USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 583 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 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0178) USER MOD Single : A 23 HIS : no HD1:sc= -4.03! C(o=-4!,f=-6!) USER MOD Single : A 33 THR OG1 : rot 150:sc= -0.0913 USER MOD Single : A 36 GLN : amide:sc= -8.14! C(o=-8.1!,f=-7.4!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.154 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -4.18! C(o=-4.2!,f=-13!) USER MOD Single : A 66 ASN : amide:sc= -0.232 X(o=-0.23,f=0) USER MOD Single : A 67 MET CE :methyl -132:sc= -3.22 (180deg=-6.06!) USER MOD Single : A 68 ASN : amide:sc= -1.87! C(o=-1.9!,f=-3.7!) USER MOD Single : A 70 SER OG : rot 54:sc= -0.763 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.21 K(o=-1.2,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 143 N ARG A 6 -18.735 0.685 3.943 1.00 0.00 N ATOM 144 CA ARG A 6 -18.135 0.519 2.625 1.00 0.00 C ATOM 145 C ARG A 6 -16.613 0.606 2.706 1.00 0.00 C ATOM 146 O ARG A 6 -15.902 -0.130 2.022 1.00 0.00 O ATOM 147 CB ARG A 6 -18.666 1.581 1.661 1.00 0.00 C ATOM 148 CG ARG A 6 -20.153 1.453 1.373 1.00 0.00 C ATOM 149 CD ARG A 6 -20.771 2.797 1.021 1.00 0.00 C ATOM 150 NE ARG A 6 -20.506 3.176 -0.364 1.00 0.00 N ATOM 151 CZ ARG A 6 -21.195 4.105 -1.017 1.00 0.00 C ATOM 152 NH1 ARG A 6 -22.185 4.748 -0.412 1.00 0.00 N ATOM 153 NH2 ARG A 6 -20.894 4.394 -2.276 1.00 0.00 N ATOM 0 HA ARG A 6 -18.407 -0.468 2.252 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -18.469 2.569 2.078 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -18.116 1.515 0.722 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -20.306 0.754 0.550 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -20.659 1.036 2.244 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -21.848 2.755 1.185 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -20.376 3.563 1.688 1.00 0.00 H new ATOM 0 HE ARG A 6 -19.750 2.701 -0.857 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -22.418 4.529 0.557 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -22.713 5.461 -0.915 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -20.133 3.903 -2.744 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -21.424 5.108 -2.776 1.00 0.00 H new ATOM 167 N VAL A 7 -16.121 1.512 3.545 1.00 0.00 N ATOM 168 CA VAL A 7 -14.685 1.695 3.716 1.00 0.00 C ATOM 169 C VAL A 7 -14.086 0.581 4.568 1.00 0.00 C ATOM 170 O VAL A 7 -14.451 0.411 5.732 1.00 0.00 O ATOM 171 CB VAL A 7 -14.366 3.053 4.369 1.00 0.00 C ATOM 172 CG1 VAL A 7 -12.863 3.237 4.512 1.00 0.00 C ATOM 173 CG2 VAL A 7 -14.976 4.188 3.560 1.00 0.00 C ATOM 0 H VAL A 7 -16.696 2.131 4.117 1.00 0.00 H new ATOM 0 HA VAL A 7 -14.242 1.665 2.721 1.00 0.00 H new ATOM 0 HB VAL A 7 -14.806 3.070 5.366 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -12.657 4.202 4.975 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -12.457 2.441 5.136 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -12.397 3.200 3.527 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -14.741 5.141 4.035 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -14.567 4.176 2.550 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -16.058 4.062 3.515 1.00 0.00 H new ATOM 183 N LEU A 8 -13.166 -0.175 3.981 1.00 0.00 N ATOM 184 CA LEU A 8 -12.515 -1.274 4.686 1.00 0.00 C ATOM 185 C LEU A 8 -11.067 -0.926 5.018 1.00 0.00 C ATOM 186 O LEU A 8 -10.320 -0.453 4.161 1.00 0.00 O ATOM 187 CB LEU A 8 -12.565 -2.548 3.842 1.00 0.00 C ATOM 188 CG LEU A 8 -13.925 -2.901 3.239 1.00 0.00 C ATOM 189 CD1 LEU A 8 -13.826 -4.168 2.403 1.00 0.00 C ATOM 190 CD2 LEU A 8 -14.968 -3.064 4.336 1.00 0.00 C ATOM 0 H LEU A 8 -12.853 -0.048 3.018 1.00 0.00 H new ATOM 0 HA LEU A 8 -13.052 -1.443 5.619 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -11.844 -2.450 3.030 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.237 -3.383 4.461 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.235 -2.084 2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.803 -4.403 1.982 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -13.110 -4.016 1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -13.493 -4.994 3.032 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -15.930 -3.315 3.889 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -14.663 -3.862 5.013 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.059 -2.131 4.893 1.00 0.00 H new ATOM 202 N TYR A 9 -10.677 -1.165 6.265 1.00 0.00 N ATOM 203 CA TYR A 9 -9.319 -0.878 6.710 1.00 0.00 C ATOM 204 C TYR A 9 -8.420 -2.098 6.539 1.00 0.00 C ATOM 205 O TYR A 9 -8.714 -3.178 7.053 1.00 0.00 O ATOM 206 CB TYR A 9 -9.322 -0.433 8.173 1.00 0.00 C ATOM 207 CG TYR A 9 -7.955 -0.461 8.818 1.00 0.00 C ATOM 208 CD1 TYR A 9 -7.378 -1.660 9.218 1.00 0.00 C ATOM 209 CD2 TYR A 9 -7.239 0.711 9.026 1.00 0.00 C ATOM 210 CE1 TYR A 9 -6.129 -1.690 9.808 1.00 0.00 C ATOM 211 CE2 TYR A 9 -5.989 0.691 9.614 1.00 0.00 C ATOM 212 CZ TYR A 9 -5.439 -0.512 10.004 1.00 0.00 C ATOM 213 OH TYR A 9 -4.194 -0.538 10.590 1.00 0.00 O ATOM 0 H TYR A 9 -11.283 -1.557 6.986 1.00 0.00 H new ATOM 0 HA TYR A 9 -8.925 -0.070 6.093 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -9.723 0.579 8.235 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -9.994 -1.078 8.739 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -7.915 -2.584 9.065 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -7.667 1.655 8.723 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.695 -2.631 10.114 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.446 1.612 9.767 1.00 0.00 H new ATOM 0 HH TYR A 9 -3.844 0.375 10.654 1.00 0.00 H new ATOM 223 N VAL A 10 -7.320 -1.919 5.814 1.00 0.00 N ATOM 224 CA VAL A 10 -6.375 -3.003 5.576 1.00 0.00 C ATOM 225 C VAL A 10 -5.054 -2.748 6.292 1.00 0.00 C ATOM 226 O VAL A 10 -4.546 -1.628 6.299 1.00 0.00 O ATOM 227 CB VAL A 10 -6.104 -3.191 4.071 1.00 0.00 C ATOM 228 CG1 VAL A 10 -5.085 -4.298 3.846 1.00 0.00 C ATOM 229 CG2 VAL A 10 -7.398 -3.488 3.329 1.00 0.00 C ATOM 0 H VAL A 10 -7.062 -1.032 5.381 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.829 -3.911 5.972 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.691 -2.263 3.676 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.906 -4.416 2.777 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.150 -4.039 4.344 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.467 -5.233 4.256 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.187 -3.618 2.267 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -7.843 -4.401 3.725 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.092 -2.658 3.462 1.00 0.00 H new ATOM 239 N GLY A 11 -4.501 -3.797 6.893 1.00 0.00 N ATOM 240 CA GLY A 11 -3.243 -3.666 7.604 1.00 0.00 C ATOM 241 C GLY A 11 -2.290 -4.809 7.313 1.00 0.00 C ATOM 242 O GLY A 11 -2.652 -5.770 6.636 1.00 0.00 O ATOM 0 H GLY A 11 -4.902 -4.735 6.900 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.770 -2.724 7.328 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.438 -3.623 8.676 1.00 0.00 H new ATOM 246 N GLY A 12 -1.067 -4.704 7.824 1.00 0.00 N ATOM 247 CA GLY A 12 -0.079 -5.742 7.602 1.00 0.00 C ATOM 248 C GLY A 12 0.255 -5.921 6.134 1.00 0.00 C ATOM 249 O GLY A 12 0.543 -7.032 5.686 1.00 0.00 O ATOM 0 H GLY A 12 -0.743 -3.918 8.388 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.830 -5.497 8.151 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.450 -6.685 8.004 1.00 0.00 H new ATOM 253 N LEU A 13 0.215 -4.827 5.382 1.00 0.00 N ATOM 254 CA LEU A 13 0.513 -4.868 3.955 1.00 0.00 C ATOM 255 C LEU A 13 2.019 -4.837 3.712 1.00 0.00 C ATOM 256 O LEU A 13 2.808 -4.767 4.654 1.00 0.00 O ATOM 257 CB LEU A 13 -0.154 -3.692 3.240 1.00 0.00 C ATOM 258 CG LEU A 13 -1.676 -3.764 3.105 1.00 0.00 C ATOM 259 CD1 LEU A 13 -2.224 -2.466 2.534 1.00 0.00 C ATOM 260 CD2 LEU A 13 -2.078 -4.945 2.233 1.00 0.00 C ATOM 0 H LEU A 13 -0.021 -3.900 5.737 1.00 0.00 H new ATOM 0 HA LEU A 13 0.117 -5.801 3.554 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.100 -2.776 3.774 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.276 -3.609 2.242 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.103 -3.908 4.097 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.308 -2.537 2.445 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.967 -1.640 3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.790 -2.290 1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.164 -4.981 2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.640 -4.831 1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.719 -5.870 2.685 1.00 0.00 H new ATOM 272 N ALA A 14 2.410 -4.887 2.443 1.00 0.00 N ATOM 273 CA ALA A 14 3.820 -4.860 2.077 1.00 0.00 C ATOM 274 C ALA A 14 4.307 -3.430 1.873 1.00 0.00 C ATOM 275 O ALA A 14 3.548 -2.476 2.043 1.00 0.00 O ATOM 276 CB ALA A 14 4.055 -5.684 0.819 1.00 0.00 C ATOM 0 H ALA A 14 1.770 -4.946 1.651 1.00 0.00 H new ATOM 0 HA ALA A 14 4.391 -5.297 2.896 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.113 -5.655 0.557 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.754 -6.716 