 5.925 -4.318 1.00 0.00 H new ATOM 0 HG LEU A 21 1.866 7.597 -6.725 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.107 6.655 -6.361 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.546 7.607 -4.967 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.517 5.829 -4.899 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.474 5.480 -7.821 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.777 4.578 -6.454 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.730 5.583 -7.484 1.00 0.00 H new ATOM 280 N LEU A 22 -2.057 5.433 -4.076 1.00 0.00 N ATOM 281 CA LEU A 22 -2.790 4.253 -3.652 1.00 0.00 C ATOM 282 C LEU A 22 -4.076 4.134 -4.473 1.00 0.00 C ATOM 283 O LEU A 22 -4.488 3.031 -4.830 1.00 0.00 O ATOM 284 CB LEU A 22 -3.026 4.283 -2.140 1.00 0.00 C ATOM 285 CG LEU A 22 -1.938 3.639 -1.278 1.00 0.00 C ATOM 286 CD1 LEU A 22 -2.374 2.257 -0.788 1.00 0.00 C ATOM 287 CD2 LEU A 22 -0.605 3.588 -2.026 1.00 0.00 C ATOM 0 H LEU A 22 -2.227 6.266 -3.513 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.205 3.353 -3.842 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.139 5.322 -1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.972 3.783 -1.930 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.788 4.261 -0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.583 1.821 -0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.282 2.352 -0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.569 1.612 -1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.151 3.126 -1.391 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.721 3.002 -2.937 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.293 4.600 -2.283 1.00 0.00 H new ATOM 299 N ASP A 23 -4.673 5.283 -4.748 1.00 0.00 N ATOM 300 CA ASP A 23 -5.903 5.321 -5.520 1.00 0.00 C ATOM 301 C ASP A 23 -5.569 5.223 -7.010 1.00 0.00 C ATOM 302 O ASP A 23 -6.304 4.603 -7.775 1.00 0.00 O ATOM 303 CB ASP A 23 -6.657 6.632 -5.290 1.00 0.00 C ATOM 304 CG ASP A 23 -7.952 6.502 -4.485 1.00 0.00 C ATOM 305 OD1 ASP A 23 -7.869 5.964 -3.359 1.00 0.00 O ATOM 306 OD2 ASP A 23 -8.996 6.942 -5.014 1.00 0.00 O ATOM 0 H ASP A 23 -4.328 6.195 -4.450 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.526 4.485 -5.202 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.995 7.328 -4.775 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.892 7.073 -6.259 1.00 0.00 H new ATOM 311 N THR A 24 -4.458 5.845 -7.376 1.00 0.00 N ATOM 312 CA THR A 24 -4.017 5.836 -8.760 1.00 0.00 C ATOM 313 C THR A 24 -4.330 4.487 -9.411 1.00 0.00 C ATOM 314 O THR A 24 -5.379 4.320 -10.029 1.00 0.00 O ATOM 315 CB THR A 24 -2.529 6.192 -8.785 1.00 0.00 C ATOM 316 OG1 THR A 24 -2.004 5.573 -7.613 1.00 0.00 O ATOM 317 CG2 THR A 24 -2.280 7.685 -8.561 1.00 0.00 C ATOM 0 H THR A 24 -3.850 6.359 -6.738 1.00 0.00 H new ATOM 0 HA THR A 24 -4.553 6.579 -9.350 1.00 0.00 H new ATOM 0 HB THR A 24 -2.100 5.892 -9.741 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.280 4.962 -7.862 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.209 7.883 -8.588 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.775 8.258 -9.345 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.679 7.979 -7.590 1.00 0.00 H new ATOM 325 N ARG A 25 -3.399 3.558 -9.248 1.00 0.00 N ATOM 326 CA ARG A 25 -3.561 2.229 -9.811 1.00 0.00 C ATOM 327 C ARG A 25 -2.981 1.176 -8.865 1.00 0.00 C ATOM 328 O ARG A 25 -2.270 0.269 -9.300 1.00 0.00 O ATOM 329 CB ARG A 25 -2.871 2.119 -11.171 1.00 0.00 C ATOM 330 CG ARG A 25 -3.808 2.557 -12.300 1.00 0.00 C ATOM 331 CD ARG A 25 -3.773 1.560 -13.460 1.00 0.00 C ATOM 332 NE ARG A 25 -4.416 2.152 -14.654 1.00 0.00 N ATOM 333 CZ ARG A 25 -4.179 1.751 -15.911 1.00 0.00 C ATOM 334 NH1 ARG A 25 -3.313 0.757 -16.144 1.00 0.00 N ATOM 335 NH2 ARG A 25 -4.810 2.346 -16.933 1.00 0.00 N ATOM 0 H ARG A 25 -2.530 3.700 -8.734 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.629 2.054 -9.943 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.973 2.737 -11.178 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.551 1.091 -11.338 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.826 2.642 -11.920 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.517 3.545 -12.656 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.742 1.290 -13.688 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.288 0.642 -13.177 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.081 2.912 -14.512 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.834 0.305 -15.365 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.132 0.452 -17.100 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.470 3.103 -16.754 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.630 2.042 -17.890 1.00 0.00 H new ATOM 349 N ILE A 26 -3.301 1.331 -7.589 1.00 0.00 N ATOM 350 CA ILE A 26 -2.820 0.406 -6.578 1.00 0.00 C ATOM 351 C ILE A 26 -4.015 -0.242 -5.874 1.00 0.00 C ATOM 352 O ILE A 26 -4.078 -1.463 -5.749 1.00 0.00 O ATOM 353 CB ILE A 26 -1.853 1.109 -5.624 1.00 0.00 C ATOM 354 CG1 ILE A 26 -0.518 1.400 -6.314 1.00 0.00 C ATOM 355 CG2 ILE A 26 -1.670 0.305 -4.336 1.00 0.00 C ATOM 356 CD1 ILE A 26 0.446 2.113 -5.363 1.00 0.00 C ATOM 0 H ILE A 26 -3.888 2.085 -7.232 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.247 -0.398 -7.041 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.287 2.069 -5.344 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.071 0.467 -6.658 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.687 2.017 -7.196 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.978 0.828 -3.676 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.633 0.193 -3.837 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.269 -0.680 -4.576 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.387 2.308 -5.878 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.007 3.057 -5.040 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.632 1.483 -4.493 1.00 0.00 H new ATOM 368 N ARG A 27 -4.933 0.607 -5.434 1.00 0.00 N ATOM 369 CA ARG A 27 -6.122 0.133 -4.747 1.00 0.00 C ATOM 370 C ARG A 27 -7.104 -0.480 -5.746 1.00 0.00 C ATOM 371 O ARG A 27 -7.601 -1.586 -5.537 1.00 0.00 O ATOM 372 CB ARG A 27 -6.814 1.272 -3.995 1.00 0.00 C ATOM 373 CG ARG A 27 -8.335 1.177 -4.137 1.00 0.00 C ATOM 374 CD ARG A 27 -9.028 2.295 -3.355 1.00 0.00 C ATOM 375 NE ARG A 27 -10.324 1.814 -2.827 1.00 0.00 N ATOM 376 CZ ARG A 27 -11.141 2.548 -2.058 1.00 0.00 C ATOM 377 NH1 ARG A 27 -10.800 3.800 -1.723 1.00 0.00 N ATOM 378 NH2 ARG A 27 -12.298 2.029 -1.625 1.00 0.00 N ATOM 0 H ARG A 27 -4.877 1.620 -5.540 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.810 -0.625 -4.029 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.540 1.236 -2.941 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.468 2.231 -4.381 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.610 1.240 -5.190 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.678 0.208 -3.775 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.391 2.625 -2.534 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.187 3.158 -4.002 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.614 0.865 -3.063 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.919 4.194 -2.053 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -11.421 4.359 -1.138 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -12.557 1.076 -1.880 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.920 2.587 -1.040 1.00 0.00 H new ATOM 392 N PRO A 28 -7.362 0.284 -6.842 1.00 0.00 N ATOM 393 CA PRO A 28 -8.276 -0.172 -7.875 1.00 0.00 C ATOM 394 C PRO A 28 -7.628 -1.255 -8.741 1.00 0.00 C ATOM 395 O PRO A 28 -8.245 -1.754 -9.681 1.00 0.00 O ATOM 396 CB PRO A 28 -8.638 1.078 -8.659 1.00 0.00 C ATOM 397 CG PRO A 28 -7.563 2.102 -8.334 1.00 0.00 C ATOM 398 CD PRO A 28 -6.793 1.599 -7.124 1.00 0.00 C ATOM 0 HA PRO A 28 -9.170 -0.643 -7.468 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -8.670 0.872 -9.729 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.625 1.444 -8.375 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.894 2.236 -9.184 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.011 3.073 -8.125 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.726 1.532 -7.334 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.909 2.271 -6.274 1.00 0.00 H new ATOM 406 N THR A 29 -6.394 -1.587 -8.392 1.00 0.00 N ATOM 407 CA THR A 29 -5.656 -2.601 -9.125 1.00 0.00 C ATOM 408 C THR A 29 -5.767 -3.954 -8.421 1.00 0.00 C ATOM 409 O THR A 29 -5.978 -4.979 -9.068 1.00 0.00 O ATOM 410 CB THR A 29 -4.214 -2.114 -9.284 1.00 0.00 C ATOM 411 OG1 THR A 29 -4.280 -1.177 -10.355 1.00 0.00 O ATOM 412 CG2 THR A 29 -3.281 -3.209 -9.804 1.00 0.00 C ATOM 0 H THR A 29 -5.886 -1.171 -7.611 1.00 0.00 H new ATOM 0 HA THR A 29 -6.074 -2.753 -10.120 1.00 0.00 H new ATOM 0 HB THR A 29 -3.846 -1.749 -8.325 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.431 -0.691 -10.417 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.271 -2.811 -9.899 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.278 -4.046 -9.106 1.00 0.00 H new ATOM 0 HG23 THR A 29 -3.629 -3.551 -10.779 1.00 0.00 H new ATOM 420 N VAL A 30 -5.619 -3.915 -7.105 1.00 0.00 N ATOM 421 CA VAL A 30 -5.699 -5.125 -6.306 1.00 0.00 C ATOM 422 C VAL A 30 -7.168 -5.514 -6.123 1.00 0.00 C ATOM 423 O VAL A 30 -7.500 -6.698 -6.079 1.00 0.00 O ATOM 424 CB VAL A 30 -4.964 -4.927 -4.979 1.00 0.00 C ATOM 425 CG1 VAL A 30 -3.449 -4.905 -5.190 1.00 0.00 C ATOM 426 CG2 VAL A 30 -5.439 -3.653 -4.275 1.00 0.00 C ATOM 0 H VAL A 30 -5.444 -3.063 -6.572 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.204 -5.952 -6.816 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.200 -5.774 -4.335 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.950 -4.763 -4.231 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.129 -5.850 -5.629 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.187 -4.086 -5.860 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.901 -3.535 -3.334 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.246 -2.791 -4.914 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.508 -3.725 -4.075 1.00 0.00 H new ATOM 436 N GLN A 31 -8.008 -4.495 -6.023 1.00 0.00 N ATOM 437 CA GLN A 31 -9.434 -4.716 -5.847 1.00 0.00 C ATOM 438 C GLN A 31 -10.016 -5.430 -7.069 1.00 0.00 C ATOM 439 O GLN A 31 -11.076 -6.047 -6.983 1.00 0.00 O ATOM 440 CB GLN A 31 -10.164 -3.397 -5.584 1.00 0.00 C ATOM 441 CG GLN A 31 -10.569 -2.724 -6.897 1.00 0.00 C ATOM 442 CD GLN A 31 -11.350 -1.434 -6.633 1.00 0.00 C ATOM 443 OE1 GLN A 31 -11.915 -1.226 -5.573 1.00 0.00 O ATOM 444 NE2 GLN A 31 -11.348 -0.582 -7.655 1.00 0.00 N ATOM 0 H GLN A 31 -7.729 -3.514 -6.060 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.578 -5.354 -4.975 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.051 -3.582 -4.978 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.520 -2.729 -5.012 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.679 -2.501 -7.485 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -11.178 -3.408 -7.488 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.854 -0.819 -8.515 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.840 0.308 -7.578 1.00 0.00 H new ATOM 453 N GLU A 32 -9.295 -5.324 -8.175 1.00 0.00 N ATOM 454 CA GLU A 32 -9.726 -5.953 -9.412 1.00 0.00 C ATOM 455 C GLU A 32 -9.578 -7.473 -9.315 1.00 0.00 C ATOM 456 O GLU A 32 -10.070 -8.204 -10.172 1.00 0.00 O ATOM 457 CB GLU A 32 -8.949 -5.402 -10.608 1.00 0.00 C ATOM 458 CG GLU A 32 -8.903 -6.419 -11.749 1.00 0.00 C ATOM 459 CD GLU A 32 -8.244 -5.819 -12.993 1.00 0.00 C ATOM 460 OE1 GLU A 32 -7.137 -5.260 -12.836 1.00 0.00 O ATOM 461 OE2 GLU A 32 -8.863 -5.933 -14.074 1.00 0.00 O ATOM 0 H GLU A 32 -8.415 -4.812 -8.241 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.779 -5.719 -9.567 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.416 -4.481 -10.956 