USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 530 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 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -1.97 X(o=-2,f=-1.9) USER MOD Single : A 22 THR OG1 : rot 39:sc= 0.124 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 79:sc= 1.07 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.0265 USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 75 MET CE :methyl -159:sc= -2.4! (180deg=-4.07!) USER MOD Single : A 88 GLN : amide:sc= -0.194 K(o=-0.19,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 144 N ILE A 14 5.437 12.558 -4.654 1.00 0.00 N ATOM 145 CA ILE A 14 4.242 11.736 -4.793 1.00 0.00 C ATOM 146 C ILE A 14 4.235 10.599 -3.777 1.00 0.00 C ATOM 147 O ILE A 14 5.016 9.653 -3.881 1.00 0.00 O ATOM 148 CB ILE A 14 4.128 11.143 -6.210 1.00 0.00 C ATOM 149 CG1 ILE A 14 4.199 12.255 -7.259 1.00 0.00 C ATOM 150 CG2 ILE A 14 2.834 10.356 -6.353 1.00 0.00 C ATOM 151 CD1 ILE A 14 2.967 13.131 -7.296 1.00 0.00 C ATOM 0 HA ILE A 14 3.388 12.388 -4.611 1.00 0.00 H new ATOM 0 HB ILE A 14 4.964 10.462 -6.371 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.071 12.877 -7.058 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.346 11.807 -8.242 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.768 9.943 -7.360 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.820 9.544 -5.626 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.985 11.016 -6.175 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.088 13.897 -8.062 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.094 12.521 -7.527 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.830 13.608 -6.325 1.00 0.00 H new ATOM 163 N THR A 15 3.346 10.697 -2.793 1.00 0.00 N ATOM 164 CA THR A 15 3.236 9.677 -1.758 1.00 0.00 C ATOM 165 C THR A 15 1.826 9.100 -1.702 1.00 0.00 C ATOM 166 O THR A 15 0.843 9.840 -1.649 1.00 0.00 O ATOM 167 CB THR A 15 3.603 10.242 -0.372 1.00 0.00 C ATOM 168 OG1 THR A 15 4.828 10.978 -0.452 1.00 0.00 O ATOM 169 CG2 THR A 15 3.744 9.122 0.648 1.00 0.00 C ATOM 0 H THR A 15 2.692 11.473 -2.692 1.00 0.00 H new ATOM 0 HA THR A 15 3.939 8.886 -2.018 1.00 0.00 H new ATOM 0 HB THR A 15 2.801 10.906 -0.050 1.00 0.00 H new ATOM 0 HG1 THR A 15 5.053 11.335 0.432 1.00 0.00 H new ATOM 0 HG21 THR A 15 4.003 9.544 1.619 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.801 8.582 0.728 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.529 8.436 0.329 1.00 0.00 H new ATOM 177 N LEU A 16 1.733 7.775 -1.712 1.00 0.00 N ATOM 178 CA LEU A 16 0.442 7.098 -1.662 1.00 0.00 C ATOM 179 C LEU A 16 0.181 6.527 -0.272 1.00 0.00 C ATOM 180 O LEU A 16 1.111 6.154 0.444 1.00 0.00 O ATOM 181 CB LEU A 16 0.390 5.978 -2.703 1.00 0.00 C ATOM 182 CG LEU A 16 0.191 6.420 -4.153 1.00 0.00 C ATOM 183 CD1 LEU A 16 0.216 5.218 -5.085 1.00 0.00 C ATOM 184 CD2 LEU A 16 -1.115 7.186 -4.303 1.00 0.00 C ATOM 0 H LEU A 16 2.536 7.148 -1.754 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.333 7.830 -1.886 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.317 5.408 -2.642 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.420 5.299 -2.437 1.00 0.00 H new ATOM 0 HG LEU A 16 1.011 7.084 -4.426 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.073 5.551 -6.113 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.177 4.711 -4.999 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.584 4.529 -4.812 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.240 7.493 -5.342 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.948 6.546 -4.011 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.094 8.069 -3.664 1.00 0.00 H new ATOM 196 N LYS A 17 -1.092 6.460 0.105 1.00 0.00 N ATOM 197 CA LYS A 17 -1.478 5.932 1.408 1.00 0.00 C ATOM 198 C LYS A 17 -2.171 4.581 1.264 1.00 0.00 C ATOM 199 O LYS A 17 -3.218 4.474 0.625 1.00 0.00 O ATOM 200 CB LYS A 17 -2.402 6.917 2.127 1.00 0.00 C ATOM 201 CG LYS A 17 -2.608 6.595 3.597 1.00 0.00 C ATOM 202 CD LYS A 17 -2.921 7.845 4.403 1.00 0.00 C ATOM 203 CE LYS A 17 -2.833 7.580 5.898 1.00 0.00 C ATOM 204 NZ LYS A 17 -3.258 8.763 6.697 1.00 0.00 N ATOM 0 H LYS A 17 -1.874 6.765 -0.474 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.573 5.795 1.999 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.988 7.921 2.038 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.370 6.926 1.626 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.423 5.879 3.703 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.712 6.119 3.995 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.225 8.638 4.131 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.921 8.199 4.153 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.460 6.725 6.153 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.809 7.314 6.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.184 8.542 7.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.644 9.572 6.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.243 9.002 6.466 1.00 0.00 H new ATOM 218 N VAL A 18 -1.581 3.551 1.863 1.00 0.00 N ATOM 219 CA VAL A 18 -2.144 2.207 1.803 1.00 0.00 C ATOM 220 C VAL A 18 -2.732 1.798 3.148 1.00 0.00 C ATOM 221 O VAL A 18 -2.163 2.089 4.201 1.00 0.00 O ATOM 222 CB VAL A 18 -1.083 1.173 1.382 1.00 0.00 C ATOM 223 CG1 VAL A 18 -1.745 -0.129 0.959 1.00 0.00 C ATOM 224 CG2 VAL A 18 -0.213 1.727 0.264 1.00 0.00 C ATOM 0 H VAL A 18 -0.714 3.622 2.395 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.936 2.228 1.055 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.443 0.965 2.239 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.980 -0.847 0.665 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.320 -0.532 1.792 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.410 0.058 0.116 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.531 0.983 -0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.836 1.965 -0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.291 2.630 0.608 1.00 0.00 H new ATOM 234 N ASP A 19 -3.873 1.119 3.107 1.00 0.00 N ATOM 235 CA ASP A 19 -4.539 0.667 4.323 1.00 0.00 C ATOM 236 C ASP A 19 -4.877 -0.818 4.237 1.00 0.00 C ATOM 237 O ASP A 19 -4.865 -1.406 3.157 1.00 0.00 O ATOM 238 CB ASP A 19 -5.812 1.480 4.566 1.00 0.00 C ATOM 239 CG ASP A 19 -5.545 2.755 5.341 1.00 0.00 C ATOM 240 OD1 ASP A 19 -4.776 3.603 4.843 1.00 0.00 O ATOM 241 OD2 ASP A 19 -6.107 2.905 6.446 1.00 0.00 O ATOM 0 H ASP A 19 -4.356 0.869 2.244 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.856 0.818 5.159 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.269 1.729 3.608 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.531 0.870 5.113 1.00 0.00 H new ATOM 246 N ASN A 20 -5.178 -1.418 5.384 1.00 0.00 N ATOM 247 CA ASN A 20 -5.518 -2.835 5.439 1.00 0.00 C ATOM 248 C ASN A 20 -4.304 -3.699 5.112 1.00 0.00 C ATOM 249 O ASN A 20 -4.391 -4.639 4.320 1.00 0.00 O ATOM 250 CB ASN A 20 -6.656 -3.146 4.464 1.00 0.00 C ATOM 251 CG ASN A 20 -7.253 -4.522 4.691 1.00 0.00 C ATOM 252 OD1 ASN A 20 -7.006 -5.156 5.718 1.00 0.00 O ATOM 253 ND2 ASN A 20 -8.041 -4.990 3.731 1.00 0.00 N ATOM 0 H ASN A 20 -5.193 -0.945 6.288 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.844 -3.066 6.453 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.437 -2.393 4.569 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.283 -3.079 3.442 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -8.470 -5.910 3.827 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -8.217 -4.429 2.897 1.00 0.00 H new ATOM 260 N LEU A 21 -3.172 -3.376 5.727 1.00 0.00 N ATOM 261 CA LEU A 21 -1.939 -4.122 5.503 1.00 0.00 C ATOM 262 C LEU A 21 -1.698 -5.126 6.626 1.00 0.00 C ATOM 263 O LEU A 21 -1.375 -4.748 7.753 1.00 0.00 O ATOM 264 CB LEU A 21 -0.751 -3.164 5.396 1.00 0.00 C ATOM 265 CG LEU A 21 -0.703 -2.292 4.141 1.00 0.00 C ATOM 266 CD1 LEU A 21 0.480 -1.339 4.198 1.00 0.00 C ATOM 267 CD2 LEU A 21 -0.632 -3.159 2.892 1.00 0.00 C ATOM 0 H LEU A 21 -3.082 -2.602 6.385 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.041 -4.670 4.566 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.757 -2.510 6.268 