0.999 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.467 -5.272 -0.001 1.00 0.00 H new ATOM 282 N GLU A 15 5.578 -3.288 1.508 1.00 0.00 N ATOM 283 CA GLU A 15 6.165 -1.973 1.283 1.00 0.00 C ATOM 284 C GLU A 15 5.919 -1.504 -0.148 1.00 0.00 C ATOM 285 O GLU A 15 6.004 -0.313 -0.445 1.00 0.00 O ATOM 286 CB GLU A 15 7.668 -2.005 1.569 1.00 0.00 C ATOM 287 CG GLU A 15 8.470 -2.766 0.527 1.00 0.00 C ATOM 288 CD GLU A 15 9.772 -3.314 1.078 1.00 0.00 C ATOM 289 OE1 GLU A 15 9.792 -3.717 2.260 1.00 0.00 O ATOM 290 OE2 GLU A 15 10.771 -3.339 0.329 1.00 0.00 O ATOM 0 H GLU A 15 6.220 -4.067 1.362 1.00 0.00 H new ATOM 0 HA GLU A 15 5.687 -1.269 1.965 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.040 -0.982 1.626 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.834 -2.459 2.546 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.868 -3.589 0.141 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.685 -2.106 -0.314 1.00 0.00 H new ATOM 297 N GLU A 16 5.615 -2.451 -1.030 1.00 0.00 N ATOM 298 CA GLU A 16 5.358 -2.136 -2.430 1.00 0.00 C ATOM 299 C GLU A 16 3.859 -2.016 -2.695 1.00 0.00 C ATOM 300 O GLU A 16 3.438 -1.428 -3.691 1.00 0.00 O ATOM 301 CB GLU A 16 5.963 -3.209 -3.338 1.00 0.00 C ATOM 302 CG GLU A 16 7.466 -3.365 -3.176 1.00 0.00 C ATOM 303 CD GLU A 16 8.013 -4.559 -3.935 1.00 0.00 C ATOM 304 OE1 GLU A 16 8.226 -4.436 -5.159 1.00 0.00 O ATOM 305 OE2 GLU A 16 8.227 -5.616 -3.305 1.00 0.00 O ATOM 0 H GLU A 16 5.541 -3.442 -0.800 1.00 0.00 H new ATOM 0 HA GLU A 16 5.827 -1.177 -2.651 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.482 -4.164 -3.128 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.741 -2.962 -4.376 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.961 -2.459 -3.525 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.705 -3.471 -2.118 1.00 0.00 H new ATOM 312 N VAL A 17 3.059 -2.579 -1.796 1.00 0.00 N ATOM 313 CA VAL A 17 1.608 -2.536 -1.930 1.00 0.00 C ATOM 314 C VAL A 17 1.081 -1.117 -1.751 1.00 0.00 C ATOM 315 O VAL A 17 1.465 -0.415 -0.815 1.00 0.00 O ATOM 316 CB VAL A 17 0.921 -3.460 -0.907 1.00 0.00 C ATOM 317 CG1 VAL A 17 -0.592 -3.341 -1.011 1.00 0.00 C ATOM 318 CG2 VAL A 17 1.366 -4.901 -1.108 1.00 0.00 C ATOM 0 H VAL A 17 3.391 -3.071 -0.966 1.00 0.00 H new ATOM 0 HA VAL A 17 1.374 -2.883 -2.936 1.00 0.00 H new ATOM 0 HB VAL A 17 1.218 -3.148 0.095 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.060 -4.001 -0.281 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.890 -2.311 -0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.911 -3.625 -2.014 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.871 -5.540 -0.377 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.100 -5.227 -2.114 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.446 -4.970 -0.978 1.00 0.00 H new ATOM 328 N ASP A 18 0.200 -0.700 -2.653 1.00 0.00 N ATOM 329 CA ASP A 18 -0.382 0.636 -2.594 1.00 0.00 C ATOM 330 C ASP A 18 -1.786 0.644 -3.191 1.00 0.00 C ATOM 331 O ASP A 18 -2.288 -0.388 -3.636 1.00 0.00 O ATOM 332 CB ASP A 18 0.507 1.635 -3.335 1.00 0.00 C ATOM 333 CG ASP A 18 1.854 1.820 -2.665 1.00 0.00 C ATOM 334 OD1 ASP A 18 2.742 0.968 -2.874 1.00 0.00 O ATOM 335 OD2 ASP A 18 2.020 2.817 -1.931 1.00 0.00 O ATOM 0 H ASP A 18 -0.127 -1.268 -3.434 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.451 0.930 -1.547 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.658 1.293 -4.359 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.002 2.597 -3.392 1.00 0.00 H new ATOM 340 N ASP A 19 -2.413 1.815 -3.197 1.00 0.00 N ATOM 341 CA ASP A 19 -3.760 1.958 -3.739 1.00 0.00 C ATOM 342 C ASP A 19 -3.911 1.165 -5.034 1.00 0.00 C ATOM 343 O ASP A 19 -4.976 0.616 -5.318 1.00 0.00 O ATOM 344 CB ASP A 19 -4.077 3.433 -3.990 1.00 0.00 C ATOM 345 CG ASP A 19 -3.312 3.998 -5.170 1.00 0.00 C ATOM 346 OD1 ASP A 19 -3.691 3.696 -6.321 1.00 0.00 O ATOM 347 OD2 ASP A 19 -2.334 4.740 -4.943 1.00 0.00 O ATOM 0 H ASP A 19 -2.011 2.679 -2.833 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.464 1.562 -3.007 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.147 3.547 -4.166 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -3.838 4.010 -3.096 1.00 0.00 H new ATOM 352 N LYS A 20 -2.839 1.111 -5.817 1.00 0.00 N ATOM 353 CA LYS A 20 -2.851 0.386 -7.082 1.00 0.00 C ATOM 354 C LYS A 20 -2.945 -1.118 -6.846 1.00 0.00 C ATOM 355 O LYS A 20 -3.909 -1.763 -7.261 1.00 0.00 O ATOM 356 CB LYS A 20 -1.592 0.708 -7.890 1.00 0.00 C ATOM 357 CG LYS A 20 -1.556 2.132 -8.418 1.00 0.00 C ATOM 358 CD LYS A 20 -0.891 3.076 -7.430 1.00 0.00 C ATOM 359 CE LYS A 20 -0.767 4.481 -7.999 1.00 0.00 C ATOM 360 NZ LYS A 20 0.293 4.567 -9.041 1.00 0.00 N ATOM 0 H LYS A 20 -1.950 1.561 -5.598 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.728 0.703 -7.646 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.716 0.539 -7.264 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.522 0.016 -8.729 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.017 2.156 -9.365 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.572 2.472 -8.620 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.470 3.106 -6.507 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.098 2.698 -7.173 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.722 4.785 -8.427 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.542 5.180 -7.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.428 5.560 -9.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.185 4.190 -8.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.008 4.011 -9.873 1.00 0.00 H new ATOM 374 N VAL A 21 -1.939 -1.672 -6.177 1.00 0.00 N ATOM 375 CA VAL A 21 -1.910 -3.100 -5.883 1.00 0.00 C ATOM 376 C VAL A 21 -3.190 -3.544 -5.186 1.00 0.00 C ATOM 377 O VAL A 21 -3.770 -4.576 -5.527 1.00 0.00 O ATOM 378 CB VAL A 21 -0.703 -3.467 -4.999 1.00 0.00 C ATOM 379 CG1 VAL A 21 -0.656 -4.967 -4.755 1.00 0.00 C ATOM 380 CG2 VAL A 21 0.591 -2.981 -5.636 1.00 0.00 C ATOM 0 H VAL A 21 -1.133 -1.153 -5.828 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.822 -3.618 -6.838 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.816 -2.970 -4.035 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.203 -5.207 -4.129 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.570 -5.283 -4.253 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.567 -5.488 -5.708 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.433 -3.249 -4.998 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.713 -3.448 -6.613 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.554 -1.898 -5.753 1.00 0.00 H new ATOM 390 N LEU A 22 -3.627 -2.759 -4.208 1.00 0.00 N ATOM 391 CA LEU A 22 -4.841 -3.070 -3.461 1.00 0.00 C ATOM 392 C LEU A 22 -6.070 -2.990 -4.361 1.00 0.00 C ATOM 393 O LEU A 22 -7.013 -3.768 -4.212 1.00 0.00 O ATOM 394 CB LEU A 22 -4.997 -2.110 -2.280 1.00 0.00 C ATOM 395 CG LEU A 22 -4.140 -2.414 -1.051 1.00 0.00 C ATOM 396 CD1 LEU A 22 -4.263 -1.298 -0.025 1.00 0.00 C ATOM 397 CD2 LEU A 22 -4.539 -3.749 -0.439 1.00 0.00 C ATOM 0 H LEU A 22 -3.159 -1.902 -3.913 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.755 -4.089 -3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.761 -1.103 -2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.044 -2.106 -1.976 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.098 -2.478 -1.366 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.646 -1.532 0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.928 -0.359 -0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.304 -1.202 0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.918 -3.949 0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.586 -3.713 -0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.398 -4.542 -1.173 1.00 0.00 H new ATOM 409 N HIS A 23 -6.051 -2.047 -5.297 1.00 0.00 N ATOM 410 CA HIS A 23 -7.163 -1.867 -6.225 1.00 0.00 C ATOM 411 C HIS A 23 -7.375 -3.121 -7.068 1.00 0.00 C ATOM 412 O HIS A 23 -8.478 -3.664 -7.124 1.00 0.00 O ATOM 413 CB HIS A 23 -6.908 -0.665 -7.133 1.00 0.00 C ATOM 414 CG HIS A 23 -7.766 -0.648 -8.360 1.00 0.00 C ATOM 415 ND1 HIS A 23 -7.557 -1.485 -9.437 1.00 0.00 N ATOM 416 CD2 HIS A 23 -8.842 0.109 -8.678 1.00 0.00 C ATOM 417 CE1 HIS A 23 -8.466 -1.242 -10.363 1.00 0.00 C ATOM 418 NE2 HIS A 23 -9.259 -0.279 -9.927 1.00 0.00 N ATOM 0 H HIS A 23 -5.278 -1.395 -5.434 1.00 0.00 H new ATOM 0 HA HIS A 23 -8.065 -1.686 -5.641 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.080 0.250 -6.567 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.860 -0.662 -7.433 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -9.289 0.876 -8.063 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -8.548 -1.745 -11.315 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -10.052 0.112 -10.436 1.00 0.00 H new ATOM 426 N ALA A 24 -6.311 -3.575 -7.722 1.00 0.00 N ATOM 427 CA ALA A 24 -6.380 -4.765 -8.561 1.00 0.00 C ATOM 428 C ALA A 24 -6.545 -6.024 -7.716 1.00 0.00 C ATOM 429 O ALA A 24 -6.914 -7.081 -8.226 1.00 0.00 O ATOM 430 CB ALA A 24 -5.136 -4.871 -9.431 1.00 0.00 C ATOM 0 H ALA A 24 -5.391 -3.137 -7.687 