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.934 -5.149 -10.301 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.350 -7.303 -11.431 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.914 -6.746 -11.991 1.00 0.00 H new ATOM 468 N ASP A 33 -8.897 -7.903 -8.263 1.00 0.00 N ATOM 469 CA ASP A 33 -8.677 -9.322 -8.043 1.00 0.00 C ATOM 470 C ASP A 33 -9.717 -9.847 -7.051 1.00 0.00 C ATOM 471 O ASP A 33 -10.490 -10.747 -7.375 1.00 0.00 O ATOM 472 CB ASP A 33 -7.288 -9.579 -7.453 1.00 0.00 C ATOM 473 CG ASP A 33 -6.817 -11.033 -7.519 1.00 0.00 C ATOM 474 OD1 ASP A 33 -6.621 -11.514 -8.656 1.00 0.00 O ATOM 475 OD2 ASP A 33 -6.662 -11.630 -6.432 1.00 0.00 O ATOM 0 H ASP A 33 -8.490 -7.293 -7.554 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.760 -9.829 -9.004 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.565 -8.954 -7.978 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.288 -9.260 -6.411 1.00 0.00 H new ATOM 480 N GLY A 34 -9.702 -9.263 -5.862 1.00 0.00 N ATOM 481 CA GLY A 34 -10.635 -9.660 -4.822 1.00 0.00 C ATOM 482 C GLY A 34 -10.403 -8.855 -3.540 1.00 0.00 C ATOM 483 O GLY A 34 -11.296 -8.149 -3.077 1.00 0.00 O ATOM 0 H GLY A 34 -9.058 -8.518 -5.596 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.657 -9.511 -5.169 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.521 -10.724 -4.613 1.00 0.00 H new ATOM 487 N GLY A 35 -9.198 -8.990 -3.005 1.00 0.00 N ATOM 488 CA GLY A 35 -8.837 -8.284 -1.788 1.00 0.00 C ATOM 489 C GLY A 35 -8.958 -6.771 -1.974 1.00 0.00 C ATOM 490 O GLY A 35 -9.674 -6.306 -2.861 1.00 0.00 O ATOM 0 H GLY A 35 -8.460 -9.578 -3.392 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.483 -8.606 -0.971 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.815 -8.538 -1.505 1.00 0.00 H new ATOM 494 N ASP A 36 -8.247 -6.043 -1.126 1.00 0.00 N ATOM 495 CA ASP A 36 -8.266 -4.591 -1.186 1.00 0.00 C ATOM 496 C ASP A 36 -7.106 -4.036 -0.358 1.00 0.00 C ATOM 497 O ASP A 36 -6.758 -4.594 0.683 1.00 0.00 O ATOM 498 CB ASP A 36 -9.568 -4.032 -0.610 1.00 0.00 C ATOM 499 CG ASP A 36 -9.697 -2.509 -0.662 1.00 0.00 C ATOM 500 OD1 ASP A 36 -9.171 -1.928 -1.636 1.00 0.00 O ATOM 501 OD2 ASP A 36 -10.319 -1.960 0.274 1.00 0.00 O ATOM 0 H ASP A 36 -7.654 -6.432 -0.393 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.179 -4.296 -2.232 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.405 -4.471 -1.152 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.656 -4.354 0.428 1.00 0.00 H new ATOM 506 N VAL A 37 -6.540 -2.944 -0.849 1.00 0.00 N ATOM 507 CA VAL A 37 -5.426 -2.307 -0.167 1.00 0.00 C ATOM 508 C VAL A 37 -5.945 -1.120 0.649 1.00 0.00 C ATOM 509 O VAL A 37 -6.718 -0.307 0.146 1.00 0.00 O ATOM 510 CB VAL A 37 -4.350 -1.910 -1.179 1.00 0.00 C ATOM 511 CG1 VAL A 37 -4.681 -0.568 -1.834 1.00 0.00 C ATOM 512 CG2 VAL A 37 -2.967 -1.874 -0.523 1.00 0.00 C ATOM 0 H VAL A 37 -6.832 -2.484 -1.711 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.957 -3.002 0.530 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.330 -2.668 -1.962 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.900 -0.310 -2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.637 -0.642 -2.352 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.742 0.205 -1.068 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.220 -1.589 -1.264 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.968 -1.147 0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.727 -2.860 -0.126 1.00 0.00 H new ATOM 522 N ILE A 38 -5.499 -1.061 1.896 1.00 0.00 N ATOM 523 CA ILE A 38 -5.908 0.013 2.786 1.00 0.00 C ATOM 524 C ILE A 38 -4.691 0.515 3.565 1.00 0.00 C ATOM 525 O ILE A 38 -4.178 -0.179 4.441 1.00 0.00 O ATOM 526 CB ILE A 38 -7.063 -0.445 3.679 1.00 0.00 C ATOM 527 CG1 ILE A 38 -7.918 -1.499 2.973 1.00 0.00 C ATOM 528 CG2 ILE A 38 -7.898 0.749 4.148 1.00 0.00 C ATOM 529 CD1 ILE A 38 -7.329 -2.899 3.164 1.00 0.00 C ATOM 0 H ILE A 38 -4.859 -1.739 2.311 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.291 0.858 2.214 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.642 -0.915 4.568 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.934 -1.471 3.366 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.981 -1.269 1.909 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.713 0.397 4.781 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.267 1.434 4.715 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.310 1.268 3.282 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.955 -3.630 2.653 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.322 -2.930 2.748 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.290 -3.135 4.227 1.00 0.00 H new ATOM 541 N TYR A 39 -4.262 1.720 3.217 1.00 0.00 N ATOM 542 CA TYR A 39 -3.116 2.325 3.872 1.00 0.00 C ATOM 543 C TYR A 39 -3.477 2.803 5.280 1.00 0.00 C ATOM 544 O TYR A 39 -4.132 3.831 5.441 1.00 0.00 O ATOM 545 CB TYR A 39 -2.731 3.535 3.019 1.00 0.00 C ATOM 546 CG TYR A 39 -1.970 4.620 3.784 1.00 0.00 C ATOM 547 CD1 TYR A 39 -1.206 4.282 4.881 1.00 0.00 C ATOM 548 CD2 TYR A 39 -2.048 5.936 3.376 1.00 0.00 C ATOM 549 CE1 TYR A 39 -0.489 5.302 5.602 1.00 0.00 C ATOM 550 CE2 TYR A 39 -1.331 6.956 4.096 1.00 0.00 C ATOM 551 CZ TYR A 39 -0.587 6.590 5.173 1.00 0.00 C ATOM 552 OH TYR A 39 0.090 7.553 5.853 1.00 0.00 O ATOM 0 H TYR A 39 -4.689 2.293 2.489 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.304 1.604 3.965 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.119 3.197 2.183 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.636 3.971 2.595 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.145 3.252 5.200 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.647 6.201 2.517 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.112 5.051 6.463 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.383 7.990 3.787 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.455 7.868 6.604 1.00 0.00 H new ATOM 562 N ARG A 40 -3.034 