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.167 -3.749 5.443 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.618 -1.701 4.098 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.498 -0.727 3.296 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.387 -0.695 5.072 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.405 -1.911 4.266 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.599 -2.522 2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.265 -3.777 2.928 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.512 -3.800 2.844 1.00 0.00 H new ATOM 279 N THR A 22 -1.855 -6.408 6.312 1.00 0.00 N ATOM 280 CA THR A 22 -1.653 -7.466 7.293 1.00 0.00 C ATOM 281 C THR A 22 -0.205 -7.509 7.766 1.00 0.00 C ATOM 282 O THR A 22 0.712 -7.155 7.023 1.00 0.00 O ATOM 283 CB THR A 22 -2.036 -8.844 6.721 1.00 0.00 C ATOM 284 OG1 THR A 22 -1.697 -9.874 7.656 1.00 0.00 O ATOM 285 CG2 THR A 22 -1.325 -9.097 5.400 1.00 0.00 C ATOM 0 H THR A 22 -2.122 -6.739 5.385 1.00 0.00 H new ATOM 0 HA THR A 22 -2.302 -7.239 8.139 1.00 0.00 H new ATOM 0 HB THR A 22 -3.112 -8.854 6.545 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.888 -9.565 8.566 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.611 -10.076 5.015 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.608 -8.328 4.681 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.247 -9.069 5.556 1.00 0.00 H new ATOM 293 N TYR A 23 -0.004 -7.946 9.004 1.00 0.00 N ATOM 294 CA TYR A 23 1.334 -8.033 9.576 1.00 0.00 C ATOM 295 C TYR A 23 2.327 -8.583 8.557 1.00 0.00 C ATOM 296 O TYR A 23 3.355 -7.965 8.280 1.00 0.00 O ATOM 297 CB TYR A 23 1.322 -8.920 10.822 1.00 0.00 C ATOM 298 CG TYR A 23 0.571 -10.219 10.633 1.00 0.00 C ATOM 299 CD1 TYR A 23 -0.811 -10.272 10.765 1.00 0.00 C ATOM 300 CD2 TYR A 23 1.245 -11.394 10.322 1.00 0.00 C ATOM 301 CE1 TYR A 23 -1.500 -11.457 10.594 1.00 0.00 C ATOM 302 CE2 TYR A 23 0.564 -12.584 10.148 1.00 0.00 C ATOM 303 CZ TYR A 23 -0.808 -12.610 10.285 1.00 0.00 C ATOM 304 OH TYR A 23 -1.491 -13.792 10.113 1.00 0.00 O ATOM 0 H TYR A 23 -0.751 -8.246 9.631 1.00 0.00 H new ATOM 0 HA TYR A 23 1.648 -7.028 9.857 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.350 -9.143 11.109 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.873 -8.367 11.647 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -1.356 -9.371 11.005 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.319 -11.377 10.214 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -2.574 -11.481 10.702 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.103 -13.488 9.906 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.857 -14.508 9.899 1.00 0.00 H new ATOM 314 N ARG A 24 2.012 -9.749 8.003 1.00 0.00 N ATOM 315 CA ARG A 24 2.876 -10.384 7.014 1.00 0.00 C ATOM 316 C ARG A 24 3.460 -9.348 6.058 1.00 0.00 C ATOM 317 O ARG A 24 4.614 -9.451 5.642 1.00 0.00 O ATOM 318 CB ARG A 24 2.097 -11.439 6.227 1.00 0.00 C ATOM 319 CG ARG A 24 2.107 -12.813 6.876 1.00 0.00 C ATOM 320 CD ARG A 24 2.021 -13.920 5.837 1.00 0.00 C ATOM 321 NE ARG A 24 3.338 -14.305 5.336 1.00 0.00 N ATOM 322 CZ ARG A 24 4.263 -14.898 6.083 1.00 0.00 C ATOM 323 NH1 ARG A 24 4.016 -15.173 7.356 1.00 0.00 N ATOM 324 NH2 ARG A 24 5.438 -15.218 5.555 1.00 0.00 N ATOM 0 H ARG A 24 1.165 -10.274 8.222 1.00 0.00 H new ATOM 0 HA ARG A 24 3.697 -10.869 7.543 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.065 -11.107 6.114 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.518 -11.517 5.225 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.018 -12.933 7.463 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.269 -12.896 7.568 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.531 -14.790 6.274 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.399 -13.589 5.005 1.00 0.00 H new ATOM 0 HE ARG A 24 3.559 -14.108 4.360 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.114 -14.929 7.765 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.728 -15.628 7.927 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.631 -15.009 4.576 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.148 -15.673 6.129 1.00 0.00 H new ATOM 338 N THR A 25 2.654 -8.349 5.711 1.00 0.00 N ATOM 339 CA THR A 25 3.089 -7.296 4.802 1.00 0.00 C ATOM 340 C THR A 25 4.499 -6.826 5.141 1.00 0.00 C ATOM 341 O THR A 25 4.820 -6.582 6.304 1.00 0.00 O ATOM 342 CB THR A 25 2.133 -6.088 4.844 1.00 0.00 C ATOM 343 OG1 THR A 25 0.809 -6.498 4.484 1.00 0.00 O ATOM 344 CG2 THR A 25 2.605 -4.993 3.899 1.00 0.00 C ATOM 0 H THR A 25 1.696 -8.247 6.046 1.00 0.00 H new ATOM 0 HA THR A 25 3.082 -7.721 3.798 1.00 0.00 H new ATOM 0 HB THR A 25 2.126 -5.692 5.860 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.382 -6.936 5.250 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.915 -4.150 3.945 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.601 -4.663 4.193 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.637 -5.380 2.881 1.00 0.00 H new ATOM 352 N SER A 26 5.337 -6.701 4.117 1.00 0.00 N ATOM 353 CA SER A 26 6.715 -6.262 4.307 1.00 0.00 C ATOM 354 C SER A 26 7.106 -5.229 3.255 1.00 0.00 C ATOM 355 O SER A 26 6.510 -5.142 2.181 1.00 0.00 O ATOM 356 CB SER A 26 7.667 -7.458 4.242 1.00 0.00 C ATOM 357 OG SER A 26 7.342 -8.310 3.157 1.00 0.00 O ATOM 0 H SER A 26 5.086 -6.897 3.148 1.00 0.00 H new ATOM 0 HA SER A 26 6.790 -5.799 5.291 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.693 -7.105 4.137 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.617 -8.018 5.176 1.00 0.00 H new ATOM 0 HG SER A 26 7.966 -9.066 3.136 1.00 0.00 H new ATOM 363 N PRO A 27 8.134 -4.426 3.568 1.00 0.00 N ATOM 364 CA PRO A 27 8.629 -3.384 2.664 1.00 0.00 C ATOM 365 C PRO A 27 8.770 -3.881 1.229 1.00 0.00 C ATOM 366 O PRO A 27 8.280 -3.251 0.293 1.00 0.00 O ATOM 367 CB PRO A 27 10.001 -3.032 3.245 1.00 0.00 C ATOM 368 CG PRO A 27 9.887 -3.342 4.698 1.00 0.00 C ATOM 369 CD PRO A 27 8.891 -4.474 4.830 1.00 0.00 C ATOM 0 HA PRO A 27 7.946 -2.537 2.606 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.792 -3.618 2.776 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.243 -1.982 3.082 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.855 -3.630 5.108 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.552 -2.467 5.254 1.00 0.00 H new ATOM 0 HD2 PRO A 27 9.391 -5.434 4.960 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.239 -4.335 5.693 1.00 0.00 H new ATOM 377 N ASP A 28 9.443 -5.015 1.065 1.00 0.00 N ATOM 378 CA ASP A 28 9.648 -5.598 -0.257 1.00 0.00 C ATOM 379 C ASP A 28 8.317 -5.784 -0.980 1.00 0.00 C ATOM 380 O ASP A 28 8.131 -5.293 -2.093 1.00 0.00 O ATOM 381 CB ASP A 28 10.370 -6.940 -0.139 1.00 0.00 C ATOM 382 CG ASP A 28 11.814 -6.785 0.298 1.00 0.00 C ATOM 383 OD1 ASP A 28 12.051 -6.152 1.349 1.00 0.00 O ATOM 384 OD2 ASP A 28 12.706 -7.296 -0.409 1.00 0.00 O ATOM 0 H ASP A 28 9.856 -5.549 1.830 1.00 0.00 H new ATOM 0 HA ASP A 28 10.265 -4.913 -0.838 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.843 -7.571 0.576 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.338 -7.452 -1.101 1.00 0.00 H new ATOM 389 N SER A 29 7.396 -6.497 -0.341 1.00 0.00 N ATOM 390 CA SER A 29 6.085 -6.752 -0.925 1.00 0.00 C ATOM 391 C SER A 29 5.355 -5.444 -1.214 1.00 0.00 C ATOM 392 O SER A 29 5.085 -5.112 -2.369 1.00 0.00 O ATOM 393 CB SER A 29 5.245 -7.622 0.013 1.00 0.00 C ATOM 394 OG SER A 29 4.297 -8.385 -0.712 1.00 0.00 O ATOM 0 H SER A 29 7.534 -6.909 0.582 1.00 0.00 H new ATOM 0 HA SER A 29 6.231 -7.282 -1.866 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.897 -8.288 0.578 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.731 -6.990 0.737 1.00 0.00 H new ATOM 0 HG SER A 29 3.774 -8.933 -0.090 1.00 0.00 H new ATOM 400 N LEU A 30 5.038 -4.705 -0.156 1.00 0.00 N ATOM 401 CA LEU A 30 4.339 -3.432 -0.294 1.00 0.00 C ATOM 402 C LEU A 30 4.875 -2.642 -1.484 1.00 0.00 C ATOM 403 O LEU A 30 4.126 -1.941 -2.164 1.00 0.00 O ATOM 404 CB LEU A 30 4.483 -2.607 0.986 1.00 0.00 C ATOM 405 CG LEU A 30 3.735 -1.274 1.013 1.00 0.00 C ATOM 406 CD1 LEU A 30 2.271 -1.476 0.654 1.00 0.00 C ATOM 407 CD2 LEU A 30 3.866 -0.617 2.379 1.00 0.00 C