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 Single : A 17 MET CE :methyl -147:sc= -0.597 (180deg=-1.99!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 125:sc= -4.33! USER MOD Single : A 29 THR OG1 : rot 171:sc= 0.979 USER MOD Single : A 31 GLN : amide:sc= -1.1 X(o=-1.1,f=-0.69) USER MOD Single : A 39 TYR OH : rot -72:sc= -4.28! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.766 X(o=-0.77,f=-0.77) USER MOD Single : A 71 ASN : amide:sc= -0.246 K(o=-0.25,f=-2.6!) USER MOD Single : A 72 MET CE :methyl -145:sc= -0.093 (180deg=-0.543) USER MOD Single : A 74 GLN : amide:sc= -3.83! C(o=-3.8!,f=-4.4!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 107 N ASP A 11 -4.317 14.824 8.048 1.00 0.00 N ATOM 108 CA ASP A 11 -3.324 14.114 7.260 1.00 0.00 C ATOM 109 C ASP A 11 -2.220 15.088 6.840 1.00 0.00 C ATOM 110 O ASP A 11 -2.418 16.302 6.861 1.00 0.00 O ATOM 111 CB ASP A 11 -3.945 13.528 5.991 1.00 0.00 C ATOM 112 CG ASP A 11 -4.511 12.115 6.142 1.00 0.00 C ATOM 113 OD1 ASP A 11 -4.407 11.578 7.267 1.00 0.00 O ATOM 114 OD2 ASP A 11 -5.036 11.602 5.130 1.00 0.00 O ATOM 0 HA ASP A 11 -2.923 13.306 7.872 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.744 14.190 5.657 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.189 13.519 5.206 1.00 0.00 H new ATOM 119 N ASP A 12 -1.084 14.519 6.468 1.00 0.00 N ATOM 120 CA ASP A 12 0.051 15.321 6.043 1.00 0.00 C ATOM 121 C ASP A 12 0.083 15.383 4.514 1.00 0.00 C ATOM 122 O ASP A 12 -0.775 14.805 3.849 1.00 0.00 O ATOM 123 CB ASP A 12 1.369 14.707 6.520 1.00 0.00 C ATOM 124 CG ASP A 12 2.529 15.693 6.661 1.00 0.00 C ATOM 125 OD1 ASP A 12 2.286 16.774 7.241 1.00 0.00 O ATOM 126 OD2 ASP A 12 3.631 15.346 6.187 1.00 0.00 O ATOM 0 H ASP A 12 -0.924 13.512 6.452 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.059 16.316 6.474 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.201 14.227 7.484 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.661 13.923 5.821 1.00 0.00 H new ATOM 131 N GLU A 13 1.082 16.087 4.003 1.00 0.00 N ATOM 132 CA GLU A 13 1.237 16.233 2.567 1.00 0.00 C ATOM 133 C GLU A 13 1.834 14.959 1.966 1.00 0.00 C ATOM 134 O GLU A 13 1.719 14.721 0.765 1.00 0.00 O ATOM 135 CB GLU A 13 2.095 17.453 2.228 1.00 0.00 C ATOM 136 CG GLU A 13 1.299 18.748 2.402 1.00 0.00 C ATOM 137 CD GLU A 13 1.905 19.880 1.568 1.00 0.00 C ATOM 138 OE1 GLU A 13 2.937 20.424 2.016 1.00 0.00 O ATOM 139 OE2 GLU A 13 1.321 20.175 0.504 1.00 0.00 O ATOM 0 H GLU A 13 1.793 16.563 4.559 1.00 0.00 H new ATOM 0 HA GLU A 13 0.251 16.391 2.130 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.975 17.473 2.871 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.453 17.377 1.201 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.263 18.586 2.103 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.286 19.033 3.454 1.00 0.00 H new ATOM 146 N VAL A 14 2.460 14.172 2.830 1.00 0.00 N ATOM 147 CA VAL A 14 3.076 12.929 2.399 1.00 0.00 C ATOM 148 C VAL A 14 2.008 11.835 2.323 1.00 0.00 C ATOM 149 O VAL A 14 2.063 10.970 1.451 1.00 0.00 O ATOM 150 CB VAL A 14 4.234 12.568 3.332 1.00 0.00 C ATOM 151 CG1 VAL A 14 3.717 12.016 4.662 1.00 0.00 C ATOM 152 CG2 VAL A 14 5.190 11.578 2.663 1.00 0.00 C ATOM 0 H VAL A 14 2.553 14.372 3.826 1.00 0.00 H new ATOM 0 HA VAL A 14 3.501 13.040 1.401 1.00 0.00 H new ATOM 0 HB VAL A 14 4.790 13.482 3.542 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.561 11.768 5.306 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.096 12.767 5.151 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.125 11.120 4.478 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.004 11.338 3.348 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.650 10.666 2.408 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.599 12.023 1.756 1.00 0.00 H new ATOM 162 N VAL A 15 1.062 11.911 3.247 1.00 0.00 N ATOM 163 CA VAL A 15 -0.016 10.939 3.295 1.00 0.00 C ATOM 164 C VAL A 15 -0.941 11.148 2.094 1.00 0.00 C ATOM 165 O VAL A 15 -1.226 10.208 1.354 1.00 0.00 O ATOM 166 CB VAL A 15 -0.748 11.035 4.636 1.00 0.00 C ATOM 167 CG1 VAL A 15 -2.092 10.306 4.580 1.00 0.00 C ATOM 168 CG2 VAL A 15 0.121 10.498 5.775 1.00 0.00 C ATOM 0 H VAL A 15 1.020 12.631 3.968 1.00 0.00 H new ATOM 0 HA VAL A 15 0.381 9.926 3.227 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.946 12.088 4.835 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.592 10.389 5.545 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.717 10.754 3.808 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.926 9.254 4.347 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.423 10.578 6.716 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.365 9.453 5.585 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.040 11.080 5.837 1.00 0.00 H new ATOM 178 N ALA A 16 -1.383 12.387 1.937 1.00 0.00 N ATOM 179 CA ALA A 16 -2.268 12.733 0.837 1.00 0.00 C ATOM 180 C ALA A 16 -1.637 12.280 -0.480 1.00 0.00 C ATOM 181 O ALA A 16 -2.336 11.811 -1.379 1.00 0.00 O ATOM 182 CB ALA A 16 -2.552 14.236 0.863 1.00 0.00 C ATOM 0 H ALA A 16 -1.145 13.164 2.553 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.225 12.220 0.937 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.216 14.495 0.038 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.027 14.500 1.808 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.616 14.785 0.762 1.00 0.00 H new ATOM 188 N MET A 17 -0.324 12.436 -0.556 1.00 0.00 N ATOM 189 CA MET A 17 0.408 12.050 -1.750 1.00 0.00 C ATOM 190 C MET A 17 0.315 10.541 -1.986 1.00 0.00 C ATOM 191 O MET A 17 -0.088 10.101 -3.060 1.00 0.00 O ATOM 192 CB MET A 17 1.877 12.454 -1.601 1.00 0.00 C ATOM 193 CG MET A 17 2.432 12.997 -2.919 1.00 0.00 C ATOM 194 SD MET A 17 4.181 13.313 -2.761 1.00 0.00 S ATOM 195 CE MET A 17 4.171 14.415 -1.357 1.00 0.00 C ATOM 0 H MET A 17 0.252 12.825 0.190 1.00 0.00 H new ATOM 0 HA MET A 17 -0.034 12.561 -2.606 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.973 13.211 -0.823 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.464 11.593 -1.282 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.255 12.280 -3.721 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.911 13.915 -3.192 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.979 15.139 -1.457 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.217 14.940 -1.313 1.00 0.00 H new ATOM 0 HE3 MET A 17 4.311 13.840 -0.442 1.00 0.00 H new ATOM 205 N ILE A 18 0.696 9.790 -0.962 1.00 0.00 N ATOM 206 CA ILE A 18 0.660 8.340 -1.044 1.00 0.00 C ATOM 207 C ILE A 18 -0.764 7.886 -1.372 1.00 0.00 C ATOM 208 O ILE A 18 -0.974 7.114 -2.306 1.00 0.00 O ATOM 209 CB ILE A 18 1.225 7.716 0.233 1.00 0.00 C ATOM 210 CG1 ILE A 18 2.677 8.142 0.456 1.00 0.00 C ATOM 211 CG2 ILE A 18 1.071 6.194 0.215 1.00 0.00 C ATOM 212 CD1 ILE A 18 3.041 8.094 1.941 1.00 0.00 C ATOM 0 H ILE A 18 1.031 10.159 -0.072 1.00 0.00 H new ATOM 0 HA ILE A 18 1.301 7.989 -1.853 1.00 0.00 H new ATOM 0 HB ILE A 18 0.647 8.088 1.079 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.342 7.487 -0.106 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.826 9.152 0.074 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.481 5.776 1.134 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.015 