2.032 6.263 1.00 0.00 N ATOM 563 CA ARG A 40 -3.303 2.364 7.653 1.00 0.00 C ATOM 564 C ARG A 40 -2.005 2.344 8.463 1.00 0.00 C ATOM 565 O ARG A 40 -1.614 1.304 8.990 1.00 0.00 O ATOM 566 CB ARG A 40 -4.297 1.380 8.272 1.00 0.00 C ATOM 567 CG ARG A 40 -5.362 0.964 7.254 1.00 0.00 C ATOM 568 CD ARG A 40 -6.401 2.071 7.064 1.00 0.00 C ATOM 569 NE ARG A 40 -7.763 1.491 7.058 1.00 0.00 N ATOM 570 CZ ARG A 40 -8.882 2.207 6.882 1.00 0.00 C ATOM 571 NH1 ARG A 40 -8.809 3.531 6.697 1.00 0.00 N ATOM 572 NH2 ARG A 40 -10.075 1.596 6.893 1.00 0.00 N ATOM 0 H ARG A 40 -2.491 1.179 6.125 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.736 3.364 7.678 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.766 0.498 8.630 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.775 1.837 9.138 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.888 0.737 6.299 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.855 0.052 7.590 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.313 2.805 7.865 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.217 2.597 6.127 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.855 0.485 7.196 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.901 3.996 6.690 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.661 4.075 6.563 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.130 0.587 7.035 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.928 2.140 6.759 1.00 0.00 H new ATOM 586 N GLY A 41 -1.375 3.508 8.538 1.00 0.00 N ATOM 587 CA GLY A 41 -0.129 3.638 9.275 1.00 0.00 C ATOM 588 C GLY A 41 1.051 3.851 8.326 1.00 0.00 C ATOM 589 O GLY A 41 1.175 3.157 7.318 1.00 0.00 O ATOM 0 H GLY A 41 -1.704 4.369 8.101 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.198 4.476 9.968 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.038 2.743 9.874 1.00 0.00 H new ATOM 593 N PHE A 42 1.888 4.815 8.681 1.00 0.00 N ATOM 594 CA PHE A 42 3.054 5.129 7.873 1.00 0.00 C ATOM 595 C PHE A 42 4.247 5.504 8.754 1.00 0.00 C ATOM 596 O PHE A 42 4.261 6.572 9.366 1.00 0.00 O ATOM 597 CB PHE A 42 2.682 6.329 7.000 1.00 0.00 C ATOM 598 CG PHE A 42 3.786 6.759 6.032 1.00 0.00 C ATOM 599 CD1 PHE A 42 4.844 7.485 6.486 1.00 0.00 C ATOM 600 CD2 PHE A 42 3.711 6.417 4.719 1.00 0.00 C ATOM 601 CE1 PHE A 42 5.869 7.885 5.588 1.00 0.00 C ATOM 602 CE2 PHE A 42 4.736 6.817 3.820 1.00 0.00 C ATOM 603 CZ PHE A 42 5.793 7.542 4.274 1.00 0.00 C ATOM 0 H PHE A 42 1.782 5.389 9.517 1.00 0.00 H new ATOM 0 HA PHE A 42 3.337 4.263 7.275 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.786 6.086 6.429 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.430 7.171 7.645 1.00 0.00 H new ATOM 0 HD1 PHE A 42 4.904 7.757 7.529 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.872 5.841 4.359 1.00 0.00 H new ATOM 0 HE1 PHE A 42 6.708 8.461 5.948 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.676 6.545 2.776 1.00 0.00 H new ATOM 0 HZ PHE A 42 6.573 7.846 3.591 1.00 0.00 H new ATOM 613 N GLU A 43 5.220 4.605 8.793 1.00 0.00 N ATOM 614 CA GLU A 43 6.414 4.828 9.589 1.00 0.00 C ATOM 615 C GLU A 43 7.659 4.395 8.812 1.00 0.00 C ATOM 616 O GLU A 43 7.583 3.524 7.947 1.00 0.00 O ATOM 617 CB GLU A 43 6.324 4.098 10.931 1.00 0.00 C ATOM 618 CG GLU A 43 6.919 4.945 12.057 1.00 0.00 C ATOM 619 CD GLU A 43 7.998 4.169 12.815 1.00 0.00 C ATOM 620 OE1 GLU A 43 8.931 3.688 12.138 1.00 0.00 O ATOM 621 OE2 GLU A 43 7.864 4.075 14.054 1.00 0.00 O ATOM 0 H GLU A 43 5.205 3.720 8.286 1.00 0.00 H new ATOM 0 HA GLU A 43 6.493 5.895 9.798 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.282 3.869 11.155 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.853 3.147 10.868 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.346 5.858 11.643 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.130 5.246 12.746 1.00 0.00 H new ATOM 628 N ASP A 44 8.776 5.023 9.149 1.00 0.00 N ATOM 629 CA ASP A 44 10.035 4.713 8.493 1.00 0.00 C ATOM 630 C ASP A 44 9.788 4.496 6.999 1.00 0.00 C ATOM 631 O ASP A 44 10.502 3.732 6.353 1.00 0.00 O ATOM 632 CB ASP A 44 10.651 3.433 9.061 1.00 0.00 C ATOM 633 CG ASP A 44 11.468 3.620 10.341 1.00 0.00 C ATOM 634 OD1 ASP A 44 12.392 4.459 10.307 1.00 0.00 O ATOM 635 OD2 ASP A 44 11.148 2.918 11.325 1.00 0.00 O ATOM 0 H ASP A 44 8.835 5.745 9.867 1.00 0.00 H new ATOM 0 HA ASP A 44 10.716 5.547 8.661 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.851 2.720 9.260 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.293 2.988 8.300 1.00 0.00 H new ATOM 640 N GLY A 45 8.773 5.184 6.494 1.00 0.00 N ATOM 641 CA GLY A 45 8.423 5.077 5.088 1.00 0.00 C ATOM 642 C GLY A 45 7.499 3.882 4.843 1.00 0.00 C ATOM 643 O GLY A 45 6.532 3.985 4.090 1.00 0.00 O ATOM 0 H GLY A 45 8.183 5.817 7.034 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.933 5.994 4.761 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.329 4.970 4.491 1.00 0.00 H new ATOM 647 N ILE A 46 7.831 2.776 5.492 1.00 0.00 N ATOM 648 CA ILE A 46 7.043 1.562 5.354 1.00 0.00 C ATOM 649 C ILE A 46 5.557 1.910 5.457 1.00 0.00 C ATOM 650 O ILE A 46 5.035 2.104 6.555 1.00 0.00 O ATOM 651 CB ILE A 46 7.499 0.509 6.365 1.00 0.00 C ATOM 652 CG1 ILE A 46 8.926 0.042 6.064 1.00 0.00 C ATOM 653 CG2 ILE A 46 6.514 -0.660 6.423 1.00 0.00 C ATOM 654 CD1 ILE A 46 8.981 -0.739 4.750 1.00 0.00 C ATOM 0 H ILE A 46 8.635 2.694 6.115 1.00 0.00 H new ATOM 0 HA ILE A 46 7.200 1.116 4.372 1.00 0.00 H new ATOM 0 HB ILE A 46 7.511 0.968 7.354 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.590 0.904 6.007 1.00 0.00 H new ATOM 0 HG13 ILE A 46 9.287 -0.585 6.879 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.863 -1.394 7.150 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.531 -0.293 6.720 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.445 -1.127 5.440 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.005 -1.059 4.560 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.334 -1.614 4.819 