ATOM 0 H LEU A 30 5.254 -4.965 0.806 1.00 0.00 H new ATOM 0 HA LEU A 30 3.284 -3.643 -0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.138 -3.211 1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.542 -2.410 1.150 1.00 0.00 H new ATOM 0 HG LEU A 30 4.182 -0.613 0.270 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.755 -0.516 0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.197 -1.902 -0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.810 -2.154 1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.328 0.331 2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.446 -1.274 3.141 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.919 -0.436 2.596 1.00 0.00 H new ATOM 419 N ARG A 31 6.175 -2.764 -1.731 1.00 0.00 N ATOM 420 CA ARG A 31 6.812 -2.062 -2.840 1.00 0.00 C ATOM 421 C ARG A 31 6.379 -2.654 -4.178 1.00 0.00 C ATOM 422 O ARG A 31 5.862 -1.947 -5.042 1.00 0.00 O ATOM 423 CB ARG A 31 8.334 -2.131 -2.708 1.00 0.00 C ATOM 424 CG ARG A 31 9.075 -1.554 -3.903 1.00 0.00 C ATOM 425 CD ARG A 31 10.578 -1.532 -3.669 1.00 0.00 C ATOM 426 NE ARG A 31 11.217 -2.773 -4.098 1.00 0.00 N ATOM 427 CZ ARG A 31 12.515 -3.017 -3.960 1.00 0.00 C ATOM 428 NH1 ARG A 31 13.309 -2.109 -3.408 1.00 0.00 N ATOM 429 NH2 ARG A 31 13.022 -4.171 -4.375 1.00 0.00 N ATOM 0 H ARG A 31 6.808 -3.342 -1.179 1.00 0.00 H new ATOM 0 HA ARG A 31 6.498 -1.019 -2.805 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.637 -1.594 -1.809 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.632 -3.171 -2.574 1.00 0.00 H new ATOM 0 HG2 ARG A 31 8.853 -2.146 -4.791 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.721 -0.542 -4.098 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.017 -0.693 -4.209 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.778 -1.369 -2.610 1.00 0.00 H new ATOM 0 HE ARG A 31 10.634 -3.492 -4.527 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.923 -1.221 -3.088 1.00 0.00 H new ATOM 0 HH12 ARG A 31 14.306 -2.299 -3.303 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.415 -4.871 -4.800 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.019 -4.358 -4.269 1.00 0.00 H new ATOM 443 N ARG A 32 6.594 -3.956 -4.340 1.00 0.00 N ATOM 444 CA ARG A 32 6.227 -4.642 -5.573 1.00 0.00 C ATOM 445 C ARG A 32 4.773 -4.363 -5.940 1.00 0.00 C ATOM 446 O ARG A 32 4.377 -4.496 -7.098 1.00 0.00 O ATOM 447 CB ARG A 32 6.447 -6.149 -5.428 1.00 0.00 C ATOM 448 CG ARG A 32 6.396 -6.902 -6.747 1.00 0.00 C ATOM 449 CD ARG A 32 5.902 -8.328 -6.555 1.00 0.00 C ATOM 450 NE ARG A 32 4.537 -8.369 -6.038 1.00 0.00 N ATOM 451 CZ ARG A 32 3.839 -9.491 -5.896 1.00 0.00 C ATOM 452 NH1 ARG A 32 4.375 -10.656 -6.229 1.00 0.00 N ATOM 453 NH2 ARG A 32 2.602 -9.447 -5.418 1.00 0.00 N ATOM 0 H ARG A 32 7.020 -4.556 -3.634 1.00 0.00 H new ATOM 0 HA ARG A 32 6.864 -4.263 -6.372 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.415 -6.323 -4.958 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.689 -6.555 -4.758 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.739 -6.378 -7.441 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.388 -6.917 -7.197 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.945 -8.858 -7.507 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.566 -8.852 -5.868 1.00 0.00 H new ATOM 0 HE ARG A 32 4.095 -7.489 -5.771 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.326 -10.694 -6.596 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.837 -11.515 -6.119 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.187 -8.552 -5.160 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.066 -10.308 -5.309 1.00 0.00 H new ATOM 467 N VAL A 33 3.981 -3.976 -4.944 1.00 0.00 N ATOM 468 CA VAL A 33 2.571 -3.677 -5.162 1.00 0.00 C ATOM 469 C VAL A 33 2.393 -2.624 -6.249 1.00 0.00 C ATOM 470 O VAL A 33 1.643 -2.823 -7.205 1.00 0.00 O ATOM 471 CB VAL A 33 1.896 -3.182 -3.868 1.00 0.00 C ATOM 472 CG1 VAL A 33 0.447 -2.802 -4.133 1.00 0.00 C ATOM 473 CG2 VAL A 33 1.987 -4.242 -2.781 1.00 0.00 C ATOM 0 H VAL A 33 4.292 -3.862 -3.979 1.00 0.00 H new ATOM 0 HA VAL A 33 2.096 -4.606 -5.479 1.00 0.00 H new ATOM 0 HB VAL A 33 2.422 -2.293 -3.522 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.013 -2.455 -3.208 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.410 -2.007 -4.877 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.095 -3.672 -4.504 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.505 -3.876 -1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.487 -5.151 -3.116 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.034 -4.460 -2.573 1.00 0.00 H new ATOM 483 N PHE A 34 3.089 -1.501 -6.098 1.00 0.00 N ATOM 484 CA PHE A 34 3.008 -0.415 -7.067 1.00 0.00 C ATOM 485 C PHE A 34 4.184 -0.464 -8.038 1.00 0.00 C ATOM 486 O PHE A 34 4.072 -0.036 -9.186 1.00 0.00 O ATOM 487 CB PHE A 34 2.979 0.936 -6.350 1.00 0.00 C ATOM 488 CG PHE A 34 2.024 0.980 -5.192 1.00 0.00 C ATOM 489 CD1 PHE A 34 0.666 0.787 -5.389 1.00 0.00 C ATOM 490 CD2 PHE A 34 2.484 1.215 -3.906 1.00 0.00 C ATOM 491 CE1 PHE A 34 -0.216 0.826 -4.325 1.00 0.00 C ATOM 492 CE2 PHE A 34 1.607 1.255 -2.838 1.00 0.00 C ATOM 493 CZ PHE A 34 0.256 1.062 -3.048 1.00 0.00 C ATOM 0 H PHE A 34 3.715 -1.320 -5.313 1.00 0.00 H new ATOM 0 HA PHE A 34 2.086 -0.536 -7.635 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.982 1.170 -5.993 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.706 1.712 -7.065 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.292 0.604 -6.386 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.539 1.369 -3.736 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.272 0.672 -4.492 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.978 1.437 -1.840 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.431 1.095 -2.215 1.00 0.00 H new ATOM 503 N GLU A 35 5.311 -0.988 -7.567 1.00 0.00 N ATOM 504 CA GLU A 35 6.509 -1.091 -8.392 1.00 0.00 C ATOM 505 C GLU A 35 6.169 -1.633 -9.778 1.00 0.00 C ATOM 506 O GLU A 35 6.661 -1.134 -10.790 1.00 0.00 O ATOM 507 CB GLU A 35 7.543 -1.995 -7.718 1.00 0.00 C ATOM 508 CG GLU A 35 8.979 -1.653 -8.082 1.00 0.00 C ATOM 509 CD GLU A 35 9.289 -1.914 -9.543 1.00 0.00 C ATOM 510 OE1 GLU A 35 9.470 -3.094 -9.909 1.00 0.00 O ATOM 511 OE2 GLU A 35 9.350 -0.939 -10.321 1.00 0.00 O ATOM 0 H GLU A 35 5.420 -1.348 -6.619 1.00 0.00 H new ATOM 0 HA GLU A 35 6.930 -0.092 -8.504 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.425 -1.925 -6.637 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.344 -3.030 -7.994 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.167 -0.603 -7.857 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.657 -2.238 -7.461 1.00 0.00 H new ATOM 518 N LYS A 36 5.325 -2.659 -9.815 1.00 0.00 N ATOM 519 CA LYS A 36 4.918 -3.271 -11.074 1.00 0.00 C ATOM 520 C LYS A 36 4.648 -2.207 -12.133 1.00 0.00 C ATOM 521 O LYS A 36 4.890 -2.424 -13.321 1.00 0.00 O ATOM 522 CB LYS A 36 3.668 -4.128 -10.867 1.00 0.00 C ATOM 523 CG LYS A 36 3.431 -5.136 -11.979 1.00 0.00 C ATOM 524 CD LYS A 36 1.968 -5.540 -12.063 1.00 0.00 C ATOM 525 CE LYS A 36 1.631 -6.625 -11.052 1.00 0.00 C ATOM 526 NZ LYS A 36 0.263 -7.174 -11.263 1.00 0.00 N ATOM 0 H LYS A 36 4.909 -3.084 -8.986 1.00 0.00 H new ATOM 0 HA LYS A 36 5.733 -3.906 -11.421 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.755 -4.659 -9.919 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.799 -3.475 -10.788 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.747 -4.710 -12.931 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.044 -6.020 -11.806 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.338 -4.668 -11.886 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.745 -5.896 -13.069 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.361 -7.431 -11.127 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.708 -6.218 -10.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.071 -7.911 -10.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.436 -6.410 -11.