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.254 -4.674 -9.206 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.201 -5.764 -10.052 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.062 -3.990 -10.069 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.252 -4.935 -8.796 1.00 0.00 H new ATOM 436 N ALA A 25 -6.269 -5.902 -6.422 1.00 0.00 N ATOM 437 CA ALA A 25 -6.388 -7.030 -5.506 1.00 0.00 C ATOM 438 C ALA A 25 -7.793 -7.114 -4.918 1.00 0.00 C ATOM 439 O ALA A 25 -8.208 -8.162 -4.424 1.00 0.00 O ATOM 440 CB ALA A 25 -5.355 -6.919 -4.395 1.00 0.00 C ATOM 0 H ALA A 25 -5.961 -5.034 -5.984 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.203 -7.945 -6.069 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.456 -7.768 -3.719 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.354 -6.916 -4.827 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.514 -5.993 -3.842 1.00 0.00 H new ATOM 446 N PHE A 26 -8.520 -6.003 -4.974 1.00 0.00 N ATOM 447 CA PHE A 26 -9.878 -5.951 -4.446 1.00 0.00 C ATOM 448 C PHE A 26 -10.881 -5.643 -5.553 1.00 0.00 C ATOM 449 O PHE A 26 -12.084 -5.554 -5.308 1.00 0.00 O ATOM 450 CB PHE A 26 -9.978 -4.894 -3.343 1.00 0.00 C ATOM 451 CG PHE A 26 -9.368 -5.327 -2.041 1.00 0.00 C ATOM 452 CD1 PHE A 26 -8.081 -5.837 -1.999 1.00 0.00 C ATOM 453 CD2 PHE A 26 -10.083 -5.225 -0.858 1.00 0.00 C ATOM 454 CE1 PHE A 26 -7.516 -6.236 -0.802 1.00 0.00 C ATOM 455 CE2 PHE A 26 -9.523 -5.622 0.342 1.00 0.00 C ATOM 456 CZ PHE A 26 -8.239 -6.129 0.370 1.00 0.00 C ATOM 0 H PHE A 26 -8.191 -5.127 -5.380 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.116 -6.929 -4.027 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.486 -3.981 -3.680 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -11.027 -4.649 -3.180 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.512 -5.924 -2.913 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -11.088 -4.831 -0.874 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.511 -6.631 -0.783 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.090 -5.536 1.257 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.801 -6.441 1.306 1.00 0.00 H new ATOM 466 N ILE A 27 -10.377 -5.481 -6.772 1.00 0.00 N ATOM 467 CA ILE A 27 -11.228 -5.184 -7.917 1.00 0.00 C ATOM 468 C ILE A 27 -12.256 -6.288 -8.139 1.00 0.00 C ATOM 469 O ILE A 27 -13.372 -6.048 -8.601 1.00 0.00 O ATOM 470 CB ILE A 27 -10.399 -5.004 -9.203 1.00 0.00 C ATOM 471 CG1 ILE A 27 -11.200 -4.221 -10.246 1.00 0.00 C ATOM 472 CG2 ILE A 27 -9.979 -6.357 -9.756 1.00 0.00 C ATOM 473 CD1 ILE A 27 -11.419 -2.771 -9.876 1.00 0.00 C ATOM 0 H ILE A 27 -9.383 -5.551 -6.992 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.744 -4.250 -7.693 1.00 0.00 H new ATOM 0 HB ILE A 27 -9.500 -4.437 -8.962 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.680 -4.269 -11.203 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -12.168 -4.702 -10.385 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -9.394 -6.213 -10.664 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.375 -6.881 -9.015 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -10.866 -6.948 -9.985 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.993 -2.278 -10.660 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -11.966 -2.714 -8.935 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.455 -2.274 -9.765 1.00 0.00 H new ATOM 485 N PRO A 28 -11.874 -7.529 -7.802 1.00 0.00 N ATOM 486 CA PRO A 28 -12.749 -8.695 -7.953 1.00 0.00 C ATOM 487 C PRO A 28 -14.026 -8.573 -7.129 1.00 0.00 C ATOM 488 O PRO A 28 -15.131 -8.596 -7.672 1.00 0.00 O ATOM 489 CB PRO A 28 -11.890 -9.853 -7.437 1.00 0.00 C ATOM 490 CG PRO A 28 -10.488 -9.360 -7.542 1.00 0.00 C ATOM 491 CD PRO A 28 -10.559 -7.889 -7.246 1.00 0.00 C ATOM 0 HA PRO A 28 -13.085 -8.820 -8.982 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.144 -10.107 -6.408 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -12.039 -10.753 -8.034 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -9.837 -9.872 -6.833 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.081 -9.541 -8.537 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.498 -7.684 -6.177 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.749 -7.337 -7.723 1.00 0.00 H new ATOM 499 N PHE A 29 -13.868 -8.440 -5.816 1.00 0.00 N ATOM 500 CA PHE A 29 -15.010 -8.314 -4.918 1.00 0.00 C ATOM 501 C PHE A 29 -16.114 -7.477 -5.556 1.00 0.00 C ATOM 502 O PHE A 29 -17.199 -7.979 -5.848 1.00 0.00 O ATOM 503 CB PHE A 29 -14.576 -7.682 -3.593 1.00 0.00 C ATOM 504 CG PHE A 29 -13.621 -8.534 -2.807 1.00 0.00 C ATOM 505 CD1 PHE A 29 -14.041 -9.726 -2.240 1.00 0.00 C ATOM 506 CD2 PHE A 29 -12.303 -8.142 -2.634 1.00 0.00 C ATOM 507 CE1 PHE A 29 -13.165 -10.513 -1.516 1.00 0.00 C ATOM 508 CE2 PHE A 29 -11.422 -8.925 -1.912 1.00 0.00 C ATOM 509 CZ PHE A 29 -11.854 -10.111 -1.351 1.00 0.00 C ATOM 0 H PHE A 29 -12.961 -8.417 -5.351 1.00 0.00 H new ATOM 0 HA PHE A 29 -15.401 -9.313 -4.726 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -14.109 -6.718 -3.795 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -15.460 -7.487 -2.986 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -15.065 -10.044 -2.365 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -11.960 -7.214 -3.068 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.505 -11.441 -1.080 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.397 -8.610 -1.787 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.168 -10.723 -0.784 1.00 0.00 H new ATOM 519 N GLY A 30 -15.830 -6.195 -5.768 1.00 0.00 N ATOM 520 CA GLY A 30 -16.808 -5.308 -6.369 1.00 0.00 C ATOM 521 C GLY A 30 -16.169 -4.244 -7.239 1.00 0.00 C ATOM 522 O GLY A 30 -15.146 -4.487 -7.878 1.00 0.00 O ATOM 0 H GLY A 30 -14.940 -5.756 -5.534 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -17.504 -5.894 -6.969 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -17.390 -4.828 -5.582 1.00 0.00 H new ATOM 526 N ASP A 31 -16.774 -3.061 -7.264 1.00 0.00 N ATOM 527 CA ASP A 31 -16.258 -1.955 -8.062 1.00 0.00 C ATOM 528 C ASP A 31 -15.764 -0.823 -7.166 1.00 0.00 C ATOM 529 O ASP A 31 -16.531 0.063 -6.790 1.00 0.00 O ATOM 530 CB ASP A 31 -17.338 -1.436 -9.012 1.00 0.00 C ATOM 531 CG ASP A 31 -17.612 -2.393 -10.155 1.00 0.00 C ATOM 532 OD1 ASP A 31 -16.776 -2.469 -11.080 1.00 0.00 O ATOM 533 OD2 ASP A 31 -18.663 -3.068 -10.124 1.00 0.00 O ATOM 0 H ASP A 31 -17.622 -2.844 -6.741 1.00 0.00 H new ATOM 0 HA ASP A 31 -15.417 -2.324 -8.648 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -18.259 -1.268 -8.454 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -17.030 -0.471 -9.415 1.00 0.00 H new ATOM 538 N ILE A 32 -14.479 -0.861 -6.828 1.00 0.00 N ATOM 539 CA ILE A 32 -13.884 0.162 -5.977 1.00 0.00 C ATOM 540 C ILE A 32 -14.211 1.561 -6.487 1.00 0.00 C ATOM 541 O ILE A 32 -13.884 1.914 -7.621 1.00 0.00 O ATOM 542 CB ILE A 32 -12.354 0.004 -5.893 1.00 0.00 C ATOM 543 CG1 ILE A 32 -11.992 -1.373 -5.332 1.00 0.00 C ATOM 544 CG2 ILE A 32 -11.754 1.106 -5.033 1.00 0.00 C ATOM 545 CD1 ILE A 32 -10.535 -1.736 -5.514 1.00 0.00 C ATOM 0 H ILE A 32 -13.831 -1.588 -7.130 1.00 0.00 H new ATOM 0 HA ILE A 32 -14.311 0.032 -4.982 1.00 0.00 H new ATOM 0 HB ILE A 32 -11.939 0.087 -6.898 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -12.234 -1.399 -4.270 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -12.610 -2.128 -5.818 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.672 0.981 -4.983 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -11.987 2.077 -5.471 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -12.172 1.051 -4.028 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.351 -2.724 -5.093 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.292 -1.743 -6.576 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -9.911 -1.002 -5.004 1.00 0.00 H new ATOM 557 N THR A 33 -14.859 2.357 -5.642 1.00 0.00 N ATOM 558 CA THR A 33 -15.231 3.718 -6.006 1.00 0.00 C ATOM 559 C THR A 33 -14.062 4.678 -5.813 1.00 0.00 C ATOM 560 O THR A 33 -13.788 5.517 -6.670 1.00 0.00 O ATOM 561 CB THR A 33 -16.430 4.214 -5.176 1.00 0.00 C ATOM 562 OG1 THR A 33 -16.076 4.273 -3.790 1.00 0.00 O ATOM 563 CG2 THR A 33 -17.631 3.298 -5.359 1.00 0.00 C ATOM 0 H THR A 33 -15.137 2.082 -4.700 1.00 0.00 H new ATOM 0 HA THR A 33 -15.511 3.698 -7.059 1.00 0.00 H new ATOM 0 HB THR A 33 -16.697 5.211 -5.525 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.581 4.991 -3.354 1.00 0.00 H new ATOM 0 HG21 THR A 33 -18.465 3.668 -4.763 1.00 0.00 H new ATOM 0 HG22 THR A 33 -17.917 3.278 -6.411 1.00 0.00 H new ATOM 0 HG23 THR A 33 -17.373 2.290 -5.034 1.00 0.00 H new ATOM 571 N ASP A 34 -13.377 4.548 -4.682 1.00 0.00 N ATOM 572 CA ASP A 34 -12.236 5.403 -4.377 1.00 0.00 C ATOM 573 C ASP A 34 -11.368 4.782 -3.287 1.00 0.00 C ATOM 574 O ASP A 34 -11.859 4.039 -2.437 1.00 0.00 O ATOM 575 CB ASP A 34 -12.712 6.789 -3.939 1.00 0.00 C ATOM 576 CG ASP A 34 -13.664 7.416 -4.939 1.00 0.00 C ATOM 577 OD1 ASP A 34 -13.180 8.034 -5.910 1.00 0.00 O ATOM 578 OD2 ASP A 34 -14.892 7.290 -4.750 1.00 0.00 O ATOM 0 H ASP A 34 -13.592 3.859 -3.961 