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.642 -0.101 3.933 1.00 0.00 H new ATOM 666 N VAL A 47 4.916 1.979 4.300 1.00 0.00 N ATOM 667 CA VAL A 47 3.500 2.300 4.246 1.00 0.00 C ATOM 668 C VAL A 47 2.685 1.057 4.611 1.00 0.00 C ATOM 669 O VAL A 47 2.657 0.086 3.856 1.00 0.00 O ATOM 670 CB VAL A 47 3.144 2.866 2.870 1.00 0.00 C ATOM 671 CG1 VAL A 47 1.627 2.991 2.705 1.00 0.00 C ATOM 672 CG2 VAL A 47 3.833 4.211 2.635 1.00 0.00 C ATOM 0 H VAL A 47 5.351 1.818 3.392 1.00 0.00 H new ATOM 0 HA VAL A 47 3.256 3.074 4.974 1.00 0.00 H new ATOM 0 HB VAL A 47 3.507 2.168 2.116 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.400 3.396 1.719 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.168 2.008 2.808 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.232 3.659 3.471 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.563 4.591 1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.514 4.921 3.398 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.914 4.081 2.690 1.00 0.00 H new ATOM 682 N ARG A 48 2.043 1.128 5.767 1.00 0.00 N ATOM 683 CA ARG A 48 1.230 0.020 6.241 1.00 0.00 C ATOM 684 C ARG A 48 -0.038 -0.108 5.395 1.00 0.00 C ATOM 685 O ARG A 48 -0.835 0.826 5.320 1.00 0.00 O ATOM 686 CB ARG A 48 0.839 0.212 7.708 1.00 0.00 C ATOM 687 CG ARG A 48 2.079 0.374 8.590 1.00 0.00 C ATOM 688 CD ARG A 48 1.746 0.109 10.059 1.00 0.00 C ATOM 689 NE ARG A 48 2.883 -0.565 10.724 1.00 0.00 N ATOM 690 CZ ARG A 48 2.921 -0.862 12.030 1.00 0.00 C ATOM 691 NH1 ARG A 48 1.886 -0.547 12.819 1.00 0.00 N ATOM 692 NH2 ARG A 48 3.996 -1.474 12.546 1.00 0.00 N ATOM 0 H ARG A 48 2.069 1.935 6.390 1.00 0.00 H new ATOM 0 HA ARG A 48 1.824 -0.889 6.151 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.201 1.091 7.806 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.256 -0.644 8.048 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.857 -0.315 8.260 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.478 1.382 8.480 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.524 1.049 10.565 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.853 -0.511 10.131 1.00 0.00 H new ATOM 0 HE ARG A 48 3.688 -0.820 10.152 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.068 -0.081 12.426 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.915 -0.773 13.813 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.784 -1.713 11.945 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.026 -1.700 13.540 1.00 0.00 H new ATOM 706 N LEU A 49 -0.185 -1.271 4.778 1.00 0.00 N ATOM 707 CA LEU A 49 -1.342 -1.533 3.941 1.00 0.00 C ATOM 708 C LEU A 49 -1.935 -2.895 4.309 1.00 0.00 C ATOM 709 O LEU A 49 -1.207 -3.814 4.677 1.00 0.00 O ATOM 710 CB LEU A 49 -0.973 -1.404 2.461 1.00 0.00 C ATOM 711 CG LEU A 49 -0.032 -0.252 2.103 1.00 0.00 C ATOM 712 CD1 LEU A 49 0.969 -0.676 1.027 1.00 0.00 C ATOM 713 CD2 LEU A 49 -0.821 0.994 1.694 1.00 0.00 C ATOM 0 H LEU A 49 0.479 -2.043 4.841 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.117 -0.788 4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.511 -2.338 2.139 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.892 -1.288 1.886 1.00 0.00 H new ATOM 0 HG LEU A 49 0.542 0.009 2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.626 0.161 0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.564 -1.512 1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.431 -0.979 0.129 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.128 1.798 1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.439 0.765 0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.459 1.308 2.520 1.00 0.00 H new ATOM 725 N LYS A 50 -3.253 -2.980 4.196 1.00 0.00 N ATOM 726 CA LYS A 50 -3.953 -4.214 4.514 1.00 0.00 C ATOM 727 C LYS A 50 -4.451 -4.858 3.219 1.00 0.00 C ATOM 728 O LYS A 50 -5.657 -4.935 2.983 1.00 0.00 O ATOM 729 CB LYS A 50 -5.060 -3.954 5.537 1.00 0.00 C ATOM 730 CG LYS A 50 -5.836 -5.236 5.843 1.00 0.00 C ATOM 731 CD LYS A 50 -6.819 -5.020 6.994 1.00 0.00 C ATOM 732 CE LYS A 50 -8.119 -4.384 6.494 1.00 0.00 C ATOM 733 NZ LYS A 50 -9.130 -4.352 7.574 1.00 0.00 N ATOM 0 H LYS A 50 -3.854 -2.215 3.889 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.276 -4.926 4.986 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.626 -3.560 6.456 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.742 -3.194 5.155 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.377 -5.559 4.954 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.140 -6.034 6.100 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.038 -5.974 7.474 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.364 -4.380 7.750 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.923 -3.371 6.141 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.504 -4.949 5.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.005 -3.918 7.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.329 -5.322 7.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.767 -3.794 8.373 1.00 0.00 H new ATOM 747 N LEU A 51 -3.500 -5.307 2.414 1.00 0.00 N ATOM 748 CA LEU A 51 -3.828 -5.943 1.150 1.00 0.00 C ATOM 749 C LEU A 51 -3.786 -7.463 1.322 1.00 0.00 C ATOM 750 O LEU A 51 -3.024 -7.978 2.140 1.00 0.00 O ATOM 751 CB LEU A 51 -2.913 -5.426 0.037 1.00 0.00 C ATOM 752 CG LEU A 51 -1.558 -6.124 -0.097 1.00 0.00 C ATOM 753 CD1 LEU A 51 -0.748 -6.001 1.195 1.00 0.00 C ATOM 754 CD2 LEU A 51 -1.733 -7.582 -0.527 1.00 0.00 C ATOM 0 H LEU A 51 -2.502 -5.243 2.613 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.842 -5.684 0.846 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.441 -5.517 -0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.737 -4.363 0.203 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.991 -5.622 -0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.210 -6.506 1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.578 -4.948 1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.299 -6.462 