5.936 0.138 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.608 5.784 -0.641 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.079 8.402 2.071 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.390 8.768 2.497 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.914 7.078 2.314 1.00 0.00 H new ATOM 224 N LYS A 19 -1.706 8.385 -0.585 1.00 0.00 N ATOM 225 CA LYS A 19 -3.104 8.042 -0.780 1.00 0.00 C ATOM 226 C LYS A 19 -3.426 8.061 -2.275 1.00 0.00 C ATOM 227 O LYS A 19 -3.909 7.072 -2.823 1.00 0.00 O ATOM 228 CB LYS A 19 -4.002 8.957 0.055 1.00 0.00 C ATOM 229 CG LYS A 19 -4.181 8.406 1.471 1.00 0.00 C ATOM 230 CD LYS A 19 -5.352 9.089 2.180 1.00 0.00 C ATOM 231 CE LYS A 19 -5.834 8.255 3.369 1.00 0.00 C ATOM 232 NZ LYS A 19 -6.945 8.940 4.067 1.00 0.00 N ATOM 0 H LYS A 19 -1.528 9.025 0.189 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.301 7.031 -0.425 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.567 9.955 0.102 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.975 9.055 -0.426 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.354 7.331 1.428 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.266 8.558 2.043 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.047 10.077 2.524 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.172 9.235 1.477 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.163 7.275 3.024 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.009 8.088 4.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.260 8.360 4.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.619 9.865 4.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.737 9.077 3.408 1.00 0.00 H new ATOM 246 N GLU A 20 -3.145 9.200 -2.894 1.00 0.00 N ATOM 247 CA GLU A 20 -3.399 9.362 -4.315 1.00 0.00 C ATOM 248 C GLU A 20 -2.782 8.201 -5.100 1.00 0.00 C ATOM 249 O GLU A 20 -3.500 7.382 -5.670 1.00 0.00 O ATOM 250 CB GLU A 20 -2.869 10.706 -4.817 1.00 0.00 C ATOM 251 CG GLU A 20 -3.858 11.357 -5.788 1.00 0.00 C ATOM 252 CD GLU A 20 -3.495 11.031 -7.239 1.00 0.00 C ATOM 253 OE1 GLU A 20 -2.289 11.114 -7.555 1.00 0.00 O ATOM 254 OE2 GLU A 20 -4.434 10.706 -7.998 1.00 0.00 O ATOM 0 H GLU A 20 -2.744 10.019 -2.436 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.477 9.351 -4.475 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.693 11.371 -3.971 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.909 10.560 -5.313 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.868 11.006 -5.574 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.858 12.437 -5.643 1.00 0.00 H new ATOM 261 N LEU A 21 -1.457 8.170 -5.104 1.00 0.00 N ATOM 262 CA LEU A 21 -0.736 7.125 -5.810 1.00 0.00 C ATOM 263 C LEU A 21 -1.275 5.759 -5.377 1.00 0.00 C ATOM 264 O LEU A 21 -1.107 4.769 -6.089 1.00 0.00 O ATOM 265 CB LEU A 21 0.773 7.284 -5.606 1.00 0.00 C ATOM 266 CG LEU A 21 1.603 7.484 -6.875 1.00 0.00 C ATOM 267 CD1 LEU A 21 3.085 7.658 -6.538 1.00 0.00 C ATOM 268 CD2 LEU A 21 1.371 6.345 -7.869 1.00 0.00 C ATOM 0 H LEU A 21 -0.865 8.852 -4.630 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.899 7.207 -6.885 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.943 8.135 -4.947 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.145 6.400 -5.088 1.00 0.00 H new ATOM 0 HG LEU A 21 1.272 8.403 -7.358 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.653 7.798 -7.458 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.212 8.530 -5.896 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.447 6.770 -6.020 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.973 6.513 -8.762 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.657 5.398 -7.411 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.317 6.311 -8.144 1.00 0.00 H new ATOM 280 N LEU A 22 -1.909 5.750 -4.216 1.00 0.00 N ATOM 281 CA LEU A 22 -2.473 4.523 -3.681 1.00 0.00 C ATOM 282 C LEU A 22 -3.857 4.292 -4.293 1.00 0.00 C ATOM 283 O LEU A 22 -4.269 3.151 -4.493 1.00 0.00 O ATOM 284 CB LEU A 22 -2.476 4.555 -2.150 1.00 0.00 C ATOM 285 CG LEU A 22 -1.228 3.993 -1.466 1.00 0.00 C ATOM 286 CD1 LEU A 22 -1.491 2.590 -0.914 1.00 0.00 C ATOM 287 CD2 LEU A 22 -0.025 4.020 -2.410 1.00 0.00 C ATOM 0 H LEU A 22 -2.045 6.573 -3.629 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.854 3.669 -3.958 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.609 5.588 -1.828 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.343 3.997 -1.796 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.986 4.634 -0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.588 2.213 -0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.300 2.632 -0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.772 1.925 -1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.848 3.615 -1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.241 3.417 -3.292 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.176 5.047 -2.713 1.00 0.00 H new ATOM 299 N ASP A 23 -4.535 5.395 -4.573 1.00 0.00 N ATOM 300 CA ASP A 23 -5.864 5.329 -5.158 1.00 0.00 C ATOM 301 C ASP A 23 -5.742 5.264 -6.682 1.00 0.00 C ATOM 302 O ASP A 23 -6.533 4.594 -7.344 1.00 0.00 O ATOM 303 CB ASP A 23 -6.686 6.568 -4.801 1.00 0.00 C ATOM 304 CG ASP A 23 -7.899 6.304 -3.907 1.00 0.00 C ATOM 305 OD1 ASP A 23 -8.978 6.040 -4.479 1.00 0.00 O ATOM 306 OD2 ASP A 23 -7.720 6.372 -2.672 1.00 0.00 O ATOM 0 H ASP A 23 -4.189 6.340 -4.406 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.362 4.442 -4.765 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.035 7.286 -4.302 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.029 7.036 -5.724 1.00 0.00 H new ATOM 311 N THR A 24 -4.746 5.971 -7.195 1.00 0.00 N ATOM 312 CA THR A 24 -4.510 6.003 -8.628 1.00 0.00 C ATOM 313 C THR A 24 -4.798 4.633 -9.246 1.00 0.00 C ATOM 314 O THR A 24 -5.920 4.365 -9.674 1.00 0.00 O ATOM 315 CB THR A 24 -3.078 6.486 -8.862 1.00 0.00 C ATOM 316 OG1 THR A 24 -2.327 5.862 -7.822 1.00 0.00 O ATOM 317 CG2 THR A 24 -2.913 7.983 -8.593 1.00 0.00 C ATOM 0 H THR A 24 -4.093 6.527 -6.643 1.00 0.00 H new ATOM 0 HA THR A 24 -5.187 6.698 -9.125 1.00 0.00 H new ATOM 0 HB THR A 24 -2.785 6.267 -9.889 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.587 5.353 -8.213 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.878 8.273 -8.774 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.569 8.546 -9.256 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.174 8.197 -7.557 1.00 0.00 H new ATOM 325 N ARG A 25 -3.766 3.803 -9.274 1.00 0.00 N ATOM 326 CA ARG A 25 -3.894 2.468 -9.833 1.00 0.00 C ATOM 327 C ARG A 25 -3.187 1.448 -8.938 1.00 0.00 C ATOM 328 O ARG A 25 -2.520 0.541 -9.432 1.00 0.00 O ATOM 329 CB ARG A 25 -3.299 2.400 -11.240 1.00 0.00 C ATOM 330 CG ARG A 25 -1.882 2.977 -11.264 1.00 0.00 C ATOM 331 CD ARG A 25 -0.977 2.166 -12.193 1.00 0.00 C ATOM 332 NE ARG A 25 -1.252 2.519 -13.604 1.00 0.00 N ATOM 333 CZ ARG A 25 -0.866 1.780 -14.653 1.00 0.00 C ATOM 334 NH1 ARG A 25 -0.185 0.642 -14.457 1.00 0.00 N ATOM 335 NH2 ARG A 25 -1.161 2.178 -15.898 1.00 0.00 N ATOM 0 H ARG A 25 -2.837 4.029 -8.918 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.957 2.233 -9.889 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.280 1.365 -11.581 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.932 