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.636 5.503 -5.282 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.206 6.711 -2.971 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.849 7.441 -3.805 1.00 0.00 H new ATOM 583 N ILE A 35 -10.076 5.091 -3.319 1.00 0.00 N ATOM 584 CA ILE A 35 -9.140 4.563 -2.334 1.00 0.00 C ATOM 585 C ILE A 35 -8.350 5.686 -1.670 1.00 0.00 C ATOM 586 O ILE A 35 -8.118 6.734 -2.272 1.00 0.00 O ATOM 587 CB ILE A 35 -8.156 3.565 -2.971 1.00 0.00 C ATOM 588 CG1 ILE A 35 -8.919 2.436 -3.667 1.00 0.00 C ATOM 589 CG2 ILE A 35 -7.214 3.003 -1.917 1.00 0.00 C ATOM 590 CD1 ILE A 35 -8.061 1.612 -4.601 1.00 0.00 C ATOM 0 H ILE A 35 -9.654 5.704 -4.016 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.733 4.044 -1.581 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.562 4.091 -3.718 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.351 1.781 -2.911 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.749 2.863 -4.231 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.525 2.299 -2.383 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.649 3.817 -1.463 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.792 2.490 -1.149 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.668 0.831 -5.059 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.650 2.255 -5.379 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.246 1.156 -4.039 1.00 0.00 H new ATOM 602 N GLN A 36 -7.937 5.457 -0.428 1.00 0.00 N ATOM 603 CA GLN A 36 -7.171 6.449 0.317 1.00 0.00 C ATOM 604 C GLN A 36 -5.928 5.822 0.940 1.00 0.00 C ATOM 605 O GLN A 36 -6.011 4.795 1.613 1.00 0.00 O ATOM 606 CB GLN A 36 -8.039 7.081 1.407 1.00 0.00 C ATOM 607 CG GLN A 36 -8.849 8.274 0.925 1.00 0.00 C ATOM 608 CD GLN A 36 -9.390 8.083 -0.478 1.00 0.00 C ATOM 609 OE1 GLN A 36 -9.018 8.806 -1.403 1.00 0.00 O ATOM 610 NE2 GLN A 36 -10.272 7.105 -0.645 1.00 0.00 N ATOM 0 H GLN A 36 -8.120 4.594 0.084 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.854 7.224 -0.380 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.719 6.326 1.801 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.400 7.396 2.232 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.679 8.446 1.610 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.224 9.167 0.951 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.552 6.530 0.149 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.669 6.929 -1.568 1.00 0.00 H new ATOM 619 N ILE A 37 -4.778 6.447 0.711 1.00 0.00 N ATOM 620 CA ILE A 37 -3.519 5.950 1.250 1.00 0.00 C ATOM 621 C ILE A 37 -2.876 6.975 2.178 1.00 0.00 C ATOM 622 O ILE A 37 -2.548 8.092 1.778 1.00 0.00 O ATOM 623 CB ILE A 37 -2.526 5.597 0.127 1.00 0.00 C ATOM 624 CG1 ILE A 37 -3.121 4.530 -0.794 1.00 0.00 C ATOM 625 CG2 ILE A 37 -1.207 5.120 0.717 1.00 0.00 C ATOM 626 CD1 ILE A 37 -3.353 3.202 -0.108 1.00 0.00 C ATOM 0 H ILE A 37 -4.693 7.298 0.156 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.752 5.047 1.815 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.335 6.493 -0.463 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.068 4.894 -1.194 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.453 4.380 -1.642 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.516 4.874 -0.089 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.778 5.909 1.335 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.381 4.235 1.328 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.776 2.494 -0.820 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.405 2.816 0.268 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.045 3.338 0.723 1.00 0.00 H new ATOM 638 N PRO A 38 -2.689 6.587 3.449 1.00 0.00 N ATOM 639 CA PRO A 38 -2.081 7.456 4.461 1.00 0.00 C ATOM 640 C PRO A 38 -0.595 7.687 4.209 1.00 0.00 C ATOM 641 O PRO A 38 0.193 6.742 4.175 1.00 0.00 O ATOM 642 CB PRO A 38 -2.290 6.682 5.765 1.00 0.00 C ATOM 643 CG PRO A 38 -2.396 5.256 5.346 1.00 0.00 C ATOM 644 CD PRO A 38 -3.056 5.270 3.995 1.00 0.00 C ATOM 0 HA PRO A 38 -2.526 8.451 4.465 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.457 6.832 6.452 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.192 7.011 6.281 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -1.412 4.790 5.295 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.984 4.681 6.062 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.695 4.458 3.363 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.137 5.155 4.075 1.00 0.00 H new ATOM 652 N LEU A 39 -0.219 8.949 4.035 1.00 0.00 N ATOM 653 CA LEU A 39 1.174 9.305 3.788 1.00 0.00 C ATOM 654 C LEU A 39 1.550 10.583 4.531 1.00 0.00 C ATOM 655 O LEU A 39 0.681 11.332 4.976 1.00 0.00 O ATOM 656 CB LEU A 39 1.417 9.483 2.288 1.00 0.00 C ATOM 657 CG LEU A 39 0.885 8.370 1.385 1.00 0.00 C ATOM 658 CD1 LEU A 39 0.843 8.831 -0.064 1.00 0.00 C ATOM 659 CD2 LEU A 39 1.738 7.118 1.523 1.00 0.00 C ATOM 0 H LEU A 39 -0.859 9.743 4.060 1.00 0.00 H new ATOM 0 HA LEU A 39 1.801 8.494 4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.964 10.424 1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.490 9.576 2.123 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.131 8.130 1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.462 8.025 -0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.189 9.699 -0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.848 9.100 -0.390 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.345 6.336 0.873 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.765 7.344 1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.716 6.775 2.557 1.00 0.00 H new ATOM 671 N ASP A 40 2.850 10.826 4.658 1.00 0.00 N ATOM 672 CA ASP A 40 3.341 12.015 5.344 1.00 0.00 C ATOM 673 C ASP A 40 3.602 13.145 4.353 1.00 0.00 C ATOM 674 O ASP A 40 3.346 13.007 3.157 1.00 0.00 O ATOM 675 CB ASP A 40 4.621 11.692 6.117 1.00 0.00 C ATOM 676 CG ASP A 40 4.799 12.574 7.337 1.00 0.00 C ATOM 677 OD1 ASP A 40 3.795 12.836 8.031 1.00 0.00 O ATOM 678 OD2 ASP A 40 5.943 13.003 7.598 1.00 0.00 O ATOM 0 H ASP A 40 3.582 10.216 4.295 1.00 0.00 H new ATOM 0 HA ASP A 40 2.574 12.342 6.047 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.601 10.647 6.427 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.480 11.812 5.457 1.00 0.00 H new ATOM 683 N TYR A 41 4.112 14.263 4.859 1.00 0.00 N ATOM 684 CA TYR A 41 4.404 15.418 4.019 1.00 0.00 C ATOM 685 C TYR A 41 5.906 15.557 3.787 1.00 0.00 C ATOM 686 O TYR A 41 6.343 16.313 2.920 1.00 0.00 O ATOM 687 CB TYR A 41 3.856 16.694 4.661 1.00 0.00 C ATOM 688 CG TYR A 41 3.988 16.719 6.167 1.00 0.00 C ATOM 689 CD1 TYR A 41 3.195 15.906 6.967 1.00 0.00 C ATOM 690 CD2 TYR A 41 4.906 17.555 6.790 1.00 0.00 C ATOM 691 CE1 TYR A 41 3.311 15.926 8.344 1.00 0.00 C ATOM 692 CE2 TYR A 41 5.031 17.581 8.165 1.00 0.00 C ATOM 693 CZ TYR A 41 4.231 16.765 8.938 1.00 0.00 C ATOM 694 OH TYR A 41 4.351 16.788 10.308 1.00 0.00 O ATOM 0 H TYR A 41 4.331 14.393 5.847 1.00 0.00 H new ATOM 0 HA TYR A 41 3.918 15.266 3.055 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.380 17.554 4.244 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.804 16.802 4.395 1.00 0.00 H new ATOM 0 HD1 TYR A 41 2.475 15.247 6.505 1.00 0.00 H new ATOM 0 HD2 TYR A 41 5.533 18.196 6.188 1.00 0.00 H new ATOM 0 HE1 TYR A 41 2.685 15.289 8.951 1.00 0.00 H new ATOM 0 HE2 TYR A 41 5.751 18.236 8.633 1.00 0.00 H new ATOM 0 HH TYR A 41 5.044 17.431 10.565 1.00 0.00 H new ATOM 704 N GLU A 42 6.690 14.821 4.569 1.00 0.00 N ATOM 705 CA GLU A 42 8.142 14.862 4.449 1.00 0.00 C ATOM 706 C GLU A 42 8.675 13.565 3.847 1.00 0.00 C ATOM 707 O GLU A 42 9.791 13.520 3.327 1.00 0.00 O ATOM 708 CB GLU A 42 8.782 15.103 5.818 1.00 0.00 C ATOM 709 CG GLU A 42 8.723 16.552 6.272 1.00 0.00 C ATOM 710 CD GLU A 42 9.933 17.352 5.830 1.00 0.00 C ATOM 711 OE1 GLU A 42 10.412 17.128 4.698 1.00 0.00 O ATOM 712 OE2 GLU A 42 10.401 18.202 6.616 1.00 0.00 O ATOM 0 H GLU A 42 6.344 14.190 5.292 1.00 0.00 H new ATOM 0 HA GLU A 42 8.403 15.685 3.784 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.282 14.479 6.558 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.824 14.784 5.784 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.820 17.017 5.875 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.647 16.585 7.359 1.00 0.00 H new ATOM 719 N THR A 43 7.870 12.510 3.922 1.00 0.00 N ATOM 720 CA THR A 43 8.260 11.211 3.387 1.00 0.00 C ATOM 721 C THR A 43 7.239 10.705 2.375 1.00 0.00 C ATOM 722 O THR A 43 7.574 9.937 1.474 1.00 0.00 O ATOM 723 CB THR A 43 8.417 10.166 4.508 1.00 0.00 C ATOM 724 OG1 THR A 43 7.223 10.109 5.296 1.00 0.00 O ATOM 725 CG2 THR A 43 9.604 10.503 5.399 1.00 0.00 C ATOM 0 H THR A 43 6.944 12.530 4.348 1.00 0.00 H new ATOM 0 HA THR A 43 9.221 11.348 2.892 1.00 0.00 H new ATOM 0 HB THR A 43 8.593 9.194 4.047 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.331 9.441 6.005 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.695 9.752 6.183 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.515 10.516 4.801 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.453 11.483 5.851 1.00 0.00 H new ATOM 733 N GLU A 44 5.992 11.140 