2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.755 -8.055 -0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.327 -8.112 0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.242 -7.619 -1.490 1.00 0.00 H new ATOM 988 N GLY A 68 7.138 -4.597 -8.073 1.00 0.00 N ATOM 989 CA GLY A 68 6.814 -3.526 -9.001 1.00 0.00 C ATOM 990 C GLY A 68 6.063 -2.396 -8.295 1.00 0.00 C ATOM 991 O GLY A 68 6.501 -1.247 -8.316 1.00 0.00 O ATOM 0 HA2 GLY A 68 7.730 -3.136 -9.446 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.205 -3.918 -9.816 1.00 0.00 H new ATOM 995 N ILE A 69 4.945 -2.762 -7.686 1.00 0.00 N ATOM 996 CA ILE A 69 4.129 -1.793 -6.975 1.00 0.00 C ATOM 997 C ILE A 69 4.983 -1.091 -5.918 1.00 0.00 C ATOM 998 O ILE A 69 5.168 0.124 -5.971 1.00 0.00 O ATOM 999 CB ILE A 69 2.876 -2.462 -6.407 1.00 0.00 C ATOM 1000 CG1 ILE A 69 1.887 -2.810 -7.521 1.00 0.00 C ATOM 1001 CG2 ILE A 69 2.234 -1.595 -5.322 1.00 0.00 C ATOM 1002 CD1 ILE A 69 1.194 -4.146 -7.244 1.00 0.00 C ATOM 0 H ILE A 69 4.585 -3.716 -7.670 1.00 0.00 H new ATOM 0 HA ILE A 69 3.770 -1.023 -7.658 1.00 0.00 H new ATOM 0 HB ILE A 69 3.174 -3.399 -5.936 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.140 -2.021 -7.609 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.412 -2.860 -8.475 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.345 -2.094 -4.936 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.946 -1.441 -4.511 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.953 -0.631 -5.746 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.497 -4.368 -8.052 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.941 -4.937 -7.181 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.650 -4.085 -6.301 1.00 0.00 H new ATOM 1014 N GLN A 70 5.480 -1.885 -4.982 1.00 0.00 N ATOM 1015 CA GLN A 70 6.311 -1.356 -3.914 1.00 0.00 C ATOM 1016 C GLN A 70 7.278 -0.305 -4.465 1.00 0.00 C ATOM 1017 O GLN A 70 7.314 0.825 -3.980 1.00 0.00 O ATOM 1018 CB GLN A 70 7.069 -2.476 -3.200 1.00 0.00 C ATOM 1019 CG GLN A 70 7.708 -1.969 -1.906 1.00 0.00 C ATOM 1020 CD GLN A 70 9.078 -2.614 -1.682 1.00 0.00 C ATOM 1021 OE1 GLN A 70 10.117 -1.992 -1.829 1.00 0.00 O ATOM 1022 NE2 GLN A 70 9.020 -3.892 -1.319 1.00 0.00 N ATOM 0 H GLN A 70 5.323 -2.892 -4.941 1.00 0.00 H new ATOM 0 HA GLN A 70 5.662 -0.877 -3.180 1.00 0.00 H new ATOM 0 HB2 GLN A 70 6.387 -3.296 -2.976 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.841 -2.875 -3.859 1.00 0.00 H new ATOM 0 HG2 GLN A 70 7.815 -0.885 -1.949 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.055 -2.191 -1.062 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.116 -4.352 -1.214 1.00 0.00 H new ATOM 0 HE22 GLN A 70 9.880 -4.412 -1.145 1.00 0.00 H new ATOM 1031 N ASN A 71 8.037 -0.716 -5.470 1.00 0.00 N ATOM 1032 CA ASN A 71 9.002 0.176 -6.092 1.00 0.00 C ATOM 1033 C ASN A 71 8.306 1.482 -6.479 1.00 0.00 C ATOM 1034 O ASN A 71 8.693 2.556 -6.019 1.00 0.00 O ATOM 1035 CB ASN A 71 9.584 -0.445 -7.363 1.00 0.00 C ATOM 1036 CG ASN A 71 10.884 -1.194 -7.061 1.00 0.00 C ATOM 1037 OD1 ASN A 71 11.952 -0.617 -6.949 1.00 0.00 O ATOM 1038 ND2 ASN A 71 10.732 -2.510 -6.937 1.00 0.00 N ATOM 0 H ASN A 71 8.004 -1.654 -5.869 1.00 0.00 H new ATOM 0 HA ASN A 71 9.806 0.356 -5.378 1.00 0.00 H new ATOM 0 HB2 ASN A 71 8.859 -1.130 -7.802 1.00 0.00 H new ATOM 0 HB3 ASN A 71 9.772 0.335 -8.100 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.539 -3.100 -6.736 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.808 -2.929 -7.043 1.00 0.00 H new ATOM 1045 N MET A 72 7.292 1.348 -7.321 1.00 0.00 N ATOM 1046 CA MET A 72 6.540 2.505 -7.775 1.00 0.00 C ATOM 1047 C MET A 72 6.337 3.509 -6.639 1.00 0.00 C ATOM 1048 O MET A 72 6.525 4.711 -6.826 1.00 0.00 O ATOM 1049 CB MET A 72 5.177 2.052 -8.304 1.00 0.00 C ATOM 1050 CG MET A 72 4.407 3.225 -8.914 1.00 0.00 C ATOM 1051 SD MET A 72 3.147 2.618 -10.023 1.00 0.00 S ATOM 1052 CE MET A 72 2.236 1.563 -8.908 1.00 0.00 C ATOM 0 H MET A 72 6.974 0.456 -7.700 1.00 0.00 H new ATOM 0 HA MET A 72 7.106 2.993 -8.569 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.315 1.274 -9.054 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.596 1.614 -7.493 1.00 0.00 H new ATOM 0 HG2 MET A 72 3.951 3.821 -8.124 1.00 0.00 H new ATOM 0 HG3 MET A 72 5.092 3.880 -9.452 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.176 1.598 -9.158 1.00 0.00 H new ATOM 0 HE2 MET A 72 2.597 0.539 -9.000 1.00 0.00 H new ATOM 0 HE3 MET A 72 2.379 1.907 -7.884 1.00 0.00 H new ATOM 1062 N LEU A 73 5.958 2.980 -5.485 1.00 0.00 N ATOM 1063 CA LEU A 73 5.728 3.815 -4.318 1.00 0.00 C ATOM 1064 C LEU A 73 6.996 4.616 -4.012 1.00 0.00 C ATOM 1065 O LEU A 73 6.952 5.841 -3.913 1.00 0.00 O ATOM 1066 CB LEU A 73 5.237 2.969 -3.143 1.00 0.00 C ATOM 1067 CG LEU A 73 3.861 3.335 -2.580 1.00 0.00 C ATOM 1068 CD1 LEU A 73 3.569 2.558 -1.296 1.00 0.00 C ATOM 1069 CD2 LEU A 73 3.737 4.847 -2.377 1.00 0.00 C ATOM 0 H LEU A 73 5.804 1.983 -5.333 1.00 0.00 H new ATOM 0 HA LEU A 73 4.935 4.536 -4.515 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.213 1.926 -3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.968 3.042 -2.338 1.00 0.00 H new ATOM 0 HG LEU A 73 3.105 3.045 -3.310 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.586 2.837 -0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.587 1.489 -1.506 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.326 2.794 -0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.751 5.081 -1.976 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.502 5.184 -1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.870 5.355 -3.332 1.00 0.00 H new ATOM 1081 N GLN A 74 8.095 3.890 -3.871 1.00 0.00 N ATOM 1082 CA GLN A 74 9.373 4.518 -3.579 1.00 0.00 C ATOM 1083 C GLN A 74 9.816 5.394 -4.753 1.00 0.00 C ATOM 1084 O GLN A 74 10.396 6.459 -4.553 1.00 0.00 O ATOM 1085 CB GLN A 74 10.436 3.468 -3.247 1.00 0.00 C ATOM 1086 CG GLN A 74 10.139 2.791 -1.907 1.00 0.00 C ATOM 