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.197 -7.585 -12.216 1.00 0.00 H new ATOM 540 N TYR A 37 4.147 -1.057 -11.696 1.00 0.00 N ATOM 541 CA TYR A 37 3.844 0.041 -12.607 1.00 0.00 C ATOM 542 C TYR A 37 4.934 1.107 -12.556 1.00 0.00 C ATOM 543 O TYR A 37 5.685 1.290 -13.513 1.00 0.00 O ATOM 544 CB TYR A 37 2.490 0.661 -12.258 1.00 0.00 C ATOM 545 CG TYR A 37 1.398 -0.358 -12.029 1.00 0.00 C ATOM 546 CD1 TYR A 37 1.226 -0.954 -10.785 1.00 0.00 C ATOM 547 CD2 TYR A 37 0.538 -0.727 -13.056 1.00 0.00 C ATOM 548 CE1 TYR A 37 0.229 -1.886 -10.572 1.00 0.00 C ATOM 549 CE2 TYR A 37 -0.462 -1.658 -12.851 1.00 0.00 C ATOM 550 CZ TYR A 37 -0.612 -2.235 -11.607 1.00 0.00 C ATOM 551 OH TYR A 37 -1.607 -3.163 -11.399 1.00 0.00 O ATOM 0 H TYR A 37 3.942 -0.861 -10.716 1.00 0.00 H new ATOM 0 HA TYR A 37 3.802 -0.360 -13.620 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.600 1.271 -11.361 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.188 1.330 -13.064 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.883 -0.684 -9.971 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.653 -0.278 -14.032 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.109 -2.339 -9.599 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.123 -1.932 -13.660 1.00 0.00 H new ATOM 0 HH TYR A 37 -2.110 -3.294 -12.229 1.00 0.00 H new ATOM 561 N GLY A 38 5.013 1.810 -11.431 1.00 0.00 N ATOM 562 CA GLY A 38 6.013 2.850 -11.274 1.00 0.00 C ATOM 563 C GLY A 38 6.969 2.568 -10.132 1.00 0.00 C ATOM 564 O GLY A 38 6.571 2.029 -9.099 1.00 0.00 O ATOM 0 H GLY A 38 4.402 1.678 -10.625 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.578 2.949 -12.201 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.516 3.804 -11.100 1.00 0.00 H new ATOM 568 N ARG A 39 8.233 2.932 -10.317 1.00 0.00 N ATOM 569 CA ARG A 39 9.249 2.712 -9.295 1.00 0.00 C ATOM 570 C ARG A 39 8.873 3.415 -7.994 1.00 0.00 C ATOM 571 O ARG A 39 8.408 4.556 -8.004 1.00 0.00 O ATOM 572 CB ARG A 39 10.610 3.213 -9.782 1.00 0.00 C ATOM 573 CG ARG A 39 11.379 2.188 -10.600 1.00 0.00 C ATOM 574 CD ARG A 39 12.881 2.407 -10.498 1.00 0.00 C ATOM 575 NE ARG A 39 13.323 3.545 -11.300 1.00 0.00 N ATOM 576 CZ ARG A 39 14.540 4.072 -11.218 1.00 0.00 C ATOM 577 NH1 ARG A 39 15.430 3.568 -10.375 1.00 0.00 N ATOM 578 NH2 ARG A 39 14.868 5.107 -11.982 1.00 0.00 N ATOM 0 H ARG A 39 8.578 3.381 -11.165 1.00 0.00 H new ATOM 0 HA ARG A 39 9.310 1.640 -9.105 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.463 4.110 -10.384 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.211 3.502 -8.920 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.132 1.185 -10.253 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.071 2.249 -11.644 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.154 2.570 -9.455 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.402 1.508 -10.827 1.00 0.00 H new ATOM 0 HE ARG A 39 12.662 3.957 -11.958 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.182 2.773 -9.786 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.363 3.975 -10.315 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.186 5.498 -12.632 1.00 0.00 H new ATOM 0 HH22 ARG A 39 15.802 5.512 -11.919 1.00 0.00 H new ATOM 592 N VAL A 40 9.075 2.727 -6.875 1.00 0.00 N ATOM 593 CA VAL A 40 8.758 3.285 -5.566 1.00 0.00 C ATOM 594 C VAL A 40 9.935 4.073 -5.005 1.00 0.00 C ATOM 595 O VAL A 40 10.988 3.510 -4.709 1.00 0.00 O ATOM 596 CB VAL A 40 8.369 2.181 -4.565 1.00 0.00 C ATOM 597 CG1 VAL A 40 8.348 2.730 -3.146 1.00 0.00 C ATOM 598 CG2 VAL A 40 7.020 1.580 -4.933 1.00 0.00 C ATOM 0 H VAL A 40 9.457 1.782 -6.849 1.00 0.00 H new ATOM 0 HA VAL A 40 7.909 3.955 -5.704 1.00 0.00 H new ATOM 0 HB VAL A 40 9.118 1.391 -4.612 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.071 1.936 -2.453 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.337 3.109 -2.888 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.621 3.539 -3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.761 0.802 -4.215 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.258 2.359 -4.915 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.074 1.149 -5.932 1.00 0.00 H new ATOM 608 N GLY A 41 9.749 5.382 -4.860 1.00 0.00 N ATOM 609 CA GLY A 41 10.805 6.228 -4.333 1.00 0.00 C ATOM 610 C GLY A 41 11.253 5.802 -2.949 1.00 0.00 C ATOM 611 O GLY A 41 12.445 5.820 -2.642 1.00 0.00 O ATOM 0 H GLY A 41 8.886 5.872 -5.098 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.658 6.204 -5.011 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.456 7.260 -4.297 1.00 0.00 H new ATOM 615 N ASP A 42 10.296 5.419 -2.111 1.00 0.00 N ATOM 616 CA ASP A 42 10.598 4.987 -0.751 1.00 0.00 C ATOM 617 C ASP A 42 9.376 4.347 -0.100 1.00 0.00 C ATOM 618 O ASP A 42 8.249 4.806 -0.285 1.00 0.00 O ATOM 619 CB ASP A 42 11.077 6.173 0.088 1.00 0.00 C ATOM 620 CG ASP A 42 11.582 5.748 1.453 1.00 0.00 C ATOM 621 OD1 ASP A 42 12.329 4.751 1.525 1.00 0.00 O ATOM 622 OD2 ASP A 42 11.229 6.414 2.450 1.00 0.00 O ATOM 0 H ASP A 42 9.304 5.399 -2.349 1.00 0.00 H new ATOM 0 HA ASP A 42 11.392 4.242 -0.800 1.00 0.00 H new ATOM 0 HB2 ASP A 42 11.873 6.694 -0.445 1.00 0.00 H new ATOM 0 HB3 ASP A 42 10.258 6.882 0.211 1.00 0.00 H new ATOM 627 N VAL A 43 9.607 3.283 0.662 1.00 0.00 N ATOM 628 CA VAL A 43 8.525 2.579 1.341 1.00 0.00 C ATOM 629 C VAL A 43 8.588 2.798 2.848 1.00 0.00 C ATOM 630 O VAL A 43 9.623 2.572 3.476 1.00 0.00 O ATOM 631 CB VAL A 43 8.569 1.068 1.050 1.00 0.00 C ATOM 632 CG1 VAL A 43 7.217 0.430 1.328 1.00 0.00 C ATOM 633 CG2 VAL A 43 9.001 0.815 -0.387 1.00 0.00 C ATOM 0 H VAL A 43 10.534 2.889 0.825 1.00 0.00 H new ATOM 0 HA VAL A 43 7.591 2.988 0.956 1.00 0.00 H new ATOM 0 HB VAL A 43 9.303 0.610 1.713 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.268 -0.638 1.116 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.952 0.580 2.375 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.460 0.890 0.693 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.027 -0.258 -0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.293 1.286 -1.068 1.00 0.00 H new ATOM 0 HG23 VAL A 43 9.994 1.236 -0.548 1.00 0.00 H new ATOM 643 N TYR A 44 7.475 3.238 3.424 1.00 0.00 N ATOM 644 CA TYR A 44 7.404 3.489 4.859 1.00 0.00 C ATOM 645 C TYR A 44 6.279 2.681 5.498 1.00 0.00 C ATOM 646 O TYR A 44 5.140 2.705 5.030 1.00 0.00 O ATOM 647 CB TYR A 44 7.193 4.980 5.127 1.00 0.00 C ATOM 648 CG TYR A 44 7.092 5.322 6.596 1.00 0.00 C ATOM 649 CD1 TYR A 44 8.011 4.821 7.511 1.00 0.00 C ATOM 650 CD2 TYR A 44 6.078 6.145 7.070 1.00 0.00 C ATOM 651 CE1 TYR A 44 7.922 5.131 8.855 1.00 0.00 C ATOM 652 CE2 TYR A 44 5.982 6.460 8.411 1.00 0.00 C ATOM 653 CZ TYR A 44 6.906 5.951 9.300 1.00 0.00 C ATOM 654 OH TYR A 44 6.813 6.262 10.637 1.00 0.00 O ATOM 0 H TYR A 44 6.609 3.428 2.919 1.00 0.00 H new ATOM 0 HA TYR A 44 8.349 3.177 5.304 1.00 0.00 H new ATOM 0 HB2 TYR A 44 8.019 5.540 4.688 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.283 5.306 4.623 1.00 0.00 H new ATOM 0 HD1 TYR A 44 8.808 4.179 7.166 1.00 0.00 H new ATOM 0 HD2 TYR A 44 5.352 6.545 6.378 1.00 0.00 H new ATOM 0 HE1 TYR A 44 8.644 4.733 9.553 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.187 7.102 8.762 1.00 0.00 H new ATOM 0 HH TYR A 44 6.043 6.850 10.783 1.00 0.00 H new ATOM 664 N ILE A 45 6.606 1.967 6.569 1.00 0.00 N ATOM 665 CA ILE A 45 5.624 1.154 7.274 1.00 0.00 C ATOM 666 C ILE A 45 5.684 1.399 8.778 1.00 0.00 C ATOM 667 O ILE A 45 6.450 0.767 9.505 1.00 0.00 O ATOM 668 CB ILE A 45 5.836 -0.347 7.002 1.00 0.00 C ATOM 669 CG1 ILE A 45 5.802 -0.624 5.497 1.00 0.00 C ATOM 670 CG2 ILE A 45 4.778 -1.171 7.721 1.00 0.00 C ATOM 671 CD1 ILE A 45 6.351 -1.983 5.121 1.00 0.00 C ATOM 0 H ILE A 45 7.544 1.935 6.968 1.00 0.00 H new ATOM 0 HA ILE A 45 4.644 1.449 6.899 1.00 0.00 H new ATOM 0 HB ILE A 45 6.815 -0.636 7.384 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.774 -0.546 5.144 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.375 0.146 4.981 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.942 -2.229 7.519 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.845 -0.992 8.794 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.789 -0.882 7.366 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.296 -2.111 4.040 