2.530 1.00 0.00 N ATOM 734 CA GLU A 44 4.923 10.730 1.629 1.00 0.00 C ATOM 735 C GLU A 44 4.943 9.219 1.413 1.00 0.00 C ATOM 736 O GLU A 44 4.560 8.726 0.352 1.00 0.00 O ATOM 737 CB GLU A 44 5.054 11.449 0.285 1.00 0.00 C ATOM 738 CG GLU A 44 4.682 12.921 0.344 1.00 0.00 C ATOM 739 CD GLU A 44 3.207 13.161 0.091 1.00 0.00 C ATOM 740 OE1 GLU A 44 2.566 12.302 -0.549 1.00 0.00 O ATOM 741 OE2 GLU A 44 2.692 14.210 0.534 1.00 0.00 O ATOM 0 H GLU A 44 5.698 11.776 3.271 1.00 0.00 H new ATOM 0 HA GLU A 44 3.972 11.002 2.088 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.081 11.356 -0.069 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.418 10.951 -0.447 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.948 13.320 1.323 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.267 13.470 -0.394 1.00 0.00 H new ATOM 748 N LYS A 45 5.392 8.489 2.428 1.00 0.00 N ATOM 749 CA LYS A 45 5.462 7.034 2.353 1.00 0.00 C ATOM 750 C LYS A 45 4.531 6.391 3.375 1.00 0.00 C ATOM 751 O LYS A 45 4.347 6.910 4.476 1.00 0.00 O ATOM 752 CB LYS A 45 6.899 6.560 2.587 1.00 0.00 C ATOM 753 CG LYS A 45 7.294 6.518 4.052 1.00 0.00 C ATOM 754 CD LYS A 45 8.589 5.750 4.258 1.00 0.00 C ATOM 755 CE LYS A 45 9.106 5.900 5.681 1.00 0.00 C ATOM 756 NZ LYS A 45 8.469 4.924 6.608 1.00 0.00 N ATOM 0 H LYS A 45 5.713 8.881 3.313 1.00 0.00 H new ATOM 0 HA LYS A 45 5.143 6.730 1.356 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.019 5.565 2.158 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.582 7.221 2.054 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.409 7.535 4.428 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.497 6.052 4.632 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.426 4.695 4.038 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.342 6.109 3.556 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.187 5.759 5.692 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.913 6.914 6.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.848 5.058 7.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.440 5.075 6.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.674 3.956 6.287 1.00 0.00 H new ATOM 770 N HIS A 46 3.945 5.257 3.003 1.00 0.00 N ATOM 771 CA HIS A 46 3.034 4.541 3.889 1.00 0.00 C ATOM 772 C HIS A 46 3.779 3.482 4.695 1.00 0.00 C ATOM 773 O HIS A 46 4.895 3.095 4.348 1.00 0.00 O ATOM 774 CB HIS A 46 1.912 3.888 3.081 1.00 0.00 C ATOM 775 CG HIS A 46 2.250 2.516 2.586 1.00 0.00 C ATOM 776 ND1 HIS A 46 2.586 1.474 3.426 1.00 0.00 N ATOM 777 CD2 HIS A 46 2.302 2.016 1.330 1.00 0.00 C ATOM 778 CE1 HIS A 46 2.831 0.394 2.707 1.00 0.00 C ATOM 779 NE2 HIS A 46 2.666 0.695 1.431 1.00 0.00 N ATOM 0 H HIS A 46 4.085 4.815 2.095 1.00 0.00 H new ATOM 0 HA HIS A 46 2.601 5.261 4.583 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.016 3.832 3.699 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.672 4.524 2.229 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.096 2.555 0.417 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.118 -0.572 3.096 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.789 0.052 0.649 1.00 0.00 H new ATOM 787 N ARG A 47 3.155 3.017 5.772 1.00 0.00 N ATOM 788 CA ARG A 47 3.761 2.004 6.628 1.00 0.00 C ATOM 789 C ARG A 47 3.302 0.606 6.224 1.00 0.00 C ATOM 790 O ARG A 47 4.118 -0.296 6.038 1.00 0.00 O ATOM 791 CB ARG A 47 3.405 2.265 8.093 1.00 0.00 C ATOM 792 CG ARG A 47 4.270 3.328 8.750 1.00 0.00 C ATOM 793 CD ARG A 47 4.105 3.326 10.261 1.00 0.00 C ATOM 794 NE ARG A 47 4.980 2.351 10.906 1.00 0.00 N ATOM 795 CZ ARG A 47 4.857 1.978 12.175 1.00 0.00 C ATOM 796 NH1 ARG A 47 3.898 2.495 12.931 1.00 0.00 N ATOM 797 NH2 ARG A 47 5.692 1.085 12.690 1.00 0.00 N ATOM 0 H ARG A 47 2.230 3.325 6.073 1.00 0.00 H new ATOM 0 HA ARG A 47 4.843 2.062 6.508 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.360 2.569 8.156 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.500 1.334 8.653 1.00 0.00 H new ATOM 0 HG2 ARG A 47 5.316 3.155 8.497 1.00 0.00 H new ATOM 0 HG3 ARG A 47 4.005 4.309 8.355 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.321 4.321 10.651 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.068 3.104 10.512 1.00 0.00 H new ATOM 0 HE ARG A 47 5.727 1.933 10.351 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.253 3.181 12.538 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.805 2.207 13.905 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.430 0.684 12.111 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.596 0.800 13.665 1.00 0.00 H new ATOM 811 N GLY A 48 1.991 0.434 6.090 1.00 0.00 N ATOM 812 CA GLY A 48 1.447 -0.857 5.710 1.00 0.00 C ATOM 813 C GLY A 48 -0.036 -0.971 6.004 1.00 0.00 C ATOM 814 O GLY A 48 -0.470 -1.892 6.696 1.00 0.00 O ATOM 0 H GLY A 48 1.296 1.165 6.238 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.617 -1.020 4.646 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.981 -1.644 6.242 1.00 0.00 H new ATOM 818 N PHE A 49 -0.816 -0.031 5.479 1.00 0.00 N ATOM 819 CA PHE A 49 -2.258 -0.029 5.692 1.00 0.00 C ATOM 820 C PHE A 49 -2.930 1.053 4.851 1.00 0.00 C ATOM 821 O PHE A 49 -2.288 2.016 4.431 1.00 0.00 O ATOM 822 CB PHE A 49 -2.577 0.189 7.172 1.00 0.00 C ATOM 823 CG PHE A 49 -2.101 1.512 7.700 1.00 0.00 C ATOM 824 CD1 PHE A 49 -0.814 1.653 8.195 1.00 0.00 C ATOM 825 CD2 PHE A 49 -2.940 2.615 7.700 1.00 0.00 C ATOM 826 CE1 PHE A 49 -0.374 2.870 8.681 1.00 0.00 C ATOM 827 CE2 PHE A 49 -2.505 3.834 8.185 1.00 0.00 C ATOM 828 CZ PHE A 49 -1.220 3.962 8.675 1.00 0.00 C ATOM 0 H PHE A 49 -0.473 0.738 4.904 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.647 -0.999 5.383 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.655 0.115 7.318 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -2.121 -0.611 7.755 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.148 0.803 8.201 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.945 2.521 7.317 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.631 2.967 9.065 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.169 4.686 8.181 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.877 4.914 9.053 1.00 0.00 H new ATOM 838 N ALA A 50 -4.226 0.888 4.610 1.00 0.00 N ATOM 839 CA ALA A 50 -4.986 1.850 3.821 1.00 0.00 C ATOM 840 C ALA A 50 -6.485 1.611 3.960 1.00 0.00 C ATOM 841 O ALA A 50 -6.919 0.742 4.716 1.00 0.00 O ATOM 842 CB ALA A 50 -4.570 1.779 2.359 1.00 0.00 C ATOM 0 H ALA A 50 -4.772 0.097 4.950 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.768 2.848 4.201 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.145 2.503 1.781 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.508 2.007 2.271 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.758 0.776 1.975 1.00 0.00 H new ATOM 848 N PHE A 51 -7.274 2.388 3.224 1.00 0.00 N ATOM 849 CA PHE A 51 -8.726 2.262 3.266 1.00 0.00 C ATOM 850 C PHE A 51 -9.305 2.165 1.858 1.00 0.00 C ATOM 851 O PHE A 51 -8.985 2.974 0.987 1.00 0.00 O ATOM 852 CB PHE A 51 -9.342 3.454 4.002 1.00 0.00 C ATOM 853 CG PHE A 51 -8.824 3.627 5.402 1.00 0.00 C ATOM 854 CD1 PHE A 51 -7.626 4.282 5.635 1.00 0.00 C ATOM 855 CD2 PHE A 51 -9.536 3.134 6.483 1.00 0.00 C ATOM 856 CE1 PHE A 51 -7.147 4.443 6.921 1.00 0.00 C ATOM 857 CE2 PHE A 51 -9.062 3.293 7.772 1.00 0.00 C ATOM 858 CZ PHE A 51 -7.865 3.947 7.991 1.00 0.00 C ATOM 0 H PHE A 51 -6.932 3.111 2.592 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.970 1.346 3.804 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -9.143 4.363 3.435 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -10.424 3.330 4.036 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -7.060 4.671 4.802 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -10.471 2.620 6.317 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -6.212 4.956 7.089 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -9.627 2.906 8.607 1.00 0.00 H new ATOM 0 HZ PHE A 51 -7.492 4.070 8.997 1.00 0.00 H new ATOM 868 N VAL A 52 -10.157 1.169 1.642 1.00 0.00 N ATOM 869 CA VAL A 52 -10.782 0.965 0.340 1.00 0.00 C ATOM 870 C VAL A 52 -12.295 1.132 0.424 1.00 0.00 C ATOM 871 O VAL A 52 -12.940 0.586 1.318 1.00 0.00 O ATOM 872 CB VAL A 52 -10.461 -0.432 -0.224 1.00 0.00 C ATOM 873 CG1 VAL A 52 -11.126 -0.626 -1.578 1.00 0.00 C ATOM 874 CG2 VAL A 52 -8.956 -0.632 -0.326 1.00 0.00 C ATOM 0 H VAL A 52 -10.431 0.490 2.352 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.373 1.722 -0.329 1.00 0.00 H new ATOM 0 HB VAL A 52 -10.858 -1.182 0.460 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -10.888 -1.618 -1.961 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.206 -0.528 -1.470 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.761 0.129 -2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -8.747 -1.624 -0.726 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.533 0.123 -0.988 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.509 -0.538 0.664 1.00 0.00 H new ATOM 884 N GLU A 53 -12.854 1.890 -0.514 1.00 0.00 N ATOM 885 CA GLU A 53 -14.292 2.129 -0.545 1.00 0.00 C ATOM 886 C GLU A 53 -14.977 1.199 -1.543 1.00 0.00 C ATOM 887 O GLU A 53 -14.514 1.032 -2.672 1.00 0.00 O ATOM 888 CB GLU A 53 -14.582 3.587 -0.909 1.00 0.00 C ATOM 889 CG GLU A 53 -15.986 4.038 -0.543 1.00 0.00 C ATOM 890 CD GLU A 53 -16.122 5.548 -0.507 1.00 0.00 C ATOM 891 OE1 GLU A 53 -15.406 6.188 0.291 1.00 0.00 O ATOM 892 OE2 GLU A 53 -16.944 6.088 -1.276 1.00 0.00 O ATOM 0 H GLU A 53 -12.334 2.349 -1.262 1.00 0.00 H new ATOM 0 HA GLU A 53 -14.689 1.924 0.449 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.860 4.229 -0.404 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.434 3.722 -1.980 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -16.694 3.630 -1.264 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -16.252 3.629 0.432 1.00 0.00 H new ATOM 899 N PHE A 54 -16.081 0.594 -1.118 1.00 0.00 N ATOM 900 CA PHE A 54 -16.829 -0.320 -1.972 1.00 0.00 C ATOM 901 C PHE A 54 -18.115 0.331 -2.472 1.00 0.00 C ATOM 902 O PHE A 54 -18.718 1.150 -1.779 1.00 0.00 O ATOM 903 CB PHE A 54 -17.158 -1.607 -1.212 1.00 0.00 C ATOM 904 CG PHE A 54 -16.013 -2.577 -1.151 1.00 0.00 C ATOM 905 CD1 PHE A 54 -14.756 -2.160 -0.743 1.00 0.00 C ATOM 906 CD2 PHE A 54 -16.193 -3.905 -1.501 1.00 0.00 C ATOM 907 CE1 PHE A 54 -13.700 -3.049 -0.685 1.00 0.00 C ATOM 908 CE2 PHE A 54 -15.140 -4.799 -1.445 1.00 0.00 C ATOM 909 CZ PHE A 54 -13.892 -4.371 -1.037 1.00 0.00 C ATOM 0 H PHE A 54 -16.477 0.720 -0.187 1.00 0.00 H new ATOM 0 HA PHE A 54 -16.207 -0.563 -2.834 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -17.462 -1.352 -0.197 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -18.010 -2.093 -1.688 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -14.600 -1.128 -0.467 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -17.167 -4.246 -1.821 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.726 -2.711 -0.365 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -15.293 -5.832 -1.720 1.00 0.00 H new ATOM 0 HZ PHE A 54 -13.068 -5.068 -0.993 1.00 0.00 H new ATOM 919 N GLU A 55 -18.528 -0.039 -3.680 1.00 0.00 N ATOM 920 CA GLU A 55 -19.742 0.510 -4.274 1.00 0.00 C ATOM 921 C GLU A 55 -20.947 0.268 -3.370 1.00 0.00 C ATOM 922 O GLU A 55 -21.840 1.110 -3.267 1.00 0.00 O ATOM 923 CB GLU A 55 -19.989 -0.110 -5.650 1.00 0.00 C ATOM 924 CG GLU A 55 -20.864 0.742 -6.554 1.00 0.00 C ATOM 925 CD GLU A 55 -20.737 0.363 -8.016 1.00 0.00 C ATOM 926 OE1 GLU A 55 -21.353 -0.644 -8.424 1.00 0.00 O ATOM 927 OE2 GLU A 55 -20.020 1.073 -8.753 1.00 0.00 O ATOM 0 H GLU A 55 -18.040 -0.716 -4.266 1.00 0.00 H new ATOM 0 HA GLU A 55 -19.606 1.585 -4.388 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -19.030 -0.279 -6.140 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -20.457 -1.086 -5.521 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -21.905 0.641 -6.246 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -20.595 1.791 -6.430 1.00 0.00 H new ATOM 934 N LEU A 56 -20.967 -0.890 -2.718 1.00 0.00 N ATOM 935 CA LEU A 56 -22.063 -1.245 -1.823 1.00 0.00 C ATOM 936 C LEU A 56 -21.532 -1.727 -0.477 1.00 0.00 C ATOM 937 O LEU A 56 -20.346 -2.026 -0.337 1.00 0.00 O ATOM 938 CB LEU A 56 -22.934 -2.330 -2.458 1.00 0.00 C ATOM 939 CG LEU A 56 -23.551 -1.986 -3.815 1.00 0.00 C ATOM 940 CD1 LEU A 56 -24.071 -3.241 -4.498 1.00 0.00 C ATOM 941 CD2 LEU A 56 -24.668 -0.966 -3.649 1.00 0.00 C ATOM 0 H LEU A 56 -20.237 -1.599 -2.792 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.667 -0.353 -1.656 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -22.331 -3.231 -2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.740 -2.572 -1.766 1.00 0.00 H new ATOM 0 HG LEU A 56 -22.776 -1.548 -4.445 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -24.506 -2.977 -5.462 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -23.248 -3.940 -4.651 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.832 -3.707 -3.872 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -25.096 -0.733 -4.624 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -25.443 -1.377 -3.002 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -24.267 -0.056 -3.202 1.00 0.00 H new ATOM 953 N ALA A 57 -22.418 -1.803 0.510 1.00 0.00 N ATOM 954 CA ALA A 57 -22.040 -2.253 1.844 1.00 0.00 C ATOM 955 C ALA A 57 -21.851 -3.766 1.880 1.00 0.00 C ATOM 956 O ALA A 57 -20.858 -4.263 2.409 1.00 0.00 O ATOM 957 CB ALA A 57 -23.087 -1.826 2.862 1.00 0.00 C ATOM 0 H ALA A 57 -23.403 -1.559 0.411 1.00 0.00 H new ATOM 0 HA ALA A 57 -21.088 -1.788 2.101 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -22.791 -2.169 3.854 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -23.171 -0.739 2.864 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -24.050 -2.264 2.599 1.00 0.00 H new ATOM 963 N GLU A 58 -22.811 -4.491 1.315 1.00 0.00 N ATOM 964 CA GLU A 58 -22.750 -5.948 1.284 1.00 0.00 C ATOM 965 C GLU A 58 -21.436 -6.424 0.672 1.00 0.00 C ATOM 966 O GLU A 58 -20.799 -7.347 1.181 1.00 0.00 O ATOM 967 CB GLU A 58 -23.929 -6.514 0.492 1.00 0.00 C ATOM 968 CG GLU A 58 -24.018 -5.984 -0.930 1.00 0.00 C ATOM 969 CD GLU A 58 -25.189 -6.566 -1.698 1.00 0.00 C ATOM 970 OE1 GLU A 58 -25.204 -7.795 -1.915 1.00 0.00 O ATOM 971 OE2 GLU A 58 -26.090 -5.791 -2.081 1.00 0.00 O ATOM 0 H GLU A 58 -23.640 -4.094 0.873 1.00 0.00 H new ATOM 0 HA GLU A 58 -22.805 -6.310 2.311 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -23.847 -7.600 0.461 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -24.855 -6.279 1.017 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -24.109 -4.898 -0.904 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -23.092 -6.213 -1.458 1.00 0.00 H new ATOM 978 N ASP A 59 -21.036 -5.789 -0.424 1.00 0.00 N ATOM 979 CA ASP A 59 -19.798 -6.146 -1.107 1.00 0.00 C ATOM 980 C ASP A 59 -18.604 -6.024 -0.166 1.00 0.00 C ATOM 981 O ASP A 59 -17.724 -6.884 -0.149 1.00 0.00 O ATOM 982 CB ASP A 59 -19.591 -5.255 -2.333 1.00 0.00 C ATOM 983 CG ASP A 59 -20.605 -5.530 -3.426 1.00 0.00 C ATOM 984 OD1 ASP A 59 -21.155 -6.651 -3.458 1.00 0.00 O ATOM 985 OD2 ASP A 59 -20.849 -4.623 -4.249 1.00 0.00 O ATOM 0 H ASP A 59 -21.551 -5.024 -0.859 1.00 0.00 H new ATOM 0 HA ASP A 59 -19.877 -7.184 -1.432 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -19.658 -4.209 -2.034 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -18.586 -5.410 -2.726 1.00 0.00 H new ATOM 990 N ALA A 60 -18.580 -4.948 0.614 1.00 0.00 N ATOM 991 CA ALA A 60 -17.494 -4.714 1.558 1.00 0.00 C ATOM 992 C ALA A 60 -17.424 -5.824 2.602 1.00 0.00 C ATOM 993 O ALA A 60 -16.362 -6.396 2.843 1.00 0.00 O ATOM 994 CB ALA A 60 -17.665 -3.362 2.234 1.00 0.00 C ATOM 0 H ALA A 60 -19.300 -4.225 0.611 1.00 0.00 H new ATOM 0 HA ALA A 60 -16.556 -4.715 1.002 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -16.847 -3.200 2.936 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -17.657 -2.575 1.480 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -18.614 -3.341 2.771 1.00 0.00 H new ATOM 1000 N ALA A 61 -18.563 -6.123 3.218 1.00 0.00 N ATOM 1001 CA ALA A 61 -18.631 -7.165 4.234 1.00 0.00 C ATOM 1002 C ALA A 61 -18.070 -8.482 3.708 1.00 0.00 C ATOM 1003 O ALA A 61 -17.292 -9.152 4.387 1.00 0.00 O ATOM 1004 CB ALA A 61 -20.066 -7.351 4.705 1.00 0.00 C ATOM 0 H ALA A 61 -19.451 -5.658 3.031 1.00 0.00 H new ATOM 0 HA ALA A 61 -18.020 -6.852 5.081 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -20.101 -8.133 5.464 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -20.434 -6.417 5.129 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -20.692 -7.637 3.860 1.00 0.00 H new ATOM 1010 N ALA A 62 -18.472 -8.849 2.495 1.00 0.00 N ATOM 1011 CA ALA A 62 -18.008 -10.085 1.878 1.00 0.00 C ATOM 1012 C ALA A 62 -16.497 -10.063 1.673 1.00 0.00 C ATOM 1013 O ALA A 62 -15.827 -11.086 1.811 1.00 0.00 O ATOM 1014 CB ALA A 62 -18.719 -10.312 0.553 1.00 0.00 C ATOM 0 H ALA A 62 -19.118 -8.308 1.921 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.245 -10.909 2.551 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -18.363 -11.239 0.103 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -19.793 -10.381 0.724 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -18.511 -9.479 -0.119 1.00 0.00 H new ATOM 1020 N ALA A 63 -15.967 -8.890 1.341 1.00 0.00 N ATOM 1021 CA ALA A 63 -14.535 -8.736 1.118 1.00 0.00 C ATOM 1022 C ALA A 63 -13.745 -9.044 2.385 1.00 0.00 C ATOM 1023 O ALA A 63 -12.710 -9.709 2.336 1.00 0.00 O ATOM 1024 CB ALA A 63 -14.226 -7.328 0.630 1.00 0.00 C ATOM 0 H ALA A 63 -16.508 -8.033 1.221 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.233 -9.450 0.351 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -13.153 -7.227 0.467 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.754 -7.143 -0.306 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.550 -6.604 1.378 1.00 0.00 H new ATOM 1030 N ILE A 64 -14.239 -8.556 3.518 1.00 0.00 N ATOM 1031 CA ILE A 64 -13.579 -8.780 4.798 1.00 0.00 C ATOM 1032 C ILE A 64 -13.579 -10.260 5.165 1.00 0.00 C ATOM 1033 O ILE A 64 -12.522 -10.872 5.320 1.00 0.00 O ATOM 1034 CB ILE A 64 -14.256 -7.982 5.928 1.00 0.00 C ATOM 1035 CG1 ILE A 64 -14.236 -6.486 5.609 1.00 0.00 C ATOM 1036 CG2 ILE A 64 -13.567 -8.256 7.256 1.00 0.00 C ATOM 