2.953 -11.934 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.913 4.015 -11.596 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.468 2.977 -10.256 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.069 2.363 -11.958 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.144 1.100 -12.037 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.768 3.379 -13.789 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.039 0.339 -13.509 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.109 0.079 -15.256 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.679 3.044 -16.047 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.867 1.615 -16.696 1.00 0.00 H new ATOM 349 N ILE A 26 -3.358 1.631 -7.637 1.00 0.00 N ATOM 350 CA ILE A 26 -2.744 0.738 -6.668 1.00 0.00 C ATOM 351 C ILE A 26 -3.840 0.003 -5.893 1.00 0.00 C ATOM 352 O ILE A 26 -3.905 -1.224 -5.916 1.00 0.00 O ATOM 353 CB ILE A 26 -1.768 1.505 -5.776 1.00 0.00 C ATOM 354 CG1 ILE A 26 -0.500 1.880 -6.546 1.00 0.00 C ATOM 355 CG2 ILE A 26 -1.453 0.717 -4.502 1.00 0.00 C ATOM 356 CD1 ILE A 26 0.553 2.478 -5.611 1.00 0.00 C ATOM 0 H ILE A 26 -3.913 2.384 -7.231 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.147 -0.021 -7.174 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.246 2.435 -5.469 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.094 0.996 -7.038 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.745 2.597 -7.330 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.757 1.285 -3.886 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.373 0.544 -3.944 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.004 -0.240 -4.768 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.444 2.736 -6.184 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.153 3.375 -5.139 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.813 1.750 -4.843 1.00 0.00 H new ATOM 368 N ARG A 27 -4.673 0.787 -5.224 1.00 0.00 N ATOM 369 CA ARG A 27 -5.762 0.227 -4.443 1.00 0.00 C ATOM 370 C ARG A 27 -6.793 -0.430 -5.363 1.00 0.00 C ATOM 371 O ARG A 27 -7.197 -1.569 -5.136 1.00 0.00 O ATOM 372 CB ARG A 27 -6.451 1.306 -3.605 1.00 0.00 C ATOM 373 CG ARG A 27 -7.968 1.104 -3.592 1.00 0.00 C ATOM 374 CD ARG A 27 -8.654 2.162 -2.723 1.00 0.00 C ATOM 375 NE ARG A 27 -9.400 1.509 -1.625 1.00 0.00 N ATOM 376 CZ ARG A 27 -9.997 2.170 -0.625 1.00 0.00 C ATOM 377 NH1 ARG A 27 -9.940 3.508 -0.579 1.00 0.00 N ATOM 378 NH2 ARG A 27 -10.652 1.494 0.330 1.00 0.00 N ATOM 0 H ARG A 27 -4.615 1.805 -5.207 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.338 -0.522 -3.774 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.068 1.279 -2.585 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.215 2.291 -4.008 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.355 1.158 -4.610 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.203 0.109 -3.214 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.910 2.845 -2.312 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.334 2.759 -3.331 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.464 0.491 -1.630 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.442 4.023 -1.305 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.395 4.012 0.182 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.696 0.476 0.295 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -11.106 1.998 1.091 1.00 0.00 H new ATOM 392 N PRO A 28 -7.200 0.337 -6.410 1.00 0.00 N ATOM 393 CA PRO A 28 -8.176 -0.159 -7.365 1.00 0.00 C ATOM 394 C PRO A 28 -7.544 -1.180 -8.314 1.00 0.00 C ATOM 395 O PRO A 28 -8.222 -1.725 -9.185 1.00 0.00 O ATOM 396 CB PRO A 28 -8.688 1.080 -8.083 1.00 0.00 C ATOM 397 CG PRO A 28 -7.654 2.165 -7.832 1.00 0.00 C ATOM 398 CD PRO A 28 -6.743 1.691 -6.710 1.00 0.00 C ATOM 0 HA PRO A 28 -8.996 -0.695 -6.888 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -8.806 0.892 -9.150 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.665 1.376 -7.702 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.077 2.359 -8.736 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.141 3.101 -7.558 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.698 1.697 -7.019 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.821 2.338 -5.836 1.00 0.00 H new ATOM 406 N THR A 29 -6.256 -1.408 -8.113 1.00 0.00 N ATOM 407 CA THR A 29 -5.525 -2.355 -8.940 1.00 0.00 C ATOM 408 C THR A 29 -5.624 -3.763 -8.352 1.00 0.00 C ATOM 409 O THR A 29 -6.149 -4.673 -8.992 1.00 0.00 O ATOM 410 CB THR A 29 -4.087 -1.852 -9.075 1.00 0.00 C ATOM 411 OG1 THR A 29 -4.096 -1.095 -10.282 1.00 0.00 O ATOM 412 CG2 THR A 29 -3.095 -2.984 -9.353 1.00 0.00 C ATOM 0 H THR A 29 -5.698 -0.954 -7.390 1.00 0.00 H new ATOM 0 HA THR A 29 -5.956 -2.423 -9.939 1.00 0.00 H new ATOM 0 HB THR A 29 -3.797 -1.331 -8.162 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.244 -0.619 -10.376 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.089 -2.573 -9.440 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.124 -3.702 -8.534 1.00 0.00 H new ATOM 0 HG23 THR A 29 -3.365 -3.484 -10.283 1.00 0.00 H new ATOM 420 N VAL A 30 -5.111 -3.901 -7.137 1.00 0.00 N ATOM 421 CA VAL A 30 -5.135 -5.184 -6.455 1.00 0.00 C ATOM 422 C VAL A 30 -6.576 -5.693 -6.387 1.00 0.00 C ATOM 423 O VAL A 30 -6.811 -6.900 -6.369 1.00 0.00 O ATOM 424 CB VAL A 30 -4.479 -5.057 -5.079 1.00 0.00 C ATOM 425 CG1 VAL A 30 -2.955 -5.150 -5.187 1.00 0.00 C ATOM 426 CG2 VAL A 30 -4.902 -3.758 -4.388 1.00 0.00 C ATOM 0 H VAL A 30 -4.676 -3.145 -6.608 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.556 -5.923 -7.009 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.822 -5.890 -4.466 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.514 -5.057 -4.195 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.679 -6.112 -5.618 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.586 -4.347 -5.825 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.422 -3.692 -3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.601 -2.907 -4.998 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.985 -3.749 -4.261 1.00 0.00 H new ATOM 436 N GLN A 31 -7.503 -4.747 -6.349 1.00 0.00 N ATOM 437 CA GLN A 31 -8.914 -5.085 -6.282 1.00 0.00 C ATOM 438 C GLN A 31 -9.248 -6.175 -7.302 1.00 0.00 C ATOM 439 O GLN A 31 -9.799 -7.216 -6.946 1.00 0.00 O ATOM 440 CB GLN A 31 -9.786 -3.846 -6.498 1.00 0.00 C ATOM 441 CG GLN A 31 -9.984 -3.080 -5.189 1.00 0.00 C ATOM 442 CD GLN A 31 -10.873 -1.853 -5.402 1.00 0.00 C ATOM 443 OE1 GLN A 31 -11.881 -1.895 -6.088 1.00 0.00 O ATOM 444 NE2 GLN A 31 -10.446 -0.760 -4.775 1.00 0.00 N ATOM 0 H GLN A 31 -7.304 -3.747 -6.363 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.128 -5.470 -5.285 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.321 -3.194 -7.238 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -10.755 -4.144 -6.899 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.435 -3.736 -4.444 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.016 -2.769 -4.795 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.593 -0.793 -4.216 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -10.971 0.111 -4.853 1.00 0.00 H new ATOM 453 N GLU A 32 -8.900 -5.899 -8.551 1.00 0.00 N ATOM 454 CA GLU A 32 -9.155 -6.843 -9.624 1.00 0.00 C ATOM 455 C GLU A 32 -8.864 -8.272 -9.157 1.00 0.00 C ATOM 456 O GLU A 32 -9.539 -9.214 -9.570 1.00 0.00 O ATOM 457 CB GLU A 32 -8.334 -6.495 -10.867 1.00 0.00 C ATOM 458 CG GLU A 32 -9.244 -6.129 -12.042 1.00 0.00 C ATOM 459 CD GLU A 32 -8.470 -6.138 -13.361 1.00 0.00 C ATOM 460 OE1 GLU A 32 -8.416 -7.223 -13.979 1.00 0.00 O ATOM 461 OE2 GLU A 32 -7.947 -5.061 -13.720 1.00 0.00 O ATOM 0 H GLU A 32 -8.444 -5.035 -8.843 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.209 -6.778 -9.894 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.668 -5.661 -10.645 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.705 -7.342 -11.140 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.073 -6.835 -12.098 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.677 -5.142 -11.877 1.00 0.00 H new ATOM 468 N ASP A 33 -7.859 -8.386 -8.302 1.00 0.00 N ATOM 469 CA ASP A 33 -7.470 -9.683 -7.774 1.00 0.00 C ATOM 470 C ASP A 33 -8.586 -10.218 -6.875 1.00 0.00 C ATOM 471 O ASP A 33 -9.085 -11.322 -7.088 1.00 0.00 O ATOM 472 CB ASP A 33 -6.196 -9.576 -6.933 1.00 0.00 C ATOM 473 CG ASP A 33 -5.399 -10.875 -6.798 1.00 0.00 C ATOM 474 OD1 ASP A 33 -5.868 -11.752 -6.042 1.00 0.00 O ATOM 475 OD2 ASP A 33 -4.339 -10.961 -7.455 1.00 0.00 O ATOM 0 H ASP A 33 -7.302 -7.602 -7.962 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.291 -10.350 -8.617 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.551 -8.816 -7.373 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.465 -9.227 -5.936 1.00 0.00 H new ATOM 480 N GLY A 34 -8.945 -9.411 -5.888 1.00 0.00 N ATOM 481 CA GLY A 34 -9.993 -9.790 -4.954 1.00 0.00 C ATOM 482 C GLY A 34 -9.932 -8.936 -3.686 1.00 0.00 C ATOM 483 O GLY A 34 -10.928 -8.331 -3.292 1.00 0.00 O ATOM 0 H GLY A 34 -8.529 -8.496 -5.714 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.967 -9.674 -5.428 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.889 -10.843 -4.693 1.00 0.00 H new ATOM 487 N GLY A 35 -8.754 -8.916 -3.080 1.00 0.00 N ATOM 488 CA GLY A 35 -8.550 -8.148 -1.864 1.00 0.00 C ATOM 489 C GLY A 35 -8.512 -6.648 -2.164 1.00 0.00 C ATOM 490 O GLY A 35 -9.223 -6.169 -3.046 1.00 0.00 O ATOM 0 H GLY A 35 -7.930 -9.420 -3.409 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.351 -8.361 -1.156 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.617 -8.452 -1.390 1.00 0.00 H new ATOM 494 N ASP A 36 -7.674 -5.949 -1.412 1.00 0.00 N ATOM 495 CA ASP A 36 -7.534 -4.512 -1.586 1.00 0.00 C ATOM 496 C ASP A 36 -6.486 -3.984 -0.604 1.00 0.00 C ATOM 497 O ASP A 36 -6.243 -4.593 0.436 1.00 0.00 O ATOM 498 CB ASP A 36 -8.854 -3.792 -1.301 1.00 0.00 C ATOM 499 CG ASP A 36 -8.813 -2.273 -1.483 1.00 0.00 C ATOM 500 OD1 ASP A 36 -7.895 -1.811 -2.193 1.00 0.00 O ATOM 501 OD2 ASP A 36 -9.702 -1.609 -0.908 1.00 0.00 O ATOM 0 H ASP A 36 -7.086 -6.350 -0.682 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.236 -4.324 -2.617 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.623 -4.201 -1.957 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.157 -4.012 -0.278 1.00 0.00 H new ATOM 506 N VAL A 37 -5.894 -2.857 -0.971 1.00 0.00 N ATOM 507 CA VAL A 37 -4.878 -2.240 -0.135 1.00 0.00 C ATOM 508 C VAL A 37 -5.526 -1.162 0.736 1.00 0.00 C ATOM 509 O VAL A 37 -6.297 -0.340 0.242 1.00 0.00 O ATOM 510 CB VAL A 37 -3.741 -1.702 -1.005 1.00 0.00 C ATOM 511 CG1 VAL A 37 -4.132 -0.376 -1.662 1.00 0.00 C ATOM 512 CG2 VAL A 37 -2.452 -1.552 -0.193 1.00 0.00 C ATOM 0 H VAL A 37 -6.098 -2.355 -1.835 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.436 -2.977 0.535 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.555 -2.427 -1.798 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.306 -0.016 -2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.011 -0.526 -2.290 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.359 0.360 -0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.660 -1.168 -0.836 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.620 -0.858 0.631 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.158 -2.523 0.205 1.00 0.00 H new ATOM 522 N ILE A 38 -5.188 -1.198 2.017 1.00 0.00 N ATOM 523 CA ILE A 38 -5.727 -0.234 2.961 1.00 0.00 C ATOM 524 C ILE A 38 -4.579 0.392 3.754 1.00 0.00 C ATOM 525 O ILE A 38 -4.116 -0.180 4.740 1.00 0.00 O ATOM 526 CB ILE A 38 -6.798 -0.886 3.839 1.00 0.00 C ATOM 527 CG1 ILE A 38 -7.128 -2.296 3.346 1.00 0.00 C ATOM 528 CG2 ILE A 38 -8.045 -0.004 3.928 1.00 0.00 C ATOM 529 CD1 ILE A 38 -7.875 -2.250 2.011 1.00 0.00 C ATOM 0 H ILE A 38 -4.547 -1.880 2.423 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.230 0.577 2.434 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.399 -0.983 4.849 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.208 -2.870 3.232 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.736 -2.812 4.089 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.790 -0.490 4.557 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.778 0.960 4.360 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.456 0.147 2.930 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -8.097 -3.266 1.683 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -8.806 -1.696 2.134 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.255 -1.755 1.264 1.00 0.00 H new ATOM 541 N TYR A 39 -4.154 1.561 3.296 1.00 0.00 N ATOM 542 CA TYR A 39 -3.068 2.271 3.950 1.00 0.00 C ATOM 543 C TYR A 39 -3.511 2.813 5.311 1.00 0.00 C ATOM 544 O TYR A 39 -4.203 3.826 5.386 1.00 0.00 O ATOM 545 CB TYR A 39 -2.722 3.448 3.036 1.00 0.00 C ATOM 546 CG TYR A 39 -1.981 4.585 3.739 1.00 0.00 C ATOM 547 CD1 TYR A 39 -1.235 4.328 4.870 1.00 0.00 C ATOM 548 CD2 TYR A 39 -2.060 5.871 3.242 1.00 0.00 C ATOM 549 CE1 TYR A 39 -0.537 5.400 5.532 1.00 0.00 C ATOM 550 CE2 TYR A 39 -1.362 6.942 3.904 1.00 0.00 C ATOM 551 CZ TYR A 39 -0.634 6.654 5.017 1.00 0.00 C ATOM 552 OH TYR A 39 0.023 7.666 5.642 1.00 0.00 O ATOM 0 H TYR A 39 -4.542 2.034 2.480 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.220 1.607 4.116 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.110 3.085 2.210 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.642 3.841 2.603 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.174 3.323 5.260 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.645 6.073 2.357 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.051 5.211 6.418 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.415 7.952 3.525 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.428 7.877 6.486 1.00 0.00 H new ATOM 562 N ARG A 40 -3.091 2.112 6.356 1.00 0.00 N ATOM 563 CA ARG A 40 -3.435 2.510 7.710 1.00 0.00 C ATOM 564 C ARG A 40 -2.179 2.567 8.582 1.00 0.00 C ATOM 565 O ARG A 40 -1.783 1.563 9.173 1.00 0.00 O ATOM 566 CB ARG A 40 -4.436 1.534 8.333 1.00 0.00 C ATOM 567 CG ARG A 40 -5.563 1.205 7.353 1.00 0.00 C ATOM 568 CD ARG A 40 -6.628 2.304 7.353 1.00 0.00 C ATOM 569 NE ARG A 40 -7.971 1.707 7.531 1.00 0.00 N ATOM 570 CZ ARG A 40 -8.497 1.384 8.721 1.00 0.00 C ATOM 571 NH1 ARG A 40 -7.798 1.597 9.843 1.00 0.00 N ATOM 572 NH2 ARG A 40 -9.723 0.847 8.787 1.00 0.00 N ATOM 0 H ARG A 40 -2.516 1.272 6.291 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.891 3.499 7.659 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.923 