1087 CD GLN A 74 9.166 1.624 -2.087 1.00 0.00 C ATOM 1088 OE1 GLN A 74 9.509 0.569 -2.595 1.00 0.00 O ATOM 1089 NE2 GLN A 74 7.937 1.871 -1.643 1.00 0.00 N ATOM 0 H GLN A 74 8.127 2.874 -3.953 1.00 0.00 H new ATOM 0 HA GLN A 74 9.251 5.155 -2.703 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.471 2.718 -4.037 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.418 3.939 -3.211 1.00 0.00 H new ATOM 0 HG2 GLN A 74 11.067 2.430 -1.464 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.716 3.518 -1.214 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.717 2.776 -1.228 1.00 0.00 H new ATOM 0 HE22 GLN A 74 7.214 1.155 -1.717 1.00 0.00 H new ATOM 1098 N PHE A 75 9.525 4.911 -5.953 1.00 0.00 N ATOM 1099 CA PHE A 75 9.885 5.637 -7.159 1.00 0.00 C ATOM 1100 C PHE A 75 9.278 7.041 -7.156 1.00 0.00 C ATOM 1101 O PHE A 75 9.997 8.033 -7.263 1.00 0.00 O ATOM 1102 CB PHE A 75 9.317 4.850 -8.341 1.00 0.00 C ATOM 1103 CG PHE A 75 9.247 5.649 -9.643 1.00 0.00 C ATOM 1104 CD1 PHE A 75 8.136 6.376 -9.935 1.00 0.00 C ATOM 1105 CD2 PHE A 75 10.295 5.630 -10.510 1.00 0.00 C ATOM 1106 CE1 PHE A 75 8.070 7.118 -11.145 1.00 0.00 C ATOM 1107 CE2 PHE A 75 10.229 6.372 -11.719 1.00 0.00 C ATOM 1108 CZ PHE A 75 9.118 7.100 -12.012 1.00 0.00 C ATOM 0 H PHE A 75 9.044 4.026 -6.115 1.00 0.00 H new ATOM 0 HA PHE A 75 10.968 5.740 -7.222 1.00 0.00 H new ATOM 0 HB2 PHE A 75 9.931 3.964 -8.503 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.316 4.502 -8.086 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.303 6.390 -9.247 1.00 0.00 H new ATOM 0 HD2 PHE A 75 11.177 5.051 -10.279 1.00 0.00 H new ATOM 0 HE1 PHE A 75 7.188 7.696 -11.376 1.00 0.00 H new ATOM 0 HE2 PHE A 75 11.062 6.358 -12.407 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.068 7.663 -12.932 1.00 0.00 H new ATOM 1118 N TYR A 76 7.959 7.080 -7.032 1.00 0.00 N ATOM 1119 CA TYR A 76 7.247 8.345 -7.014 1.00 0.00 C ATOM 1120 C TYR A 76 7.495 9.096 -5.704 1.00 0.00 C ATOM 1121 O TYR A 76 7.939 10.243 -5.716 1.00 0.00 O ATOM 1122 CB TYR A 76 5.761 7.995 -7.112 1.00 0.00 C ATOM 1123 CG TYR A 76 5.280 7.717 -8.539 1.00 0.00 C ATOM 1124 CD1 TYR A 76 5.438 8.677 -9.519 1.00 0.00 C ATOM 1125 CD2 TYR A 76 4.689 6.509 -8.845 1.00 0.00 C ATOM 1126 CE1 TYR A 76 4.986 8.416 -10.860 1.00 0.00 C ATOM 1127 CE2 TYR A 76 4.238 6.248 -10.187 1.00 0.00 C ATOM 1128 CZ TYR A 76 4.408 7.214 -11.129 1.00 0.00 C ATOM 1129 OH TYR A 76 3.981 6.968 -12.397 1.00 0.00 O ATOM 0 H TYR A 76 7.366 6.255 -6.943 1.00 0.00 H new ATOM 0 HA TYR A 76 7.581 8.984 -7.831 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.563 7.118 -6.495 1.00 0.00 H new ATOM 0 HB3 TYR A 76 5.177 8.816 -6.696 1.00 0.00 H new ATOM 0 HD1 TYR A 76 5.900 9.623 -9.279 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.565 5.759 -8.078 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.103 9.158 -11.636 1.00 0.00 H new ATOM 0 HE2 TYR A 76 3.775 5.306 -10.440 1.00 0.00 H new ATOM 0 HH TYR A 76 3.590 6.070 -12.442 1.00 0.00 H new ATOM 1139 N ILE A 77 7.196 8.419 -4.605 1.00 0.00 N ATOM 1140 CA ILE A 77 7.381 9.007 -3.290 1.00 0.00 C ATOM 1141 C ILE A 77 8.670 8.464 -2.669 1.00 0.00 C ATOM 1142 O ILE A 77 8.766 7.275 -2.372 1.00 0.00 O ATOM 1143 CB ILE A 77 6.140 8.784 -2.423 1.00 0.00 C ATOM 1144 CG1 ILE A 77 4.883 9.308 -3.119 1.00 0.00 C ATOM 1145 CG2 ILE A 77 6.324 9.397 -1.034 1.00 0.00 C ATOM 1146 CD1 ILE A 77 4.852 10.837 -3.117 1.00 0.00 C ATOM 0 H ILE A 77 6.827 7.468 -4.599 1.00 0.00 H new ATOM 0 HA ILE A 77 7.496 10.088 -3.370 1.00 0.00 H new ATOM 0 HB ILE A 77 6.008 7.711 -2.286 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.852 8.941 -4.145 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.997 8.922 -2.615 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.428 9.224 -0.438 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.181 8.935 -0.543 1.00 0.00 H new ATOM 0 HG23 ILE A 77 6.495 10.469 -1.129 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.948 11.183 -3.618 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.859 11.200 -2.089 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.727 11.219 -3.642 1.00 0.00 H new ATOM 1158 N PRO A 78 9.653 9.385 -2.489 1.00 0.00 N ATOM 1159 CA PRO A 78 10.933 9.012 -1.911 1.00 0.00 C ATOM 1160 C PRO A 78 10.809 8.797 -0.401 1.00 0.00 C ATOM 1161 O PRO A 78 11.719 8.262 0.231 1.00 0.00 O ATOM 1162 CB PRO A 78 11.876 10.146 -2.274 1.00 0.00 C ATOM 1163 CG PRO A 78 10.990 11.325 -2.639 1.00 0.00 C ATOM 1164 CD PRO A 78 9.575 10.803 -2.831 1.00 0.00 C ATOM 0 HA PRO A 78 11.308 8.064 -2.296 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.530 10.393 -1.437 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.519 9.867 -3.109 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.015 12.079 -1.853 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.347 11.803 -3.551 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.869 11.327 -2.187 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.237 10.945 -3.857 1.00 0.00 H new ATOM 1172 N GLU A 79 9.676 9.226 0.135 1.00 0.00 N ATOM 1173 CA GLU A 79 9.423 9.089 1.559 1.00 0.00 C ATOM 1174 C GLU A 79 9.321 7.610 1.939 1.00 0.00 C ATOM 1175 O GLU A 79 10.128 7.109 2.720 1.00 0.00 O ATOM 1176 CB GLU A 79 8.158 9.847 1.966 1.00 0.00 C ATOM 1177 CG GLU A 79 8.263 11.328 1.595 1.00 0.00 C ATOM 1178 CD GLU A 79 8.186 12.213 2.841 1.00 0.00 C ATOM 1179 OE1 GLU A 79 8.595 11.718 3.913 1.00 0.00 O ATOM 1180 OE2 GLU A 79 7.720 13.363 2.693 1.00 0.00 O ATOM 0 H GLU A 79 8.923 9.669 -0.391 1.00 0.00 H new ATOM 0 HA GLU A 79 10.261 9.528 2.101 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.291 9.406 1.474 1.00 0.00 H new ATOM 0 HB3 GLU A 79 8.000 9.748 3.040 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.202 11.510 1.073 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.460 11.592 0.907 1.00 0.00 H new ATOM 1187 N VAL A 80 8.321 6.953 1.369 1.00 0.00 N ATOM 1188 CA VAL A 