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.390 -2.058 5.443 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.763 -2.761 5.609 1.00 0.00 H new ATOM 683 N PRO A 46 4.855 2.339 9.258 1.00 0.00 N ATOM 684 CA PRO A 46 4.794 2.688 10.680 1.00 0.00 C ATOM 685 C PRO A 46 4.045 1.644 11.502 1.00 0.00 C ATOM 686 O PRO A 46 3.225 0.894 10.971 1.00 0.00 O ATOM 687 CB PRO A 46 4.035 4.018 10.686 1.00 0.00 C ATOM 688 CG PRO A 46 3.178 3.970 9.469 1.00 0.00 C ATOM 689 CD PRO A 46 3.915 3.132 8.449 1.00 0.00 C ATOM 0 HA PRO A 46 5.786 2.745 11.129 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.434 4.127 11.589 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.720 4.865 10.655 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.206 3.534 9.698 1.00 0.00 H new ATOM 0 HG3 PRO A 46 2.995 4.974 9.085 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.233 2.493 7.888 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.438 3.754 7.723 1.00 0.00 H new ATOM 851 N GLY A 56 -2.126 -0.093 10.845 1.00 0.00 N ATOM 852 CA GLY A 56 -3.030 -0.479 9.777 1.00 0.00 C ATOM 853 C GLY A 56 -2.941 0.446 8.579 1.00 0.00 C ATOM 854 O GLY A 56 -3.933 0.675 7.887 1.00 0.00 O ATOM 0 HA2 GLY A 56 -2.803 -1.498 9.463 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.053 -0.482 10.154 1.00 0.00 H new ATOM 858 N PHE A 57 -1.749 0.981 8.334 1.00 0.00 N ATOM 859 CA PHE A 57 -1.535 1.888 7.213 1.00 0.00 C ATOM 860 C PHE A 57 -0.045 2.068 6.936 1.00 0.00 C ATOM 861 O PHE A 57 0.799 1.690 7.748 1.00 0.00 O ATOM 862 CB PHE A 57 -2.179 3.247 7.499 1.00 0.00 C ATOM 863 CG PHE A 57 -1.696 3.883 8.771 1.00 0.00 C ATOM 864 CD1 PHE A 57 -0.561 4.678 8.776 1.00 0.00 C ATOM 865 CD2 PHE A 57 -2.378 3.686 9.961 1.00 0.00 C ATOM 866 CE1 PHE A 57 -0.115 5.265 9.945 1.00 0.00 C ATOM 867 CE2 PHE A 57 -1.937 4.272 11.133 1.00 0.00 C ATOM 868 CZ PHE A 57 -0.803 5.061 11.125 1.00 0.00 C ATOM 0 H PHE A 57 -0.917 0.802 8.897 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.001 1.451 6.330 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.975 3.919 6.666 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -3.261 3.124 7.552 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.019 4.841 7.856 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.264 3.068 9.973 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.771 5.883 9.936 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.478 4.113 12.054 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.455 5.517 12.040 1.00 0.00 H new ATOM 878 N ALA A 58 0.271 2.646 5.782 1.00 0.00 N ATOM 879 CA ALA A 58 1.657 2.877 5.397 1.00 0.00 C ATOM 880 C ALA A 58 1.755 3.938 4.306 1.00 0.00 C ATOM 881 O ALA A 58 0.744 4.363 3.747 1.00 0.00 O ATOM 882 CB ALA A 58 2.299 1.578 4.931 1.00 0.00 C ATOM 0 H ALA A 58 -0.415 2.963 5.097 1.00 0.00 H new ATOM 0 HA ALA A 58 2.195 3.242 6.272 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.334 1.765 4.646 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.271 0.848 5.740 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.752 1.189 4.072 1.00 0.00 H new ATOM 888 N PHE A 59 2.979 4.364 4.009 1.00 0.00 N ATOM 889 CA PHE A 59 3.208 5.378 2.987 1.00 0.00 C ATOM 890 C PHE A 59 4.194 4.877 1.936 1.00 0.00 C ATOM 891 O PHE A 59 5.163 4.188 2.256 1.00 0.00 O ATOM 892 CB PHE A 59 3.735 6.665 3.624 1.00 0.00 C ATOM 893 CG PHE A 59 2.820 7.233 4.672 1.00 0.00 C ATOM 894 CD1 PHE A 59 2.514 6.506 5.811 1.00 0.00 C ATOM 895 CD2 PHE A 59 2.266 8.494 4.517 1.00 0.00 C ATOM 896 CE1 PHE A 59 1.674 7.026 6.777 1.00 0.00 C ATOM 897 CE2 PHE A 59 1.425 9.019 5.480 1.00 0.00 C ATOM 898 CZ PHE A 59 1.128 8.284 6.611 1.00 0.00 C ATOM 0 H PHE A 59 3.827 4.022 4.462 1.00 0.00 H new ATOM 0 HA PHE A 59 2.257 5.586 2.498 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.709 6.467 4.072 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.888 7.411 2.844 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.937 5.521 5.945 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.494 9.073 3.634 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.445 6.449 7.661 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.000 10.003 5.348 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.470 8.692 7.364 1.00 0.00 H new ATOM 908 N VAL A 60 3.940 5.228 0.679 1.00 0.00 N ATOM 909 CA VAL A 60 4.804 4.815 -0.420 1.00 0.00 C ATOM 910 C VAL A 60 5.057 5.969 -1.384 1.00 0.00 C ATOM 911 O VAL A 60 4.140 6.442 -2.056 1.00 0.00 O ATOM 912 CB VAL A 60 4.197 3.634 -1.199 1.00 0.00 C ATOM 913 CG1 VAL A 60 5.242 2.993 -2.099 1.00 0.00 C ATOM 914 CG2 VAL A 60 3.607 2.611 -0.240 1.00 0.00 C ATOM 0 H VAL A 60 3.142 5.798 0.397 1.00 0.00 H new ATOM 0 HA VAL A 60 5.749 4.501 0.022 1.00 0.00 H new ATOM 0 HB VAL A 60 3.393 4.013 -1.830 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.794 2.160 -2.641 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.612 3.732 -2.810 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.070 2.627 -1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.182 1.783 -0.807 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.390 2.236 0.419 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.825 3.081 0.357 1.00 0.00 H new ATOM 924 N ARG A 61 6.306 6.418 -1.446 1.00 0.00 N ATOM 925 CA ARG A 61 6.680 7.517 -2.328 1.00 0.00 C ATOM 926 C ARG A 61 6.817 7.036 -3.769 1.00 0.00 C ATOM 927 O ARG A 61 6.852 5.834 -4.033 1.00 0.00 O ATOM 928 CB ARG A 61 7.993 8.149 -1.862 1.00 0.00 C ATOM 929 CG ARG A 61 7.906 8.791 -0.487 1.00 0.00 C ATOM 930 CD ARG A 61 9.067 9.743 -0.243 1.00 0.00 C ATOM 931 NE ARG A 61 8.712 10.810 0.689 1.00 0.00 N ATOM 932 CZ ARG A 61 8.542 10.620 1.993 1.00 0.00 C ATOM 933 NH1 ARG A 61 8.694 9.410 2.515 1.00 0.00 N ATOM 934 NH2 ARG A 61 8.220 11.641 2.777 1.00 0.00 N ATOM 0 H ARG A 61 7.076 6.038 -0.896 1.00 0.00 H new ATOM 0 HA ARG A 61 5.890 8.267 -2.288 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.770 7.384 -1.848 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.301 8.903 -2.587 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.964 9.333 -0.396 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.903 8.015 0.279 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.917 9.185 0.151 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.384 10.179 -1.190 1.00 0.00 H new ATOM 0 HE ARG A 61 8.588 11.752 0.319 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.942 8.623 1.915 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.563 9.266 3.516 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.103 12.573 2.379 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.090 11.494 3.778 1.00 0.00 H new ATOM 948 N PHE A 62 6.894 7.983 -4.699 1.00 0.00 N ATOM 949 CA PHE A 62 7.026 7.656 -6.114 1.00 0.00 C ATOM 950 C PHE A 62 7.836 8.722 -6.845 1.00 0.00 C ATOM 951 O PHE A 62 8.015 9.833 -6.346 1.00 0.00 O ATOM 952 CB PHE A 62 5.645 7.517 -6.758 1.00 0.00 C ATOM 953 CG PHE A 62 4.881 6.313 -6.286 1.00 0.00 C ATOM 954 CD1 PHE A 62 4.242 6.321 -5.056 1.00 0.00 C ATOM 955 CD2 PHE A 62 4.802 5.174 -7.071 1.00 0.00 C ATOM 956 CE1 PHE A 62 3.539 5.214 -4.619 1.00 0.00 C ATOM 957 CE2 PHE A 62 4.100 4.065 -6.639 1.00 0.00 C ATOM 958 CZ PHE A 62 3.467 4.085 -5.412 1.00 0.00 C ATOM 0 H PHE A 62 6.867 8.983 -4.498 1.00 0.00 H new ATOM 0 HA PHE A 62 7.554 6.706 -6.194 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.062 8.413 -6.546 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.762 7.462 -7.840 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.294 7.201 -4.433 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.295 5.153 -8.032 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.046 5.232 -3.658 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.046 3.183 -7.260 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.917 3.220 -5.073 1.00 0.00 H new ATOM 968 N HIS A 63 8.325 8.375 -8.032 1.00 0.00 N ATOM 969 CA HIS A 63 9.116 9.302 -8.833 1.00 0.00 C ATOM 970 C HIS A 63 8.236 10.041 -9.837 1.00 0.00 C ATOM 971 O HIS A 63 8.352 11.256 -10.002 1.00 0.00 O ATOM 972 CB HIS A 63 10.229 8.553 -9.568 1.00 0.00 C ATOM 973 CG HIS A 63 