0.617 8.624 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.854 1.967 9.242 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.155 1.089 6.349 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.018 0.252 7.623 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.428 3.016 8.154 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.589 2.860 6.416 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.531 1.531 6.697 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.865 2.005 9.793 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.199 1.351 10.748 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.255 0.684 7.932 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.124 0.601 9.692 1.00 0.00 H new ATOM 586 N GLY A 41 -1.586 3.750 8.634 1.00 0.00 N ATOM 587 CA GLY A 41 -0.383 3.951 9.423 1.00 0.00 C ATOM 588 C GLY A 41 0.844 4.108 8.522 1.00 0.00 C ATOM 589 O GLY A 41 0.923 3.490 7.461 1.00 0.00 O ATOM 0 H GLY A 41 -1.917 4.580 8.142 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.497 4.838 10.046 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.239 3.105 10.095 1.00 0.00 H new ATOM 593 N PHE A 42 1.770 4.940 8.976 1.00 0.00 N ATOM 594 CA PHE A 42 2.989 5.186 8.225 1.00 0.00 C ATOM 595 C PHE A 42 4.191 5.327 9.161 1.00 0.00 C ATOM 596 O PHE A 42 4.327 6.332 9.856 1.00 0.00 O ATOM 597 CB PHE A 42 2.790 6.502 7.468 1.00 0.00 C ATOM 598 CG PHE A 42 3.993 6.919 6.621 1.00 0.00 C ATOM 599 CD1 PHE A 42 4.417 6.124 5.603 1.00 0.00 C ATOM 600 CD2 PHE A 42 4.638 8.087 6.886 1.00 0.00 C ATOM 601 CE1 PHE A 42 5.534 6.512 4.816 1.00 0.00 C ATOM 602 CE2 PHE A 42 5.754 8.475 6.100 1.00 0.00 C ATOM 603 CZ PHE A 42 6.179 7.681 5.081 1.00 0.00 C ATOM 0 H PHE A 42 1.700 5.452 9.855 1.00 0.00 H new ATOM 0 HA PHE A 42 3.184 4.353 7.550 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.918 6.409 6.821 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.572 7.293 8.186 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.904 5.197 5.393 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.301 8.719 7.694 1.00 0.00 H new ATOM 0 HE1 PHE A 42 5.871 5.880 4.008 1.00 0.00 H new ATOM 0 HE2 PHE A 42 6.266 9.402 6.311 1.00 0.00 H new ATOM 0 HZ PHE A 42 7.028 7.978 4.482 1.00 0.00 H new ATOM 613 N GLU A 43 5.033 4.304 9.148 1.00 0.00 N ATOM 614 CA GLU A 43 6.219 4.301 9.987 1.00 0.00 C ATOM 615 C GLU A 43 7.434 4.781 9.191 1.00 0.00 C ATOM 616 O GLU A 43 8.079 3.993 8.500 1.00 0.00 O ATOM 617 CB GLU A 43 6.467 2.912 10.581 1.00 0.00 C ATOM 618 CG GLU A 43 6.273 2.922 12.098 1.00 0.00 C ATOM 619 CD GLU A 43 7.393 3.704 12.790 1.00 0.00 C ATOM 620 OE1 GLU A 43 7.620 4.860 12.371 1.00 0.00 O ATOM 621 OE2 GLU A 43 7.996 3.128 13.720 1.00 0.00 O ATOM 0 H GLU A 43 4.917 3.472 8.570 1.00 0.00 H new ATOM 0 HA GLU A 43 6.056 4.991 10.815 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.785 2.192 10.128 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.479 2.586 10.342 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.309 3.368 12.342 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.254 1.899 12.472 1.00 0.00 H new ATOM 628 N ASP A 44 7.710 6.071 9.313 1.00 0.00 N ATOM 629 CA ASP A 44 8.836 6.666 8.614 1.00 0.00 C ATOM 630 C ASP A 44 8.604 6.565 7.105 1.00 0.00 C ATOM 631 O ASP A 44 8.282 7.559 6.455 1.00 0.00 O ATOM 632 CB ASP A 44 10.138 5.933 8.942 1.00 0.00 C ATOM 633 CG ASP A 44 11.052 6.651 9.937 1.00 0.00 C ATOM 634 OD1 ASP A 44 11.162 7.890 9.814 1.00 0.00 O ATOM 635 OD2 ASP A 44 11.618 5.945 10.799 1.00 0.00 O ATOM 0 H ASP A 44 7.173 6.721 9.886 1.00 0.00 H new ATOM 0 HA ASP A 44 8.918 7.706 8.931 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.892 4.949 9.342 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.690 5.772 8.016 1.00 0.00 H new ATOM 640 N GLY A 45 8.776 5.356 6.592 1.00 0.00 N ATOM 641 CA GLY A 45 8.590 5.112 5.171 1.00 0.00 C ATOM 642 C GLY A 45 7.674 3.909 4.937 1.00 0.00 C ATOM 643 O GLY A 45 6.858 3.916 4.016 1.00 0.00 O ATOM 0 H GLY A 45 9.042 4.534 7.135 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.162 5.997 4.699 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.556 4.935 4.699 1.00 0.00 H new ATOM 647 N ILE A 46 7.839 2.906 5.786 1.00 0.00 N ATOM 648 CA ILE A 46 7.038 1.698 5.684 1.00 0.00 C ATOM 649 C ILE A 46 5.557 2.063 5.805 1.00 0.00 C ATOM 650 O ILE A 46 5.064 2.317 6.903 1.00 0.00 O ATOM 651 CB ILE A 46 7.500 0.659 6.706 1.00 0.00 C ATOM 652 CG1 ILE A 46 8.869 0.087 6.326 1.00 0.00 C ATOM 653 CG2 ILE A 46 6.451 -0.440 6.886 1.00 0.00 C ATOM 654 CD1 ILE A 46 9.992 1.052 6.712 1.00 0.00 C ATOM 0 H ILE A 46 8.516 2.905 6.549 1.00 0.00 H new ATOM 0 HA ILE A 46 7.175 1.232 4.708 1.00 0.00 H new ATOM 0 HB ILE A 46 7.613 1.156 7.669 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.019 -0.870 6.826 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.902 -0.105 5.254 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.806 -1.165 7.618 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.518 0.002 7.235 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.281 -0.940 5.933 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.954 0.622 6.431 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.852 2.000 6.192 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.971 1.223 7.788 1.00 0.00 H new ATOM 666 N VAL A 47 4.888 2.077 4.662 1.00 0.00 N ATOM 667 CA VAL A 47 3.472 2.406 4.626 1.00 0.00 C ATOM 668 C VAL A 47 2.657 1.172 5.016 1.00 0.00 C ATOM 669 O VAL A 47 2.682 0.160 4.316 1.00 0.00 O ATOM 670 CB VAL A 47 3.099 2.960 3.249 1.00 0.00 C ATOM 671 CG1 VAL A 47 1.635 3.401 3.215 1.00 0.00 C ATOM 672 CG2 VAL A 47 4.027 4.109 2.850 1.00 0.00 C ATOM 0 H VAL A 47 5.300 1.866 3.753 1.00 0.00 H new ATOM 0 HA VAL A 47 3.242 3.189 5.349 1.00 0.00 H new ATOM 0 HB VAL A 47 3.225 2.159 2.520 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.395 3.791 2.226 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.993 2.548 3.434 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.472 4.179 3.961 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.740 4.484 1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.947 4.912 3.583 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.056 3.750 2.815 1.00 0.00 H new ATOM 682 N ARG A 48 1.953 1.296 6.131 1.00 0.00 N ATOM 683 CA ARG A 48 1.130 0.203 6.623 1.00 0.00 C ATOM 684 C ARG A 48 -0.105 0.029 5.737 1.00 0.00 C ATOM 685 O ARG A 48 -1.011 0.863 5.759 1.00 0.00 O ATOM 686 CB ARG A 48 0.685 0.454 8.065 1.00 0.00 C ATOM 687 CG ARG A 48 1.851 0.267 9.038 1.00 0.00 C ATOM 688 CD ARG A 48 1.355 0.221 10.485 1.00 0.00 C ATOM 689 NE ARG A 48 1.949 1.333 11.259 1.00 0.00 N ATOM 690 CZ ARG A 48 1.696 1.566 12.555 1.00 0.00 C ATOM 691 NH1 ARG A 48 0.859 0.766 13.228 1.00 0.00 N ATOM 692 NH2 ARG A 48 2.280 2.600 13.176 1.00 0.00 N ATOM 0 H ARG A 48 1.935 2.137 6.708 1.00 0.00 H new ATOM 0 HA ARG A 48 1.732 -0.705 6.595 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.289 1.465 8.156 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.123 -0.230 8.324 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.382 -0.655 8.802 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.563 1.084 8.920 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.268 