1037 CD1 ILE A 64 -15.035 -5.650 6.584 1.00 0.00 C ATOM 0 H ILE A 64 -15.094 -8.003 3.575 1.00 0.00 H new ATOM 0 HA ILE A 64 -12.551 -8.436 4.687 1.00 0.00 H new ATOM 0 HB ILE A 64 -15.295 -8.303 6.007 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -13.203 -6.137 5.605 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -14.628 -6.332 4.604 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -14.057 -7.685 8.045 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -13.630 -9.320 7.486 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -12.520 -7.960 7.191 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -14.976 -4.600 6.297 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -16.076 -5.972 6.571 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -14.629 -5.775 7.588 1.00 0.00 H new ATOM 1049 N ASP A 65 -14.771 -10.830 5.300 1.00 0.00 N ATOM 1050 CA ASP A 65 -14.910 -12.240 5.645 1.00 0.00 C ATOM 1051 C ASP A 65 -13.870 -13.083 4.914 1.00 0.00 C ATOM 1052 O ASP A 65 -13.457 -14.136 5.400 1.00 0.00 O ATOM 1053 CB ASP A 65 -16.317 -12.735 5.305 1.00 0.00 C ATOM 1054 CG ASP A 65 -16.633 -14.070 5.951 1.00 0.00 C ATOM 1055 OD1 ASP A 65 -16.432 -14.199 7.177 1.00 0.00 O ATOM 1056 OD2 ASP A 65 -17.082 -14.985 5.230 1.00 0.00 O ATOM 0 H ASP A 65 -15.655 -10.337 5.176 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.747 -12.344 6.718 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -17.048 -11.995 5.631 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -16.416 -12.826 4.223 1.00 0.00 H new ATOM 1061 N ASN A 66 -13.452 -12.614 3.743 1.00 0.00 N ATOM 1062 CA ASN A 66 -12.461 -13.326 2.944 1.00 0.00 C ATOM 1063 C ASN A 66 -11.068 -12.742 3.158 1.00 0.00 C ATOM 1064 O ASN A 66 -10.213 -13.366 3.786 1.00 0.00 O ATOM 1065 CB ASN A 66 -12.831 -13.261 1.460 1.00 0.00 C ATOM 1066 CG ASN A 66 -13.981 -14.186 1.110 1.00 0.00 C ATOM 1067 OD1 ASN A 66 -13.816 -15.137 0.345 1.00 0.00 O ATOM 1068 ND2 ASN A 66 -15.153 -13.911 1.670 1.00 0.00 N ATOM 0 H ASN A 66 -13.784 -11.744 3.326 1.00 0.00 H new ATOM 0 HA ASN A 66 -12.452 -14.368 3.265 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -13.100 -12.237 1.200 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -11.960 -13.525 0.859 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -15.963 -14.498 1.472 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -15.243 -13.112 2.298 1.00 0.00 H new ATOM 1075 N MET A 67 -10.848 -11.542 2.632 1.00 0.00 N ATOM 1076 CA MET A 67 -9.559 -10.874 2.767 1.00 0.00 C ATOM 1077 C MET A 67 -8.979 -11.088 4.162 1.00 0.00 C ATOM 1078 O MET A 67 -7.836 -11.519 4.309 1.00 0.00 O ATOM 1079 CB MET A 67 -9.704 -9.377 2.487 1.00 0.00 C ATOM 1080 CG MET A 67 -9.986 -9.056 1.028 1.00 0.00 C ATOM 1081 SD MET A 67 -8.793 -9.813 -0.092 1.00 0.00 S ATOM 1082 CE MET A 67 -7.250 -9.322 0.674 1.00 0.00 C ATOM 0 H MET A 67 -11.545 -11.012 2.109 1.00 0.00 H new ATOM 0 HA MET A 67 -8.875 -11.308 2.038 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.511 -8.977 3.101 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.790 -8.868 2.792 1.00 0.00 H new ATOM 0 HG2 MET A 67 -10.988 -9.399 0.771 1.00 0.00 H new ATOM 0 HG3 MET A 67 -9.974 -7.975 0.889 1.00 0.00 H new ATOM 0 HE1 MET A 67 -6.580 -8.916 -0.084 1.00 0.00 H new ATOM 0 HE2 MET A 67 -7.445 -8.562 1.430 1.00 0.00 H new ATOM 0 HE3 MET A 67 -6.785 -10.189 1.143 1.00 0.00 H new ATOM 1092 N ASN A 68 -9.775 -10.784 5.182 1.00 0.00 N ATOM 1093 CA ASN A 68 -9.340 -10.943 6.564 1.00 0.00 C ATOM 1094 C ASN A 68 -8.434 -12.162 6.713 1.00 0.00 C ATOM 1095 O ASN A 68 -8.857 -13.293 6.477 1.00 0.00 O ATOM 1096 CB ASN A 68 -10.551 -11.077 7.490 1.00 0.00 C ATOM 1097 CG ASN A 68 -11.069 -12.501 7.562 1.00 0.00 C ATOM 1098 OD1 ASN A 68 -11.424 -13.095 6.544 1.00 0.00 O ATOM 1099 ND2 ASN A 68 -11.114 -13.054 8.768 1.00 0.00 N ATOM 0 H ASN A 68 -10.724 -10.426 5.077 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.773 -10.055 6.844 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -10.279 -10.741 8.491 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.348 -10.421 7.139 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.453 -14.010 8.879 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -10.809 -12.523 9.584 1.00 0.00 H new ATOM 1106 N GLU A 69 -7.188 -11.921 7.107 1.00 0.00 N ATOM 1107 CA GLU A 69 -6.223 -13.000 7.287 1.00 0.00 C ATOM 1108 C GLU A 69 -5.923 -13.689 5.959 1.00 0.00 C ATOM 1109 O GLU A 69 -5.850 -14.916 5.887 1.00 0.00 O ATOM 1110 CB GLU A 69 -6.749 -14.021 8.298 1.00 0.00 C ATOM 1111 CG GLU A 69 -7.082 -13.421 9.653 1.00 0.00 C ATOM 1112 CD GLU A 69 -7.697 -14.430 10.603 1.00 0.00 C ATOM 1113 OE1 GLU A 69 -8.523 -15.248 10.147 1.00 0.00 O ATOM 1114 OE2 GLU A 69 -7.352 -14.401 11.803 1.00 0.00 O ATOM 0 H GLU A 69 -6.823 -10.990 7.308 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.298 -12.566 7.668 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.642 -14.496 7.891 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.004 -14.805 8.431 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.174 -13.014 10.099 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.772 -12.588 9.518 1.00 0.00 H new ATOM 1121 N SER A 70 -5.752 -12.891 4.910 1.00 0.00 N ATOM 1122 CA SER A 70 -5.465 -13.424 3.583 1.00 0.00 C ATOM 1123 C SER A 70 -3.962 -13.456 3.324 1.00 0.00 C ATOM 1124 O SER A 70 -3.169 -13.010 4.153 1.00 0.00 O ATOM 1125 CB SER A 70 -6.161 -12.582 2.512 1.00 0.00 C ATOM 1126 OG SER A 70 -7.481 -13.043 2.279 1.00 0.00 O ATOM 0 H SER A 70 -5.807 -11.873 4.953 1.00 0.00 H new ATOM 0 HA SER A 70 -5.845 -14.444 3.537 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.187 -11.538 2.825 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.589 -12.622 1.585 1.00 0.00 H new ATOM 0 HG SER A 70 -7.970 -13.077 3.127 1.00 0.00 H new ATOM 1132 N GLU A 71 -3.578 -13.986 2.167 1.00 0.00 N ATOM 1133 CA GLU A 71 -2.170 -14.077 1.799 1.00 0.00 C ATOM 1134 C GLU A 71 -1.865 -13.194 0.593 1.00 0.00 C ATOM 1135 O GLU A 71 -2.210 -13.531 -0.541 1.00 0.00 O ATOM 1136 CB GLU A 71 -1.794 -15.528 1.491 1.00 0.00 C ATOM 1137 CG GLU A 71 -0.301 -15.743 1.306 1.00 0.00 C ATOM 1138 CD GLU A 71 0.113 -17.185 1.529 1.00 0.00 C ATOM 1139 OE1 GLU A 71 0.270 -17.581 2.703 1.00 0.00 O ATOM 1140 OE2 GLU A 71 0.280 -17.916 0.531 1.00 0.00 O ATOM 0 H GLU A 71 -4.222 -14.359 1.469 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.576 -13.727 2.643 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.147 -16.166 2.301 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.313 -15.845 0.587 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.016 -15.439 0.299 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.243 -15.101 1.999 1.00 0.00 H new ATOM 1147 N LEU A 72 -1.217 -12.062 0.845 1.00 0.00 N ATOM 1148 CA LEU A 72 -0.865 -11.129 -0.220 1.00 0.00 C ATOM 1149 C LEU A 72 0.636 -10.861 -0.235 1.00 0.00 C ATOM 1150 O LEU A 72 1.276 -10.795 0.815 1.00 0.00 O ATOM 1151 CB LEU A 72 -1.628 -9.815 -0.046 1.00 0.00 C ATOM 1152 CG LEU A 72 -1.434 -8.775 -1.149 1.00 0.00 C ATOM 1153 CD1 LEU A 72 -2.116 -9.224 -2.432 1.00 0.00 C ATOM 1154 CD2 LEU A 72 -1.968 -7.420 -0.706 1.00 0.00 C ATOM 0 H LEU A 72 -0.925 -11.768 1.777 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.144 -11.580 -1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.691 -10.043 0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.331 -9.369 0.903 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.366 -8.676 -1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.967 -8.471 -3.206 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.687 -10.171 -2.760 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.183 -9.352 -2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.821 -6.692 -1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.032 -7.504 -0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.434 -7.093 0.186 1.00 0.00 H new ATOM 1166 N PHE A 73 1.193 -10.704 -1.431 1.00 0.00 N ATOM 1167 CA PHE A 73 2.619 -10.442 -1.583 1.00 0.00 C ATOM 1168 C PHE A 73 3.440 -11.358 -0.680 1.00 0.00 C ATOM 1169 O PHE A 73 4.507 -10.979 -0.199 1.00 0.00 O ATOM 1170 CB PHE A 73 2.927 -8.978 -1.259 1.00 0.00 C ATOM 1171 CG PHE A 73 2.821 -8.066 -2.448 1.00 0.00 C ATOM 1172 CD1 PHE A 73 1.706 -8.104 -3.270 1.00 0.00 C ATOM 1173 CD2 PHE A 73 3.837 -7.171 -2.744 1.00 0.00 C ATOM 1174 CE1 PHE A 73 1.606 -7.266 -4.364 1.00 0.00 C ATOM 1175 CE2 PHE A 73 3.742 -6.331 -3.837 1.00 0.00 C ATOM 1176 CZ PHE A 73 2.626 -6.379 -4.649 1.00 0.00 C ATOM 0 H PHE A 73 0.678 -10.754 -2.310 1.00 0.00 H new ATOM 0 HA PHE A 73 2.892 -10.643 -2.619 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.242 -8.634 -0.485 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.934 -8.909 -0.847 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.906 -8.796 -3.053 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.713 -7.130 -2.113 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.731 -7.304 -4.996 1.00 0.00 H new ATOM 0 HE2 PHE A 73 4.540 -5.637 -4.056 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.551 -5.725 -5.505 1.00 