11.436 8.294 -8.721 1.00 0.00 C ATOM 974 ND1 HIS A 63 12.484 9.183 -8.612 1.00 0.00 N ATOM 975 CD2 HIS A 63 11.759 7.237 -7.938 1.00 0.00 C ATOM 976 CE1 HIS A 63 13.400 8.685 -7.801 1.00 0.00 C ATOM 977 NE2 HIS A 63 12.984 7.505 -7.378 1.00 0.00 N ATOM 0 H HIS A 63 8.187 7.459 -8.460 1.00 0.00 H new ATOM 0 HA HIS A 63 9.563 10.034 -8.160 1.00 0.00 H new ATOM 0 HB2 HIS A 63 9.838 7.602 -9.930 1.00 0.00 H new ATOM 0 HB3 HIS A 63 10.527 9.129 -10.444 1.00 0.00 H new ATOM 0 HD2 HIS A 63 11.164 6.349 -7.783 1.00 0.00 H new ATOM 0 HE1 HIS A 63 14.331 9.162 -7.530 1.00 0.00 H new ATOM 0 HE2 HIS A 63 13.490 6.892 -6.739 1.00 0.00 H new ATOM 985 N ASP A 64 7.358 9.301 -10.504 1.00 0.00 N ATOM 986 CA ASP A 64 6.458 9.886 -11.491 1.00 0.00 C ATOM 987 C ASP A 64 5.141 10.304 -10.845 1.00 0.00 C ATOM 988 O ASP A 64 4.967 10.183 -9.632 1.00 0.00 O ATOM 989 CB ASP A 64 6.192 8.892 -12.623 1.00 0.00 C ATOM 990 CG ASP A 64 7.453 8.529 -13.383 1.00 0.00 C ATOM 991 OD1 ASP A 64 8.391 7.997 -12.754 1.00 0.00 O ATOM 992 OD2 ASP A 64 7.502 8.779 -14.606 1.00 0.00 O ATOM 0 H ASP A 64 7.250 8.294 -10.379 1.00 0.00 H new ATOM 0 HA ASP A 64 6.938 10.774 -11.903 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.747 7.987 -12.210 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.465 9.319 -13.314 1.00 0.00 H new ATOM 997 N ARG A 65 4.217 10.798 -11.663 1.00 0.00 N ATOM 998 CA ARG A 65 2.917 11.237 -11.171 1.00 0.00 C ATOM 999 C ARG A 65 1.793 10.418 -11.800 1.00 0.00 C ATOM 1000 O ARG A 65 0.983 9.814 -11.096 1.00 0.00 O ATOM 1001 CB ARG A 65 2.709 12.723 -11.471 1.00 0.00 C ATOM 1002 CG ARG A 65 3.825 13.612 -10.947 1.00 0.00 C ATOM 1003 CD ARG A 65 3.602 15.067 -11.325 1.00 0.00 C ATOM 1004 NE ARG A 65 2.198 15.454 -11.209 1.00 0.00 N ATOM 1005 CZ ARG A 65 1.312 15.305 -12.187 1.00 0.00 C ATOM 1006 NH1 ARG A 65 1.682 14.780 -13.347 1.00 0.00 N ATOM 1007 NH2 ARG A 65 0.052 15.680 -12.006 1.00 0.00 N ATOM 0 H ARG A 65 4.345 10.904 -12.669 1.00 0.00 H new ATOM 0 HA ARG A 65 2.895 11.085 -10.092 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.624 12.859 -12.549 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.764 13.045 -11.033 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.885 13.522 -9.862 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.780 13.273 -11.348 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.208 15.705 -10.682 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.940 15.232 -12.348 1.00 0.00 H new ATOM 0 HE ARG A 65 1.881 15.861 -10.329 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.649 14.489 -13.490 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.999 14.667 -14.096 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.237 16.083 -11.115 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.627 15.565 -12.758 1.00 0.00 H new ATOM 1021 N ARG A 66 1.751 10.403 -13.128 1.00 0.00 N ATOM 1022 CA ARG A 66 0.726 9.661 -13.851 1.00 0.00 C ATOM 1023 C ARG A 66 0.732 8.190 -13.446 1.00 0.00 C ATOM 1024 O ARG A 66 -0.256 7.479 -13.633 1.00 0.00 O ATOM 1025 CB ARG A 66 0.944 9.786 -15.360 1.00 0.00 C ATOM 1026 CG ARG A 66 2.106 8.954 -15.878 1.00 0.00 C ATOM 1027 CD ARG A 66 1.864 8.486 -17.305 1.00 0.00 C ATOM 1028 NE ARG A 66 2.610 7.269 -17.616 1.00 0.00 N ATOM 1029 CZ ARG A 66 2.397 6.534 -18.701 1.00 0.00 C ATOM 1030 NH1 ARG A 66 1.466 6.891 -19.575 1.00 0.00 N ATOM 1031 NH2 ARG A 66 3.116 5.440 -18.915 1.00 0.00 N ATOM 0 H ARG A 66 2.415 10.896 -13.725 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.244 10.087 -13.594 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.033 9.484 -15.877 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.119 10.833 -15.608 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.023 9.542 -15.837 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.253 8.090 -15.230 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.799 8.306 -17.452 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.152 9.275 -17.999 1.00 0.00 H new ATOM 0 HE ARG A 66 3.334 6.967 -16.964 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.912 7.732 -19.415 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.304 6.325 -20.408 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.834 5.162 -18.246 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.951 4.876 -19.749 1.00 0.00 H new ATOM 1045 N ASP A 67 1.852 7.739 -12.890 1.00 0.00 N ATOM 1046 CA ASP A 67 1.987 6.353 -12.458 1.00 0.00 C ATOM 1047 C ASP A 67 1.210 6.108 -11.168 1.00 0.00 C ATOM 1048 O ASP A 67 0.421 5.168 -11.077 1.00 0.00 O ATOM 1049 CB ASP A 67 3.462 6.002 -12.253 1.00 0.00 C ATOM 1050 CG ASP A 67 4.075 6.739 -11.079 1.00 0.00 C ATOM 1051 OD1 ASP A 67 3.762 7.935 -10.900 1.00 0.00 O ATOM 1052 OD2 ASP A 67 4.869 6.121 -10.339 1.00 0.00 O ATOM 0 H ASP A 67 2.679 8.314 -12.728 1.00 0.00 H new ATOM 0 HA ASP A 67 1.574 5.713 -13.238 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.558 4.928 -12.094 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.019 6.241 -13.159 1.00 0.00 H new ATOM 1057 N ALA A 68 1.438 6.960 -10.174 1.00 0.00 N ATOM 1058 CA ALA A 68 0.759 6.836 -8.891 1.00 0.00 C ATOM 1059 C ALA A 68 -0.756 6.855 -9.067 1.00 0.00 C ATOM 1060 O ALA A 68 -1.485 6.211 -8.314 1.00 0.00 O ATOM 1061 CB ALA A 68 1.196 7.951 -7.952 1.00 0.00 C ATOM 0 H ALA A 68 2.088 7.744 -10.233 1.00 0.00 H new ATOM 0 HA ALA A 68 1.036 5.877 -8.453 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.681 7.846 -6.997 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.272 7.891 -7.792 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.948 8.916 -8.393 1.00 0.00 H new ATOM 1067 N GLN A 69 -1.221 7.598 -10.066 1.00 0.00 N ATOM 1068 CA GLN A 69 -2.650 7.701 -10.340 1.00 0.00 C ATOM 1069 C GLN A 69 -3.199 6.381 -10.868 1.00 0.00 C ATOM 1070 O GLN A 69 -4.360 6.042 -10.636 1.00 0.00 O ATOM 1071 CB GLN A 69 -2.918 8.820 -11.348 1.00 0.00 C ATOM 1072 CG GLN A 69 -3.158 10.175 -10.704 1.00 0.00 C ATOM 1073 CD GLN A 69 -4.605 10.381 -10.299 1.00 0.00 C ATOM 1074 OE1 GLN A 69 -5.153 9.619 -9.503 1.00 0.00 O ATOM 1075 NE2 GLN A 69 -5.231 11.416 -10.846 1.00 0.00 N ATOM 0 H GLN A 69 -0.630 8.137 -10.699 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.158 7.936 -9.405 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.070 8.896 -12.028 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.787 8.554 -11.950 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.521 10.273 -9.825 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.864 10.961 -11.400 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.738 12.022 -11.501 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -6.205 11.605 -10.611 1.00 0.00 H new ATOM 1084 N ASP A 70 -2.359 5.639 -11.581 1.00 0.00 N ATOM 1085 CA ASP A 70 -2.760 4.354 -12.143 1.00 0.00 C ATOM 1086 C ASP A 70 -2.725 3.261 -11.080 1.00 0.00 C ATOM 1087 O ASP A 70 -3.718 2.571 -10.852 1.00 0.00 O ATOM 1088 CB ASP A 70 -1.848 3.977 -13.311 1.00 0.00 C ATOM 1089 CG ASP A 70 -2.361 4.499 -14.639 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -3.503 4.155 -15.010 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -1.620 5.251 -15.306 1.00 0.00 O ATOM 0 H ASP A 70 -1.395 5.905 -11.784 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.783 4.448 -12.507 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.849 4.373 -13.130 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.757 2.892 -13.361 1.00 0.00 H new ATOM 1096 N ALA A 71 -1.574 3.110 -10.432 1.00 0.00 N ATOM 1097 CA ALA A 71 -1.410 2.102 -9.392 1.00 0.00 C ATOM 1098 C ALA A 71 -2.599 2.098 -8.438 1.00 0.00 C ATOM 1099 O ALA A 71 -3.109 1.040 -8.073 1.00 0.00 O ATOM 1100 CB ALA A 71 -0.117 2.339 -8.627 1.00 0.00 C ATOM 0 H ALA A 71 -0.742 3.673 -10.609 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.361 1.125 -9.872 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.007 1.579 -7.853 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.728 2.282 -9.314 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.143 3.326 -8.165 1.00 0.00 H new ATOM 1106 N GLU A 72 -3.034 3.289 -8.038 1.00 0.00 N ATOM 1107 CA GLU A 72 -4.163 