0.291 10.508 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.622 -0.733 10.940 1.00 0.00 H new ATOM 0 HE ARG A 48 2.591 1.962 10.777 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.414 -0.020 12.755 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.666 0.943 14.214 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.917 3.210 12.663 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.088 2.777 14.162 1.00 0.00 H new ATOM 706 N LEU A 49 -0.104 -1.058 4.980 1.00 0.00 N ATOM 707 CA LEU A 49 -1.214 -1.350 4.090 1.00 0.00 C ATOM 708 C LEU A 49 -1.703 -2.778 4.344 1.00 0.00 C ATOM 709 O LEU A 49 -0.899 -3.684 4.560 1.00 0.00 O ATOM 710 CB LEU A 49 -0.820 -1.085 2.636 1.00 0.00 C ATOM 711 CG LEU A 49 0.198 0.035 2.411 1.00 0.00 C ATOM 712 CD1 LEU A 49 1.256 -0.382 1.389 1.00 0.00 C ATOM 713 CD2 LEU A 49 -0.500 1.338 2.015 1.00 0.00 C ATOM 0 H LEU A 49 0.648 -1.747 4.965 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.052 -0.684 4.295 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.416 -2.006 2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.723 -0.847 2.073 1.00 0.00 H new ATOM 0 HG LEU A 49 0.716 0.220 3.352 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.967 0.432 1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.783 -1.265 1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.774 -0.611 0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.246 2.118 1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.061 1.185 1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.183 1.641 2.809 1.00 0.00 H new ATOM 725 N LYS A 50 -3.018 -2.935 4.310 1.00 0.00 N ATOM 726 CA LYS A 50 -3.623 -4.237 4.533 1.00 0.00 C ATOM 727 C LYS A 50 -4.030 -4.843 3.188 1.00 0.00 C ATOM 728 O LYS A 50 -5.217 -4.993 2.906 1.00 0.00 O ATOM 729 CB LYS A 50 -4.776 -4.127 5.533 1.00 0.00 C ATOM 730 CG LYS A 50 -5.459 -5.482 5.733 1.00 0.00 C ATOM 731 CD LYS A 50 -6.476 -5.420 6.874 1.00 0.00 C ATOM 732 CE LYS A 50 -7.803 -4.827 6.394 1.00 0.00 C ATOM 733 NZ LYS A 50 -8.670 -5.886 5.832 1.00 0.00 N ATOM 0 H LYS A 50 -3.682 -2.182 4.131 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.903 -4.920 4.985 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.400 -3.761 6.488 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.504 -3.398 5.176 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.959 -5.781 4.812 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.709 -6.243 5.950 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.643 -6.421 7.271 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.077 -4.816 7.689 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.310 -4.336 7.224 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.615 -4.064 5.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.566 -5.467 5.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.190 -6.336 5.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.864 -6.600 6.563 1.00 0.00 H new ATOM 747 N LEU A 51 -3.022 -5.174 2.396 1.00 0.00 N ATOM 748 CA LEU A 51 -3.260 -5.761 1.088 1.00 0.00 C ATOM 749 C LEU A 51 -3.312 -7.285 1.218 1.00 0.00 C ATOM 750 O LEU A 51 -2.455 -7.885 1.867 1.00 0.00 O ATOM 751 CB LEU A 51 -2.222 -5.264 0.080 1.00 0.00 C ATOM 752 CG LEU A 51 -0.875 -5.991 0.093 1.00 0.00 C ATOM 753 CD1 LEU A 51 -0.225 -5.918 1.477 1.00 0.00 C ATOM 754 CD2 LEU A 51 -1.025 -7.434 -0.394 1.00 0.00 C ATOM 0 H LEU A 51 -2.038 -5.047 2.634 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.226 -5.442 0.698 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.647 -5.346 -0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.043 -4.205 0.265 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.207 -5.484 -0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.730 -6.442 1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.061 -4.875 1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.881 -6.385 2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.053 -7.927 -0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.716 -7.968 0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.413 -7.436 -1.413 1.00 0.00 H new ATOM 988 N GLY A 68 6.919 -4.453 -8.388 1.00 0.00 N ATOM 989 CA GLY A 68 6.698 -3.303 -9.248 1.00 0.00 C ATOM 990 C GLY A 68 5.951 -2.196 -8.502 1.00 0.00 C ATOM 991 O GLY A 68 6.182 -1.013 -8.744 1.00 0.00 O ATOM 0 HA2 GLY A 68 7.655 -2.923 -9.606 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.126 -3.605 -10.125 1.00 0.00 H new ATOM 995 N ILE A 69 5.068 -2.620 -7.609 1.00 0.00 N ATOM 996 CA ILE A 69 4.285 -1.680 -6.825 1.00 0.00 C ATOM 997 C ILE A 69 5.120 -1.189 -5.641 1.00 0.00 C ATOM 998 O ILE A 69 5.223 0.013 -5.405 1.00 0.00 O ATOM 999 CB ILE A 69 2.948 -2.304 -6.418 1.00 0.00 C ATOM 1000 CG1 ILE A 69 2.061 -2.547 -7.641 1.00 0.00 C ATOM 1001 CG2 ILE A 69 2.245 -1.452 -5.359 1.00 0.00 C ATOM 1002 CD1 ILE A 69 1.333 -3.887 -7.533 1.00 0.00 C ATOM 0 H ILE A 69 4.878 -3.602 -7.411 1.00 0.00 H new ATOM 0 HA ILE A 69 4.033 -0.804 -7.422 1.00 0.00 H new ATOM 0 HB ILE A 69 3.148 -3.276 -5.968 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.334 -1.740 -7.733 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.670 -2.532 -8.545 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.298 -1.918 -5.087 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.878 -1.375 -4.475 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.058 -0.456 -5.759 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.710 -4.035 -8.415 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.063 -4.693 -7.466 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.706 -3.890 -6.641 1.00 0.00 H new ATOM 1014 N GLN A 70 5.697 -2.145 -4.927 1.00 0.00 N ATOM 1015 CA GLN A 70 6.520 -1.826 -3.774 1.00 0.00 C ATOM 1016 C GLN A 70 7.564 -0.769 -4.143 1.00 0.00 C ATOM 1017 O GLN A 70 7.948 0.048 -3.307 1.00 0.00 O ATOM 1018 CB GLN A 70 7.187 -3.082 -3.210 1.00 0.00 C ATOM 1019 CG GLN A 70 6.382 -3.652 -2.041 1.00 0.00 C ATOM 1020 CD GLN A 70 5.946 -5.091 -2.325 1.00 0.00 C ATOM 1021 OE1 GLN A 70 4.774 -5.428 -2.299 1.00 0.00 O ATOM 1022 NE2 GLN A 70 6.952 -5.917 -2.595 1.00 0.00 N ATOM 0 H GLN A 70 5.610 -3.142 -5.126 1.00 0.00 H new ATOM 0 HA GLN A 70 5.876 -1.417 -2.995 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.278 -3.833 -3.994 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.198 -2.844 -2.878 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.983 -3.623 -1.132 1.00 0.00 H new ATOM 0 HG3 GLN A 70 5.504 -3.031 -1.862 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.911 -5.569 -2.600 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.765 -6.899 -2.797 1.00 0.00 H new ATOM 1031 N ASN A 71 7.993 -0.820 -5.395 1.00 0.00 N ATOM 1032 CA ASN A 71 8.985 0.122 -5.885 1.00 0.00 C ATOM 1033 C ASN A 71 8.281 1.390 -6.372 1.00 0.00 C ATOM 1034 O ASN A 71 8.641 2.496 -5.972 1.00 0.00 O ATOM 1035 CB ASN A 71 9.769 -0.465 -7.062 1.00 0.00 C ATOM 1036 CG ASN A 71 11.226 -0.001 -7.036 1.00 0.00 C ATOM 1037 OD1 ASN A 71 11.702 0.579 -6.074 1.00 0.00 O ATOM 1038 ND2 ASN A 71 11.904 -0.286 -8.144 1.00 0.00 N ATOM 0 H ASN A 71 7.672 -1.499 -6.085 1.00 0.00 H new ATOM 0 HA ASN A 71 9.672 0.343 -5.068 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.730 -1.554 -7.023 1.00 0.00 H new ATOM 0 HB3 ASN A 71 9.304 -0.163 -8.000 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.884 -0.016 -8.226 1.00 0.00 H new ATOM 0 HD22 ASN A 71 11.444 -0.774 -8.912 1.00 0.00 H new ATOM 1045 N MET A 72 7.290 1.187 -7.227 1.00 0.00 N ATOM 1046 CA MET A 72 6.533 2.301 -7.772 1.00 0.00 C ATOM 1047 C MET A 72 6.323 3.390 -6.718 1.00 0.00 C ATOM 1048 O MET A 72 6.454 4.577 -7.012 1.00 0.00 O ATOM 1049 CB MET A 72 5.174 1.800 -8.266 1.00 0.00 C ATOM 1050 CG MET A 72 4.362 2.940 -8.887 1.00 0.00 C ATOM 1051 SD MET A 72 3.160 2.282 -10.030 1.00 0.00 S ATOM 1052 CE MET A 72 1.914 1.721 -8.881 1.00 0.00 C ATOM 0 H MET A 72 6.994 0.268 -7.556 1.00 0.00 H new ATOM 0 HA MET A 72 7.097 2.729 -8.601 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.319 1.009 -9.002 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.619 1.364 -7.435 1.00 0.00 H new ATOM 0 HG2 MET A 72 3.859 3.507 -8.104 1.00 0.00 H new ATOM 0 HG3 MET A 72 5.027 3.631 -9.404 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.451 0.811 -9.262 1.00 0.00 H new ATOM 0 HE2 MET A 72 2.376 1.516 -7.915 1.00 0.00 H new ATOM 0 HE3 MET A 72 1.154 2.493 -8.763 1.00 0.00 H new ATOM 1062 N LEU A 73 6.000 2.947 -5.512 1.00 0.00 N ATOM 1063 CA LEU A 73 5.771 3.869 -4.413 1.00 0.00 C ATOM 1064 C LEU A 73 7.051 4.663 -4.144 1.00 0.00 C ATOM 1065 O LEU A 73 7.080 5.880 -4.327 1.00 0.00 O ATOM 1066 CB LEU A 73 5.243 3.121 -3.186 1.00 0.00 C ATOM 1067 CG LEU A 73 3.802 3.431 -2.780 1.00 0.00 C ATOM 1068 CD1 LEU A 73 3.450 2.760 -1.451 1.00 0.00 C ATOM 1069 CD2 LEU A 73 3.556 4.941 -2.741 1.00 0.00 C ATOM 0 H LEU A 73 5.891 1.962 -5.272 1.00 0.00 H new ATOM 0 HA LEU A 73 4.997 4.590 -4.676 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.324 2.051 -3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.894 3.345 -2.341 1.00 0.00 H new ATOM 0 HG LEU A 73 3.137 3.015 -3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.420 2.997 -1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.561 1.680 -1.548 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.119 3.125 -0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.524 5.134 -2.450 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.229 5.401 -2.018 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.740 5.365 -3.728 1.00 0.00 H new ATOM 1081 N GLN A 74 8.077 3.944 -3.715 1.00 0.00 N ATOM 1082 CA GLN A 74 9.357 4.567 -3.421 1.00 0.00 C ATOM 1083 C GLN A 74 9.852 5.361 -4.631 1.00 0.00 C ATOM 1084 O GLN A 74 10.376 6.464 -4.483 1.00 0.00 O ATOM 1085 CB GLN A 74 10.389 3.523 -2.990 1.00 0.00 C ATOM 1086 CG GLN A 74 10.415 3.374 -1.467 1.00 0.00 C ATOM 1087 CD GLN A 74 10.623 1.912 -1.064 1.00 0.00 C ATOM 1088 OE1 GLN A 74 11.736 1.421 -0.966 1.00 0.00 O ATOM 1089 NE2 GLN A 74 9.494 1.248 -0.835 1.00 0.00 N ATOM 0 H GLN A 74 8.049 2.936 -3.564 1.00 0.00 H new ATOM 0 HA GLN A 74 9.220 5.258 -2.590 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.154 2.563 -3.449 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.377 3.814 -3.348 1.00 0.00 H new ATOM 0 HG2 GLN A 74 11.215 3.987 -1.051 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.479 3.742 -1.046 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.595 1.720 -0.935 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.527 0.267 -0.559 1.00 0.00 H new ATOM 1098 N PHE A 75 9.669 4.769 -5.803 1.00 0.00 N ATOM 1099 CA PHE A 75 10.090 5.407 -7.037 1.00 0.00 C ATOM 1100 C PHE A 75 9.474 6.801 -7.173 1.00 0.00 C ATOM 1101 O PHE A 75 10.192 7.792 -7.295 1.00 0.00 O ATOM 1102 CB PHE A 75 9.593 4.529 -8.188 1.00 0.00 C ATOM 1103 CG PHE A 75 9.344 5.293 -9.490 1.00 0.00 C ATOM 1104 CD1 PHE A 75 10.368 5.504 -10.360 1.00 0.00 C ATOM 1105 CD2 PHE A 75 8.099 5.759 -9.778 1.00 0.00 C ATOM 1106 CE1 PHE A 75 10.136 6.212 -11.570 1.00 0.00 C ATOM 1107 CE2 PHE A 75 7.868 6.466 -10.988 1.00 0.00 C ATOM 1108 CZ PHE A 75 8.892 6.678 -11.858 1.00 0.00 C ATOM 0 H PHE A 75 9.235 3.854 -5.923 1.00 0.00 H new ATOM 0 HA PHE A 75 11.175 5.516 -7.047 1.00 0.00 H new ATOM 0 HB2 PHE A 75 10.325 3.743 -8.374 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.668 4.038 -7.884 1.00 0.00 H new ATOM 0 HD1 PHE A 75 11.356 5.134 -10.131 1.00 0.00 H new ATOM 0 HD2 PHE A 75 7.286 5.591 -9.087 1.00 0.00 H new ATOM 0 HE1 PHE A 75 10.949 6.380 -12.261 1.00 0.00 H new ATOM 0 HE2 PHE A 75 6.879 6.835 -11.217 1.00 0.00 H new ATOM 0 HZ PHE A 75 8.717 7.217 -12.778 1.00 0.00 H new ATOM 1118 N TYR A 76 8.150 6.834 -7.145 1.00 0.00 N ATOM 1119 CA TYR A 76 7.429 8.090 -7.263 1.00 0.00 C ATOM 1120 C TYR A 76 7.668 8.976 -6.038 1.00 0.00 C ATOM 1121 O TYR A 76 8.109 10.116 -6.170 1.00 0.00 O ATOM 1122 CB TYR A 76 5.945 7.720 -7.329 1.00 0.00 C ATOM 1123 CG TYR A 76 5.385 7.643 -8.751 1.00 0.00 C ATOM 1124 CD1 TYR A 76 5.172 8.801 -9.471 1.00 0.00 C ATOM 1125 CD2 TYR A 76 5.094 6.417 -9.312 1.00 0.00 C ATOM 1126 CE1 TYR A 76 4.645 8.729 -10.809 1.00 0.00 C ATOM 1127 CE2 TYR A 76 4.567 6.345 -10.651 1.00 0.00 C ATOM 1128 CZ TYR A 76 4.369 7.504 -11.333 1.00 0.00 C ATOM 1129 OH TYR A 76 3.871 7.436 -12.597 1.00 0.00 O ATOM 0 H TYR A 76 7.557 6.010 -7.042 1.00 0.00 H new ATOM 0 HA TYR A 76 7.761 8.643 -8.142 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.799 6.757 -6.840 1.00 0.00 H new ATOM 0 HB3 TYR A 76 5.372 8.455 -6.763 1.00 0.00 H new ATOM 0 HD1 TYR A 76 5.400 9.761 -9.031 1.00 0.00 H new ATOM 0 HD2 TYR A 76 5.261 5.511 -8.748 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.473 9.627 -11.384 1.00 0.00 H new ATOM 0 HE2 TYR A 76 4.335 5.392 -11.103 1.00 0.00 H new ATOM 0 HH TYR A 76 3.723 6.498 -12.840 1.00 0.00 H new ATOM 1139 N ILE A 77 7.365 8.418 -4.876 1.00 0.00 N ATOM 1140 CA ILE A 77 7.540 9.143 -3.629 1.00 0.00 C ATOM 1141 C ILE A 77 8.756 8.584 -2.886 1.00 0.00 C ATOM 1142 O ILE A 77 8.780 7.409 -2.523 1.00 0.00 O ATOM 1143 CB ILE A 77 6.251 9.116 -2.806 1.00 0.00 C ATOM 1144 CG1 ILE A 77 5.127 9.864 -3.525 1.00 0.00 C ATOM 1145 CG2 ILE A 77 6.490 9.656 -1.395 1.00 0.00 C ATOM 1146 CD1 ILE A 77 3.790 9.662 -2.811 1.00 0.00 C ATOM 0 H ILE A 77 6.999 7.472 -4.771 1.00 0.00 H new ATOM 0 HA ILE A 77 7.742 10.196 -3.826 1.00 0.00 H new ATOM 0 HB ILE A 77 5.932 8.079 -2.703 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.363 10.927 -3.569 1.00 0.00 H new ATOM 0 HG13 ILE A 77 5.051 9.512 -4.554 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.558 9.626 -0.831 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.238 9.043 -0.893 1.00 0.00 H new ATOM 0 HG23 ILE A 77 6.845 10.685 -1.454 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.008 10.204 -3.343 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.545 8.600 -2.790 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.862 10.038 -1.790 1.00 0.00 H new ATOM 1158 N PRO A 78 9.761 9.474 -2.676 1.00 0.00 N ATOM 1159 CA PRO A 78 10.977 9.082 -1.983 1.00 0.00 C ATOM 1160 C PRO A 78 10.732 8.952 -0.478 1.00 0.00 C ATOM 1161 O PRO A 78 11.626 8.555 0.268 1.00 0.00 O ATOM 1162 CB PRO A 78 11.992 10.159 -2.328 1.00 0.00 C ATOM 1163 CG PRO A 78 11.185 11.352 -2.816 1.00 0.00 C ATOM 1164 CD PRO A 78 9.768 10.874 -3.091 1.00 0.00 C ATOM 0 HA PRO A 78 11.338 8.101 -2.290 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.592 10.423 -1.457 