0.00 H new ATOM 1186 N GLY A 74 2.932 -12.565 -0.453 1.00 0.00 N ATOM 1187 CA GLY A 74 3.630 -13.517 0.392 1.00 0.00 C ATOM 1188 C GLY A 74 3.625 -13.108 1.852 1.00 0.00 C ATOM 1189 O GLY A 74 4.584 -13.367 2.579 1.00 0.00 O ATOM 0 H GLY A 74 2.050 -12.901 -0.839 1.00 0.00 H new ATOM 0 HA2 GLY A 74 3.165 -14.497 0.291 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.660 -13.616 0.049 1.00 0.00 H new ATOM 1193 N ARG A 75 2.543 -12.466 2.281 1.00 0.00 N ATOM 1194 CA ARG A 75 2.419 -12.018 3.663 1.00 0.00 C ATOM 1195 C ARG A 75 0.960 -12.036 4.111 1.00 0.00 C ATOM 1196 O ARG A 75 0.047 -12.100 3.287 1.00 0.00 O ATOM 1197 CB ARG A 75 2.995 -10.610 3.818 1.00 0.00 C ATOM 1198 CG ARG A 75 1.970 -9.507 3.610 1.00 0.00 C ATOM 1199 CD ARG A 75 2.639 -8.156 3.409 1.00 0.00 C ATOM 1200 NE ARG A 75 3.061 -7.561 4.674 1.00 0.00 N ATOM 1201 CZ ARG A 75 4.229 -7.816 5.253 1.00 0.00 C ATOM 1202 NH1 ARG A 75 5.087 -8.650 4.683 1.00 0.00 N ATOM 1203 NH2 ARG A 75 4.541 -7.235 6.405 1.00 0.00 N ATOM 0 H ARG A 75 1.740 -12.245 1.692 1.00 0.00 H new ATOM 0 HA ARG A 75 2.983 -12.705 4.294 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.426 -10.511 4.814 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.808 -10.478 3.104 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.353 -9.741 2.743 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.304 -9.460 4.472 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.505 -8.273 2.757 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.948 -7.481 2.903 1.00 0.00 H new ATOM 0 HE ARG A 75 2.424 -6.914 5.139 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.851 -9.098 3.797 1.00 0.00 H new ATOM 0 HH12 ARG A 75 5.983 -8.844 5.130 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.884 -6.592 6.846 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.438 -7.432 6.849 1.00 0.00 H new ATOM 1217 N THR A 76 0.749 -11.978 5.422 1.00 0.00 N ATOM 1218 CA THR A 76 -0.598 -11.989 5.980 1.00 0.00 C ATOM 1219 C THR A 76 -1.081 -10.574 6.278 1.00 0.00 C ATOM 1220 O THR A 76 -0.385 -9.796 6.930 1.00 0.00 O ATOM 1221 CB THR A 76 -0.664 -12.825 7.272 1.00 0.00 C ATOM 1222 OG1 THR A 76 -0.030 -14.093 7.069 1.00 0.00 O ATOM 1223 CG2 THR A 76 -2.106 -13.036 7.707 1.00 0.00 C ATOM 0 H THR A 76 1.493 -11.923 6.117 1.00 0.00 H new ATOM 0 HA THR A 76 -1.247 -12.441 5.230 1.00 0.00 H new ATOM 0 HB THR A 76 -0.141 -12.280 8.058 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.075 -14.617 7.896 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.127 -13.629 8.621 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.576 -12.070 7.890 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.650 -13.561 6.922 1.00 0.00 H new ATOM 1231 N ILE A 77 -2.276 -10.249 5.797 1.00 0.00 N ATOM 1232 CA ILE A 77 -2.852 -8.928 6.014 1.00 0.00 C ATOM 1233 C ILE A 77 -4.171 -9.021 6.773 1.00 0.00 C ATOM 1234 O ILE A 77 -4.876 -10.027 6.692 1.00 0.00 O ATOM 1235 CB ILE A 77 -3.090 -8.191 4.683 1.00 0.00 C ATOM 1236 CG1 ILE A 77 -4.029 -9.003 3.787 1.00 0.00 C ATOM 1237 CG2 ILE A 77 -1.768 -7.933 3.976 1.00 0.00 C ATOM 1238 CD1 ILE A 77 -4.645 -8.193 2.668 1.00 0.00 C ATOM 0 H ILE A 77 -2.864 -10.882 5.255 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.132 -8.365 6.608 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.559 -7.231 4.895 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.476 -9.839 3.358 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.825 -9.427 4.399 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.953 -7.411 3.037 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.129 -7.320 4.612 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.273 -8.883 3.772 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.298 -8.832 2.074 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.225 -7.372 3.090 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -3.856 -7.790 2.033 1.00 0.00 H new ATOM 1250 N ARG A 78 -4.499 -7.965 7.511 1.00 0.00 N ATOM 1251 CA ARG A 78 -5.734 -7.927 8.284 1.00 0.00 C ATOM 1252 C ARG A 78 -6.727 -6.940 7.677 1.00 0.00 C ATOM 1253 O ARG A 78 -6.372 -5.806 7.355 1.00 0.00 O ATOM 1254 CB ARG A 78 -5.441 -7.544 9.736 1.00 0.00 C ATOM 1255 CG ARG A 78 -6.476 -8.058 10.723 1.00 0.00 C ATOM 1256 CD ARG A 78 -5.866 -8.296 12.095 1.00 0.00 C ATOM 1257 NE ARG A 78 -6.882 -8.349 13.144 1.00 0.00 N ATOM 1258 CZ ARG A 78 -6.692 -8.933 14.322 1.00 0.00 C ATOM 1259 NH1 ARG A 78 -5.532 -9.510 14.600 1.00 0.00 N ATOM 1260 NH2 ARG A 78 -7.665 -8.939 15.224 1.00 0.00 N ATOM 0 H ARG A 78 -3.926 -7.125 7.590 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.178 -8.922 8.260 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.461 -7.933 10.015 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.387 -6.458 9.812 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.291 -7.339 10.805 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.907 -8.987 10.349 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.306 -9.231 12.085 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.155 -7.501 12.319 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.786 -7.914 12.962 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.782 -9.507 13.909 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.389 -9.958 15.505 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.559 -8.495 15.013 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.519 -9.387 16.128 1.00 0.00 H new ATOM 1274 N VAL A 79 -7.971 -7.380 7.522 1.00 0.00 N ATOM 1275 CA VAL A 79 -9.015 -6.535 6.953 1.00 0.00 C ATOM 1276 C VAL A 79 -10.214 -6.439 7.890 1.00 0.00 C ATOM 1277 O VAL A 79 -10.640 -7.434 8.474 1.00 0.00 O ATOM 1278 CB VAL A 79 -9.486 -7.068 5.587 1.00 0.00 C ATOM 1279 CG1 VAL A 79 -10.544 -6.150 4.992 1.00 0.00 C ATOM 1280 CG2 VAL A 79 -8.306 -7.220 4.639 1.00 0.00 C ATOM 0 H VAL A 79 -8.281 -8.316 7.782 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.582 -5.544 6.818 1.00 0.00 H new ATOM 0 HB VAL A 79 -9.933 -8.051 5.734 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -10.865 -6.542 4.027 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.400 -6.097 5.665 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.126 -5.152 4.857 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.657 -7.598 3.679 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.828 -6.251 4.495 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.586 -7.920 5.063 1.00 0.00 H new ATOM 1290 N ASN A 80 -10.755 -5.232 8.027 1.00 0.00 N ATOM 1291 CA ASN A 80 -11.906 -5.005 8.893 1.00 0.00 C ATOM 1292 C ASN A 80 -12.589 -3.683 8.555 1.00 0.00 C ATOM 1293 O ASN A 80 -12.145 -2.951 7.669 1.00 0.00 O ATOM 1294 CB ASN A 80 -11.475 -5.008 10.361 1.00 0.00 C ATOM 1295 CG ASN A 80 -11.035 -3.637 10.838 1.00 0.00 C ATOM 1296 OD1 ASN A 80 -11.587 -3.094 11.795 1.00 0.00 O ATOM 1297 ND2 ASN A 80 -10.036 -3.071 10.170 1.00 0.00 N ATOM 0 H ASN A 80 -10.415 -4.397 7.550 1.00 0.00 H new ATOM 0 HA ASN A 80 -12.618 -5.814 8.729 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -12.303 -5.356 10.979 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.657 -5.716 10.495 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -9.697 -2.149 10.444 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -9.608 -3.558 9.383 1.00 0.00 H new ATOM 1304 N LEU A 81 -13.670 -3.383 9.266 1.00 0.00 N ATOM 1305 CA LEU A 81 -14.414 -2.148 9.043 1.00 0.00 C ATOM 1306 C LEU A 81 -13.622 -0.939 9.530 1.00 0.00 C ATOM 1307 O LEU A 81 -13.000 -0.978 10.591 1.00 0.00 O ATOM 1308 CB LEU A 81 -15.766 -2.208 9.757 1.00 0.00 C ATOM 1309 CG LEU A 81 -16.854 -3.031 9.067 1.00 0.00 C ATOM 1310 CD1 LEU A 81 -18.045 -3.225 9.993 1.00 0.00 C ATOM 1311 CD2 LEU A 81 -17.287 -2.361 7.771 1.00 0.00 C ATOM 0 H LEU A 81 -14.051 -3.978 10.002 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.580 -2.042 7.971 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -15.609 -2.615 10.756 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -16.134 -1.190 9.882 1.00 0.00 H new ATOM 0 HG LEU A 81 -16.444 -4.012 8.827 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -18.809 -3.813 9.485 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -17.724 -3.748 10.894 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -18.456 -2.253 10.265 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -18.062 -2.960 7.293 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -17.679 -1.367 7.988 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -16.431 -2.275 7.102 1.00 0.00 H new ATOM 1323 N ALA A 82 -13.651 0.135 8.747 1.00 0.00 N ATOM 1324 CA ALA A 82 -12.939 1.357 9.100 1.00 0.00 C ATOM 1325 C ALA A 82 -13.242 1.774 10.536 1.00 0.00 C ATOM 1326 O ALA A 82 -14.262 1.382 11.105 1.00 0.00 O ATOM 1327 CB ALA A 82 -13.302 2.476 8.136 1.00 0.00 C ATOM 0 H ALA A 82 -14.160 0.183 7.864 1.00 0.00 H new ATOM 0 HA ALA A 82 -11.870 1.160 9.025 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -12.763 3.383 8.411 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -13.029 2.185 7.122 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.375 2.663 8.183 1.00 0.00 H new