80 8.104 5.541 1.638 1.00 0.00 C ATOM 1189 C VAL A 80 9.328 4.744 1.181 1.00 0.00 C ATOM 1190 O VAL A 80 10.031 5.156 0.260 1.00 0.00 O ATOM 1191 CB VAL A 80 6.806 5.076 0.976 1.00 0.00 C ATOM 1192 CG1 VAL A 80 6.703 5.602 -0.458 1.00 0.00 C ATOM 1193 CG2 VAL A 80 6.688 3.551 1.010 1.00 0.00 C ATOM 0 H VAL A 80 7.652 7.372 0.722 1.00 0.00 H new ATOM 0 HA VAL A 80 7.987 5.370 2.708 1.00 0.00 H new ATOM 0 HB VAL A 80 5.973 5.489 1.545 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.771 5.257 -0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.719 6.692 -0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.545 5.232 -1.043 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.756 3.247 0.533 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.530 3.109 0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.694 3.209 2.045 1.00 0.00 H new ATOM 1203 N GLU A 81 9.544 3.620 1.847 1.00 0.00 N ATOM 1204 CA GLU A 81 10.670 2.762 1.520 1.00 0.00 C ATOM 1205 C GLU A 81 10.176 1.388 1.061 1.00 0.00 C ATOM 1206 O GLU A 81 10.614 0.879 0.031 1.00 0.00 O ATOM 1207 CB GLU A 81 11.624 2.632 2.710 1.00 0.00 C ATOM 1208 CG GLU A 81 12.616 3.796 2.746 1.00 0.00 C ATOM 1209 CD GLU A 81 14.052 3.288 2.891 1.00 0.00 C ATOM 1210 OE1 GLU A 81 14.542 2.685 1.911 1.00 0.00 O ATOM 1211 OE2 GLU A 81 14.627 3.515 3.977 1.00 0.00 O ATOM 0 H GLU A 81 8.959 3.283 2.611 1.00 0.00 H new ATOM 0 HA GLU A 81 11.224 3.220 0.700 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.053 2.607 3.638 1.00 0.00 H new ATOM 0 HB3 GLU A 81 12.166 1.689 2.645 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.525 4.384 1.833 1.00 0.00 H new ATOM 0 HG3 GLU A 81 12.375 4.458 3.577 1.00 0.00 H new ATOM 1218 N GLY A 82 9.271 0.827 1.849 1.00 0.00 N ATOM 1219 CA GLY A 82 8.712 -0.477 1.538 1.00 0.00 C ATOM 1220 C GLY A 82 7.232 -0.546 1.920 1.00 0.00 C ATOM 1221 O GLY A 82 6.656 0.445 2.365 1.00 0.00 O ATOM 0 H GLY A 82 8.911 1.252 2.703 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.826 -0.681 0.473 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.265 -1.250 2.071 1.00 0.00 H new ATOM 1225 N VAL A 83 6.659 -1.726 1.733 1.00 0.00 N ATOM 1226 CA VAL A 83 5.258 -1.937 2.052 1.00 0.00 C ATOM 1227 C VAL A 83 5.139 -3.058 3.087 1.00 0.00 C ATOM 1228 O VAL A 83 6.084 -3.817 3.298 1.00 0.00 O ATOM 1229 CB VAL A 83 4.466 -2.218 0.775 1.00 0.00 C ATOM 1230 CG1 VAL A 83 4.665 -1.099 -0.251 1.00 0.00 C ATOM 1231 CG2 VAL A 83 4.843 -3.578 0.183 1.00 0.00 C ATOM 0 H VAL A 83 7.140 -2.546 1.364 1.00 0.00 H new ATOM 0 HA VAL A 83 4.828 -1.038 2.494 1.00 0.00 H new ATOM 0 HB VAL A 83 3.408 -2.249 1.037 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.091 -1.323 -1.150 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.324 -0.154 0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.722 -1.022 -0.505 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.265 -3.753 -0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.906 -3.588 -0.056 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.627 -4.363 0.908 1.00 0.00 H new ATOM 1241 N GLU A 84 3.969 -3.126 3.706 1.00 0.00 N ATOM 1242 CA GLU A 84 3.714 -4.142 4.714 1.00 0.00 C ATOM 1243 C GLU A 84 2.234 -4.530 4.715 1.00 0.00 C ATOM 1244 O GLU A 84 1.364 -3.668 4.591 1.00 0.00 O ATOM 1245 CB GLU A 84 4.156 -3.663 6.098 1.00 0.00 C ATOM 1246 CG GLU A 84 5.499 -4.284 6.491 1.00 0.00 C ATOM 1247 CD GLU A 84 5.362 -5.127 7.761 1.00 0.00 C ATOM 1248 OE1 GLU A 84 5.324 -4.513 8.848 1.00 0.00 O ATOM 1249 OE2 GLU A 84 5.299 -6.367 7.614 1.00 0.00 O ATOM 0 H GLU A 84 3.188 -2.495 3.529 1.00 0.00 H new ATOM 0 HA GLU A 84 4.301 -5.027 4.467 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.239 -2.576 6.101 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.399 -3.927 6.837 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.869 -4.906 5.676 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.235 -3.496 6.651 1.00 0.00 H new ATOM 1256 N GLN A 85 1.994 -5.825 4.855 1.00 0.00 N ATOM 1257 CA GLN A 85 0.635 -6.336 4.874 1.00 0.00 C ATOM 1258 C GLN A 85 0.130 -6.452 6.314 1.00 0.00 C ATOM 1259 O GLN A 85 0.194 -7.524 6.914 1.00 0.00 O ATOM 1260 CB GLN A 85 0.544 -7.682 4.152 1.00 0.00 C ATOM 1261 CG GLN A 85 -0.906 -8.021 3.801 1.00 0.00 C ATOM 1262 CD GLN A 85 -1.455 -9.104 4.731 1.00 0.00 C ATOM 1263 OE1 GLN A 85 -0.746 -9.692 5.531 1.00 0.00 O ATOM 1264 NE2 GLN A 85 -2.757 -9.336 4.581 1.00 0.00 N ATOM 0 H GLN A 85 2.718 -6.536 4.956 1.00 0.00 H new ATOM 0 HA GLN A 85 -0.003 -5.631 4.341 1.00 0.00 H new ATOM 0 HB2 GLN A 85 1.144 -7.652 3.243 1.00 0.00 H new ATOM 0 HB3 GLN A 85 0.962 -8.466 4.784 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -1.522 -7.125 3.877 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -0.964 -8.361 2.767 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -3.293 -8.808 3.892 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -3.219 -10.042 5.155 1.00 0.00 H new ATOM 1273 N VAL A 86 -0.360 -5.333 6.828 1.00 0.00 N ATOM 1274 CA VAL A 86 -0.875 -5.295 8.185 1.00 0.00 C ATOM 1275 C VAL A 86 -2.095 -6.213 8.290 1.00 0.00 C ATOM 1276 O VAL A 86 -2.924 -6.255 7.382 1.00 0.00 O ATOM 1277 CB VAL A 86 -1.178 -3.851 8.591 1.00 0.00 C ATOM 1278 CG1 VAL A 86 0.089 -2.994 8.552 1.00 0.00 C ATOM 1279 CG2 VAL A 86 -2.272 -3.251 7.706 1.00 0.00 C ATOM 0 H VAL A 86 -0.411 -4.445 6.328 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.127 -5.666 8.886 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.545 -3.861 9.617 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.154 -1.972 8.845 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.827 -3.404 9.242 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.498 -2.995 7.542 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.468 -2.224 8.016 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.945 -3.260 6.666 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.184 -3.840 7.805 1.00 0.00 H new