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.682 9.813 -3.098 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.182 12.144 -2.067 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.629 11.770 -3.719 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.038 11.457 -2.530 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.514 10.975 -4.146 1.00 0.00 H new ATOM 1172 N GLU A 79 9.515 9.292 -0.077 1.00 0.00 N ATOM 1173 CA GLU A 79 9.142 9.218 1.325 1.00 0.00 C ATOM 1174 C GLU A 79 9.019 7.758 1.764 1.00 0.00 C ATOM 1175 O GLU A 79 9.569 7.366 2.793 1.00 0.00 O ATOM 1176 CB GLU A 79 7.842 9.981 1.586 1.00 0.00 C ATOM 1177 CG GLU A 79 7.876 11.363 0.931 1.00 0.00 C ATOM 1178 CD GLU A 79 7.889 12.471 1.988 1.00 0.00 C ATOM 1179 OE1 GLU A 79 8.409 12.196 3.091 1.00 0.00 O ATOM 1180 OE2 GLU A 79 7.379 13.566 1.668 1.00 0.00 O ATOM 0 H GLU A 79 8.775 9.619 -0.699 1.00 0.00 H new ATOM 0 HA GLU A 79 9.927 9.690 1.916 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.998 9.411 1.198 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.688 10.087 2.660 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.760 11.448 0.299 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.008 11.484 0.283 1.00 0.00 H new ATOM 1187 N VAL A 80 8.293 6.991 0.964 1.00 0.00 N ATOM 1188 CA VAL A 80 8.090 5.583 1.258 1.00 0.00 C ATOM 1189 C VAL A 80 9.445 4.871 1.282 1.00 0.00 C ATOM 1190 O VAL A 80 10.356 5.237 0.540 1.00 0.00 O ATOM 1191 CB VAL A 80 7.113 4.973 0.251 1.00 0.00 C ATOM 1192 CG1 VAL A 80 6.731 3.547 0.653 1.00 0.00 C ATOM 1193 CG2 VAL A 80 5.869 5.850 0.094 1.00 0.00 C ATOM 0 H VAL A 80 7.838 7.318 0.112 1.00 0.00 H new ATOM 0 HA VAL A 80 7.640 5.460 2.243 1.00 0.00 H new ATOM 0 HB VAL A 80 7.614 4.926 -0.716 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.036 3.136 -0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.627 2.927 0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.258 3.560 1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.191 5.394 -0.627 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.366 5.943 1.056 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.163 6.838 -0.259 1.00 0.00 H new ATOM 1203 N GLU A 81 9.535 3.867 2.142 1.00 0.00 N ATOM 1204 CA GLU A 81 10.763 3.102 2.273 1.00 0.00 C ATOM 1205 C GLU A 81 10.494 1.618 2.011 1.00 0.00 C ATOM 1206 O GLU A 81 11.279 0.951 1.340 1.00 0.00 O ATOM 1207 CB GLU A 81 11.395 3.309 3.650 1.00 0.00 C ATOM 1208 CG GLU A 81 11.989 4.713 3.775 1.00 0.00 C ATOM 1209 CD GLU A 81 13.505 4.652 3.972 1.00 0.00 C ATOM 1210 OE1 GLU A 81 13.920 4.538 5.146 1.00 0.00 O ATOM 1211 OE2 GLU A 81 14.215 4.721 2.946 1.00 0.00 O ATOM 0 H GLU A 81 8.777 3.566 2.755 1.00 0.00 H new ATOM 0 HA GLU A 81 11.472 3.461 1.527 1.00 0.00 H new ATOM 0 HB2 GLU A 81 10.644 3.158 4.425 1.00 0.00 H new ATOM 0 HB3 GLU A 81 12.175 2.565 3.812 1.00 0.00 H new ATOM 0 HG2 GLU A 81 11.758 5.290 2.880 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.530 5.232 4.616 1.00 0.00 H new ATOM 1218 N GLY A 82 9.381 1.146 2.554 1.00 0.00 N ATOM 1219 CA GLY A 82 8.999 -0.246 2.388 1.00 0.00 C ATOM 1220 C GLY A 82 7.483 -0.416 2.510 1.00 0.00 C ATOM 1221 O GLY A 82 6.756 0.563 2.671 1.00 0.00 O ATOM 0 H GLY A 82 8.732 1.703 3.109 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.332 -0.605 1.414 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.499 -0.856 3.140 1.00 0.00 H new ATOM 1225 N VAL A 83 7.052 -1.666 2.428 1.00 0.00 N ATOM 1226 CA VAL A 83 5.637 -1.977 2.528 1.00 0.00 C ATOM 1227 C VAL A 83 5.418 -2.982 3.661 1.00 0.00 C ATOM 1228 O VAL A 83 6.362 -3.630 4.111 1.00 0.00 O ATOM 1229 CB VAL A 83 5.114 -2.474 1.178 1.00 0.00 C ATOM 1230 CG1 VAL A 83 5.511 -1.520 0.051 1.00 0.00 C ATOM 1231 CG2 VAL A 83 5.602 -3.895 0.892 1.00 0.00 C ATOM 0 H VAL A 83 7.658 -2.475 2.293 1.00 0.00 H new ATOM 0 HA VAL A 83 5.066 -1.082 2.774 1.00 0.00 H new ATOM 0 HB VAL A 83 4.025 -2.497 1.228 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.127 -1.897 -0.897 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.092 -0.533 0.246 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.598 -1.449 -0.000 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.217 -4.225 -0.073 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.692 -3.908 0.871 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.246 -4.566 1.674 1.00 0.00 H new ATOM 1241 N GLU A 84 4.168 -3.081 4.088 1.00 0.00 N ATOM 1242 CA GLU A 84 3.813 -3.997 5.159 1.00 0.00 C ATOM 1243 C GLU A 84 2.347 -4.413 5.038 1.00 0.00 C ATOM 1244 O GLU A 84 1.477 -3.575 4.802 1.00 0.00 O ATOM 1245 CB GLU A 84 4.097 -3.374 6.528 1.00 0.00 C ATOM 1246 CG GLU A 84 4.898 -4.332 7.411 1.00 0.00 C ATOM 1247 CD GLU A 84 4.253 -5.719 7.443 1.00 0.00 C ATOM 1248 OE1 GLU A 84 3.044 -5.776 7.752 1.00 0.00 O ATOM 1249 OE2 GLU A 84 4.985 -6.691 7.156 1.00 0.00 O ATOM 0 H GLU A 84 3.388 -2.542 3.712 1.00 0.00 H new ATOM 0 HA GLU A 84 4.431 -4.890 5.068 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.650 -2.443 6.400 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.157 -3.122 7.019 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.918 -4.410 7.036 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.960 -3.933 8.423 1.00 0.00 H new ATOM 1256 N GLN A 85 2.116 -5.707 5.206 1.00 0.00 N ATOM 1257 CA GLN A 85 0.769 -6.244 5.119 1.00 0.00 C ATOM 1258 C GLN A 85 0.096 -6.217 6.493 1.00 0.00 C ATOM 1259 O GLN A 85 0.042 -7.236 7.181 1.00 0.00 O ATOM 1260 CB GLN A 85 0.780 -7.661 4.542 1.00 0.00 C ATOM 1261 CG GLN A 85 -0.588 -8.027 3.961 1.00 0.00 C ATOM 1262 CD GLN A 85 -1.205 -9.206 4.716 1.00 0.00 C ATOM 1263 OE1 GLN A 85 -1.847 -9.052 5.741 1.00 0.00 O ATOM 1264 NE2 GLN A 85 -0.976 -10.389 4.152 1.00 0.00 N ATOM 0 H GLN A 85 2.839 -6.399 5.402 1.00 0.00 H new ATOM 0 HA GLN A 85 0.192 -5.615 4.441 1.00 0.00 H new ATOM 0 HB2 GLN A 85 1.541 -7.735 3.765 1.00 0.00 H new ATOM 0 HB3 GLN A 85 1.050 -8.373 5.322 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -1.254 -7.166 4.017 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -0.483 -8.280 2.906 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -0.430 -10.447 3.293 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -1.347 -11.238 4.579 1.00 0.00 H new ATOM 1273 N VAL A 86 -0.398 -5.042 6.852 1.00 0.00 N ATOM 1274 CA VAL A 86 -1.065 -4.870 8.132 1.00 0.00 C ATOM 1275 C VAL A 86 -2.333 -5.725 8.161 1.00 0.00 C ATOM 1276 O VAL A 86 -2.855 -6.103 7.113 1.00 0.00 O ATOM 1277 CB VAL A 86 -1.338 -3.385 8.383 1.00 0.00 C ATOM 1278 CG1 VAL A 86 -0.039 -2.628 8.667 1.00 0.00 C ATOM 1279 CG2 VAL A 86 -2.092 -2.761 7.208 1.00 0.00 C ATOM 0 H VAL A 86 -0.350 -4.199 6.279 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.425 -5.212 8.946 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.971 -3.305 9.267 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.262 -1.575 8.842 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.442 -3.049 9.550 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.630 -2.720 7.812 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.274 -1.706 7.411 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.496 -2.858 6.300 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.044 -3.274 7.073 1.00 0.00 H new