3.421 -7.124 1.00 0.00 C ATOM 1108 C GLU A 72 -5.435 2.849 -7.744 1.00 0.00 C ATOM 1109 O GLU A 72 -5.885 1.765 -7.376 1.00 0.00 O ATOM 1110 CB GLU A 72 -4.379 4.890 -6.754 1.00 0.00 C ATOM 1111 CG GLU A 72 -5.585 5.121 -5.859 1.00 0.00 C ATOM 1112 CD GLU A 72 -6.860 5.349 -6.647 1.00 0.00 C ATOM 1113 OE1 GLU A 72 -6.820 6.117 -7.631 1.00 0.00 O ATOM 1114 OE2 GLU A 72 -7.898 4.760 -6.279 1.00 0.00 O ATOM 0 H GLU A 72 -2.623 4.175 -8.332 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.934 2.856 -6.220 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.487 5.264 -6.251 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.498 5.472 -7.668 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.716 4.260 -5.203 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.398 5.984 -5.219 1.00 0.00 H new ATOM 1121 N ALA A 73 -6.009 3.588 -8.689 1.00 0.00 N ATOM 1122 CA ALA A 73 -7.228 3.155 -9.361 1.00 0.00 C ATOM 1123 C ALA A 73 -7.203 1.654 -9.630 1.00 0.00 C ATOM 1124 O ALA A 73 -8.204 0.964 -9.442 1.00 0.00 O ATOM 1125 CB ALA A 73 -7.414 3.923 -10.661 1.00 0.00 C ATOM 0 H ALA A 73 -5.649 4.488 -9.006 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.071 3.365 -8.703 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.328 3.590 -11.153 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.485 4.989 -10.447 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.562 3.741 -11.316 1.00 0.00 H new ATOM 1131 N ALA A 74 -6.052 1.155 -10.071 1.00 0.00 N ATOM 1132 CA ALA A 74 -5.897 -0.264 -10.364 1.00 0.00 C ATOM 1133 C ALA A 74 -6.158 -1.112 -9.124 1.00 0.00 C ATOM 1134 O ALA A 74 -7.021 -1.990 -9.131 1.00 0.00 O ATOM 1135 CB ALA A 74 -4.505 -0.541 -10.911 1.00 0.00 C ATOM 0 H ALA A 74 -5.214 1.713 -10.233 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.633 -0.536 -11.120 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.403 -1.605 -11.125 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.354 0.030 -11.827 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.759 -0.247 -10.173 1.00 0.00 H new ATOM 1141 N MET A 75 -5.406 -0.846 -8.061 1.00 0.00 N ATOM 1142 CA MET A 75 -5.558 -1.585 -6.813 1.00 0.00 C ATOM 1143 C MET A 75 -6.889 -1.256 -6.144 1.00 0.00 C ATOM 1144 O MET A 75 -7.763 -2.115 -6.025 1.00 0.00 O ATOM 1145 CB MET A 75 -4.403 -1.265 -5.862 1.00 0.00 C ATOM 1146 CG MET A 75 -3.210 -2.193 -6.021 1.00 0.00 C ATOM 1147 SD MET A 75 -3.648 -3.929 -5.810 1.00 0.00 S ATOM 1148 CE MET A 75 -2.034 -4.654 -5.528 1.00 0.00 C ATOM 0 H MET A 75 -4.685 -0.124 -8.039 1.00 0.00 H new ATOM 0 HA MET A 75 -5.543 -2.650 -7.047 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.079 -0.238 -6.030 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.763 -1.322 -4.835 1.00 0.00 H new ATOM 0 HG2 MET A 75 -2.773 -2.050 -7.009 1.00 0.00 H new ATOM 0 HG3 MET A 75 -2.446 -1.924 -5.292 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.071 -5.721 -5.748 1.00 0.00 H new ATOM 0 HE2 MET A 75 -1.301 -4.175 -6.178 1.00 0.00 H new ATOM 0 HE3 MET A 75 -1.746 -4.508 -4.487 1.00 0.00 H new ATOM 1158 N ASP A 76 -7.035 -0.009 -5.710 1.00 0.00 N ATOM 1159 CA ASP A 76 -8.260 0.433 -5.053 1.00 0.00 C ATOM 1160 C ASP A 76 -9.478 -0.267 -5.648 1.00 0.00 C ATOM 1161 O ASP A 76 -9.838 -0.034 -6.801 1.00 0.00 O ATOM 1162 CB ASP A 76 -8.414 1.949 -5.181 1.00 0.00 C ATOM 1163 CG ASP A 76 -9.866 2.384 -5.206 1.00 0.00 C ATOM 1164 OD1 ASP A 76 -10.603 2.042 -4.258 1.00 0.00 O ATOM 1165 OD2 ASP A 76 -10.266 3.065 -6.173 1.00 0.00 O ATOM 0 H ASP A 76 -6.321 0.714 -5.801 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.192 0.171 -3.997 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.907 2.434 -4.347 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.921 2.285 -6.093 1.00 0.00 H new ATOM 1170 N GLY A 77 -10.108 -1.126 -4.853 1.00 0.00 N ATOM 1171 CA GLY A 77 -11.279 -1.847 -5.319 1.00 0.00 C ATOM 1172 C GLY A 77 -10.930 -3.199 -5.907 1.00 0.00 C ATOM 1173 O GLY A 77 -11.527 -3.627 -6.895 1.00 0.00 O ATOM 0 H GLY A 77 -9.829 -1.336 -3.895 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.972 -1.983 -4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.795 -1.249 -6.071 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.958 -3.874 -5.301 1.00 0.00 N ATOM 1178 CA ALA A 78 -9.531 -5.186 -5.771 1.00 0.00 C ATOM 1179 C ALA A 78 -9.790 -6.258 -4.718 1.00 0.00 C ATOM 1180 O ALA A 78 -10.240 -5.958 -3.613 1.00 0.00 O ATOM 1181 CB ALA A 78 -8.057 -5.157 -6.147 1.00 0.00 C ATOM 0 H ALA A 78 -9.452 -3.533 -4.484 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.116 -5.436 -6.656 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.751 -6.143 -6.496 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.898 -4.426 -6.940 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.464 -4.881 -5.275 1.00 0.00 H new ATOM 1187 N GLU A 79 -9.503 -7.507 -5.069 1.00 0.00 N ATOM 1188 CA GLU A 79 -9.708 -8.623 -4.153 1.00 0.00 C ATOM 1189 C GLU A 79 -8.373 -9.227 -3.725 1.00 0.00 C ATOM 1190 O GLU A 79 -7.675 -9.851 -4.525 1.00 0.00 O ATOM 1191 CB GLU A 79 -10.579 -9.697 -4.809 1.00 0.00 C ATOM 1192 CG GLU A 79 -10.882 -10.875 -3.898 1.00 0.00 C ATOM 1193 CD GLU A 79 -12.102 -11.657 -4.342 1.00 0.00 C ATOM 1194 OE1 GLU A 79 -13.047 -11.033 -4.868 1.00 0.00 O ATOM 1195 OE2 GLU A 79 -12.113 -12.893 -4.163 1.00 0.00 O ATOM 0 H GLU A 79 -9.128 -7.772 -5.980 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.217 -8.244 -3.267 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.518 -9.246 -5.130 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.078 -10.061 -5.706 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.019 -11.540 -3.871 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.037 -10.513 -2.882 1.00 0.00 H new ATOM 1202 N LEU A 80 -8.024 -9.036 -2.457 1.00 0.00 N ATOM 1203 CA LEU A 80 -6.773 -9.561 -1.921 1.00 0.00 C ATOM 1204 C LEU A 80 -6.890 -9.821 -0.423 1.00 0.00 C ATOM 1205 O LEU A 80 -7.614 -9.120 0.285 1.00 0.00 O ATOM 1206 CB LEU A 80 -5.629 -8.582 -2.192 1.00 0.00 C ATOM 1207 CG LEU A 80 -5.099 -8.551 -3.626 1.00 0.00 C ATOM 1208 CD1 LEU A 80 -4.117 -7.404 -3.807 1.00 0.00 C ATOM 1209 CD2 LEU A 80 -4.444 -9.878 -3.982 1.00 0.00 C ATOM 0 H LEU A 80 -8.589 -8.522 -1.782 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.560 -10.506 -2.420 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.965 -7.579 -1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.802 -8.827 -1.525 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.940 -8.392 -4.301 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.750 -7.398 -4.833 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.618 -6.459 -3.595 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.278 -7.532 -3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.073 -9.837 -5.006 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.613 -10.068 -3.302 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.176 -10.681 -3.893 1.00 0.00 H new ATOM 1221 N ASP A 81 -6.172 -10.832 0.055 1.00 0.00 N ATOM 1222 CA ASP A 81 -6.192 -11.183 1.470 1.00 0.00 C ATOM 1223 C ASP A 81 -7.625 -11.313 1.977 1.00 0.00 C ATOM 1224 O ASP A 81 -7.937 -10.908 3.096 1.00 0.00 O ATOM 1225 CB ASP A 81 -5.442 -10.131 2.289 1.00 0.00 C ATOM 1226 CG ASP A 81 -4.961 -10.671 3.622 1.00 0.00 C ATOM 1227 OD1 ASP A 81 -4.394 -11.784 3.642 1.00 0.00 O ATOM 1228 OD2 ASP A 81 -5.150 -9.979 4.644 1.00 0.00 O ATOM 0 H ASP A 81 -5.569 -11.423 -0.517 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.695 -12.146 1.587 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.587 -9.770 1.717 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.095 -9.275 2.461 1.00 0.00 H new ATOM 1233 N GLY A 82 -8.493 -11.881 1.145 1.00 0.00 N ATOM 1234 CA GLY A 82 -9.882 -12.054 1.526 1.00 0.00 C ATOM 1235 C GLY A 82 -10.522 -10.759 1.985 1.00 0.00 C ATOM 1236 O GLY A 82 -11.437 -10.769 2.809 1.00 0.00 O ATOM 0 H GLY A 82 -8.258 -12.224 0.214 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.441 -12.452 0.679 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.947 -12.792 2.326 1.00 0.00 H new ATOM 1240 N ARG A 83 -10.040 -9.641 1.453 1.00 0.00 N ATOM 1241 CA ARG A 83 -10.569 -8.331 1.816 1.00 0.00 C ATOM 1242 C ARG A 83 -10.285 -7.308 0.720 1.00 0.00 C ATOM 1243 O ARG A 83 -9.500 -7.563 -0.192 1.00 0.00 O ATOM 1244 CB ARG A 83 -9.962 -7.861 3.139 1.00 0.00 C ATOM 1245 CG ARG A 83 -10.667 -8.418 4.364 1.00 0.00 C ATOM 1246 CD ARG A 83 -10.393 -7.571 5.597 1.00 0.00 C ATOM 1247 NE ARG A 83 -11.038 -8.115 6.789 1.00 0.00 N ATOM 1248 CZ ARG A 83 -10.905 -7.589 8.002 1.00 0.00 C ATOM 1249 NH1 ARG A 83 -10.155 -6.511 8.182 1.00 0.00 N ATOM 1250 NH2 ARG A 83 -11.524 -8.141 9.038 1.00 0.00 N ATOM 0 H ARG A 83 -9.284 -9.616 0.769 1.00 0.00 H new ATOM 0 HA ARG A 83 -11.649 -8.422 1.933 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.912 -8.152 3.171 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.992 -6.772 3.176 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.741 -8.459 4.180 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -10.335 -9.441 4.543 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.317 -7.510 5.763 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.748 -6.555 5.425 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.623 -8.944 6.685 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.678 -6.083 7.388 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.055 -6.109 9.114 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.103 -8.970 8.904 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.421 -7.736 9.969 1.00 0.00 H new ATOM 1264 N GLU A 84 -10.929 -6.149 0.819 1.00 0.00 N ATOM 1265 CA GLU A 84 -10.746 -5.088 -0.165 1.00 0.00 C ATOM 1266 C GLU A 84 -9.683 -4.095 0.298 1.00 0.00 C ATOM 1267 O GLU A 84 -9.992 -3.097 0.950 1.00 0.00 O ATOM 1268 CB GLU A 84 -12.067 -4.358 -0.413 1.00 0.00 C ATOM 1269 CG GLU A 84 -12.122 -3.634 -1.748 1.00 0.00 C ATOM 1270 CD GLU A 84 -13.532 -3.240 -2.141 1.00 0.00 C ATOM 1271 OE1 GLU A 84 -14.289 -2.787 -1.256 1.00 0.00 O ATOM 1272 OE2 GLU A 84 -13.879 -3.384 -3.331 1.00 0.00 O ATOM 0 H GLU A 84 -11.581 -5.921 1.569 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.412 -5.545 -1.096 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.884 -5.078 -0.366 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.230 -3.637 0.388 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.500 -2.740 -1.698 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.699 -4.274 -2.522 1.00 0.00 H new ATOM 1279 N LEU A 85 -8.431 -4.376 -0.044 1.00 0.00 N ATOM 1280 CA LEU A 85 -7.321 -3.509 0.336 1.00 0.00 C ATOM 1281 C LEU A 85 -7.587 -2.067 -0.086 1.00 0.00 C ATOM 1282 O LEU A 85 -7.751 -1.778 -1.272 1.00 0.00 O ATOM 1283 CB LEU A 85 -6.020 -4.006 -0.296 1.00 0.00 C ATOM 1284 CG LEU A 85 -5.604 -5.434 0.058 1.00 0.00 C ATOM 1285 CD1 LEU A 85 -4.378 -5.847 -0.742 1.00 0.00 C ATOM 1286 CD2 LEU A 85 -5.335 -5.556 1.551 1.00 0.00 C ATOM 0 H LEU A 85 -8.159 -5.197 -0.584 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.224 -3.538 1.421 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.116 -3.935 -1.379 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -5.216 -3.331 -0.002 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.423 -6.105 -0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.097 -6.866 -0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.605 -5.799 -1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.552 -5.172 -0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.040 -6.579 1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.533 -4.874 1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.239 -5.303 2.105 1.00 0.00 H new ATOM 1298 N ARG A 86 -7.626 -1.168 0.891 1.00 0.00 N ATOM 1299 CA ARG A 86 -7.871 0.244 0.620 1.00 0.00 C ATOM 1300 C ARG A 86 -6.577 0.957 0.238 1.00 0.00 C ATOM 1301 O ARG A 86 -5.765 1.296 1.099 1.00 0.00 O ATOM 1302 CB ARG A 86 -8.496 0.919 1.843 1.00 0.00 C ATOM 1303 CG ARG A 86 -10.013 0.833 1.877 1.00 0.00 C ATOM 1304 CD ARG A 86 -10.483 -0.463 2.518 1.00 0.00 C ATOM 1305 NE ARG A 86 -11.801 -0.866 2.033 1.00 0.00 N ATOM 1306 CZ ARG A 86 -12.455 -1.931 2.483 1.00 0.00 C ATOM 1307 NH1 ARG A 86 -11.918 -2.695 3.423 1.00 0.00 N ATOM 1308 NH2 ARG A 86 -13.651 -2.233 1.992 1.00 0.00 N ATOM 0 H ARG A 86 -7.491 -1.391 1.877 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.564 0.312 -0.218 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.094 0.460 2.746 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.199 1.968 1.860 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.414 1.681 2.432 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.405 0.902 0.862 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.762 -1.253 2.309 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.517 -0.341 3.601 1.00 0.00 H new ATOM 0 HE ARG A 86 -12.243 -0.299 1.310 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.000 -2.466 3.803 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.423 -3.512 3.766 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -14.068 -1.647 1.269 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.153 -3.051 2.338 1.00 0.00 H new ATOM 1322 N VAL A 87 -6.392 1.180 -1.059 1.00 0.00 N ATOM 1323 CA VAL A 87 -5.198 1.853 -1.556 1.00 0.00 C ATOM 1324 C VAL A 87 -5.550 3.179 -2.221 1.00 0.00 C ATOM 1325 O VAL A 87 -6.134 3.204 -3.304 1.00 0.00 O ATOM 1326 CB VAL A 87 -4.436 0.972 -2.564 1.00 0.00 C ATOM 1327 CG1 VAL A 87 -2.993 1.437 -2.696 1.00 0.00 C ATOM 1328 CG2 VAL A 87 -4.497 -0.490 -2.147 1.00 0.00 C ATOM 0 H VAL A 87 -7.054 0.904 -1.785 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.559 2.042 -0.693 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.915 1.069 -3.538 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.470 0.803 -3.412 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.974 2.470 -3.044 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.500 1.372 -1.726 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.954 -1.098 -2.870 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.044 -0.607 -1.162 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.537 -0.814 -2.109 1.00 0.00 H new ATOM 1338 N GLN A 88 -5.190 4.277 -1.565 1.00 0.00 N ATOM 1339 CA GLN A 88 -5.468 5.607 -2.094 1.00 0.00 C ATOM 1340 C GLN A 88 -4.282 6.540 -1.875 1.00 0.00 C ATOM 1341 O GLN A 88 -3.231 6.121 -1.389 1.00 0.00 O ATOM 1342 CB GLN A 88 -6.719 6.190 -1.433 1.00 0.00 C ATOM 1343 CG GLN A 88 -6.605 6.318 0.078 1.00 0.00 C ATOM 1344 CD GLN A 88 -7.949 6.232 0.774 1.00 0.00 C ATOM 1345 OE1 GLN A 88 -8.891 5.630 0.257 1.00 0.00 O ATOM 1346 NE2 GLN A 88 -8.045 6.834 1.953 1.00 0.00 N ATOM 0 H GLN A 88 -4.706 4.272 -0.667 1.00 0.00 H new ATOM 0 HA GLN A 88 -5.641 5.515 -3.166 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -6.920 7.173 -1.858 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -7.574 5.558 -1.672 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -5.953 5.531 0.457 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -6.133 7.269 0.324 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -7.239 7.321 2.344 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -8.925 6.809 2.468 1.00 0.00 H new ATOM 1355 N VAL A 89 -4.456 7.807 -2.237 1.00 0.00 N ATOM 1356 CA VAL A 89 -3.400 8.799 -2.079 1.00 0.00 C ATOM 1357 C VAL A 89 -3.378 9.358 -0.661 1.00 0.00 C ATOM 1358 O VAL A 89 -4.408 9.418 0.010 1.00 0.00 O ATOM 1359 CB VAL A 89 -3.569 9.962 -3.075 1.00 0.00 C ATOM 1360 CG1 VAL A 89 -2.430 10.960 -2.929 1.00 0.00 C ATOM 1361 CG2 VAL A 89 -3.648 9.435 -4.500 1.00 0.00 C ATOM 0 H VAL A 89 -5.319 8.170 -2.642 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.457 8.292 -2.281 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.503 10.478 -2.850 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.566 11.774 -3.641 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.425 11.361 -1.915 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.481 10.461 -3.126 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.767 10.270 -5.191 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.732 8.894 -4.739 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.501 8.763 -4.593 1.00 0.00 H new