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= -0.726 X(o=-0.73,f=-1) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.185 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 90:sc= 0.914 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 USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 75 MET CE :methyl -124:sc= -2.81! (180deg=-7.33!) USER MOD Single : A 88 GLN : amide:sc= -0.148 K(o=-0.15,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 144 N ILE A 14 5.021 12.793 -4.512 1.00 0.00 N ATOM 145 CA ILE A 14 3.896 11.869 -4.585 1.00 0.00 C ATOM 146 C ILE A 14 3.928 10.871 -3.433 1.00 0.00 C ATOM 147 O ILE A 14 4.978 10.317 -3.104 1.00 0.00 O ATOM 148 CB ILE A 14 3.888 11.097 -5.918 1.00 0.00 C ATOM 149 CG1 ILE A 14 3.931 12.071 -7.097 1.00 0.00 C ATOM 150 CG2 ILE A 14 2.658 10.205 -6.006 1.00 0.00 C ATOM 151 CD1 ILE A 14 2.671 12.896 -7.246 1.00 0.00 C ATOM 0 HA ILE A 14 2.989 12.470 -4.516 1.00 0.00 H new ATOM 0 HB ILE A 14 4.775 10.465 -5.960 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.782 12.741 -6.973 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.099 11.509 -8.016 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.666 9.666 -6.953 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.667 9.491 -5.182 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.759 10.818 -5.945 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.772 13.564 -8.101 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.819 12.234 -7.401 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.513 13.485 -6.343 1.00 0.00 H new ATOM 163 N THR A 15 2.769 10.644 -2.822 1.00 0.00 N ATOM 164 CA THR A 15 2.663 9.712 -1.706 1.00 0.00 C ATOM 165 C THR A 15 1.367 8.913 -1.778 1.00 0.00 C ATOM 166 O THR A 15 0.294 9.471 -2.014 1.00 0.00 O ATOM 167 CB THR A 15 2.727 10.445 -0.353 1.00 0.00 C ATOM 168 OG1 THR A 15 3.851 11.332 -0.329 1.00 0.00 O ATOM 169 CG2 THR A 15 2.833 9.454 0.796 1.00 0.00 C ATOM 0 H THR A 15 1.891 11.093 -3.081 1.00 0.00 H new ATOM 0 HA THR A 15 3.511 9.031 -1.782 1.00 0.00 H new ATOM 0 HB THR A 15 1.808 11.019 -0.233 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.884 11.795 0.534 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.877 9.996 1.741 1.00 0.00 H new ATOM 0 HG22 THR A 15 1.962 8.799 0.793 1.00 0.00 H new ATOM 0 HG23 THR A 15 3.737 8.856 0.678 1.00 0.00 H new ATOM 177 N LEU A 16 1.471 7.605 -1.571 1.00 0.00 N ATOM 178 CA LEU A 16 0.305 6.729 -1.611 1.00 0.00 C ATOM 179 C LEU A 16 0.008 6.154 -0.230 1.00 0.00 C ATOM 180 O LEU A 16 0.867 5.529 0.392 1.00 0.00 O ATOM 181 CB LEU A 16 0.530 5.594 -2.612 1.00 0.00 C ATOM 182 CG LEU A 16 0.350 5.953 -4.087 1.00 0.00 C ATOM 183 CD1 LEU A 16 0.360 4.699 -4.947 1.00 0.00 C ATOM 184 CD2 LEU A 16 -0.941 6.733 -4.292 1.00 0.00 C ATOM 0 H LEU A 16 2.351 7.128 -1.374 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.553 7.321 -1.929 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.540 5.209 -2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.156 4.782 -2.370 1.00 0.00 H new ATOM 0 HG LEU A 16 1.185 6.584 -4.392 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.231 4.975 -5.994 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.311 4.180 -4.823 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.454 4.042 -4.642 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.053 6.980 -5.348 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.787 6.127 -3.970 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.908 7.651 -3.706 1.00 0.00 H new ATOM 196 N LYS A 17 -1.215 6.367 0.243 1.00 0.00 N ATOM 197 CA LYS A 17 -1.628 5.868 1.549 1.00 0.00 C ATOM 198 C LYS A 17 -2.289 4.499 1.424 1.00 0.00 C ATOM 199 O LYS A 17 -3.296 4.346 0.733 1.00 0.00 O ATOM 200 CB LYS A 17 -2.593 6.853 2.213 1.00 0.00 C ATOM 201 CG LYS A 17 -3.294 6.287 3.436 1.00 0.00 C ATOM 202 CD LYS A 17 -3.754 7.390 4.375 1.00 0.00 C ATOM 203 CE LYS A 17 -3.806 6.908 5.817 1.00 0.00 C ATOM 204 NZ LYS A 17 -4.518 7.874 6.699 1.00 0.00 N ATOM 0 H LYS A 17 -1.938 6.882 -0.259 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.738 5.767 2.170 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.043 7.749 2.502 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.343 7.161 1.485 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.153 5.693 3.122 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.618 5.615 3.966 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.077 8.240 4.299 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.741 7.740 4.071 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.307 5.941 5.859 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.792 6.758 6.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.532 7.510 7.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.026 8.790 6.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.494 7.998 6.362 1.00 0.00 H new ATOM 218 N VAL A 18 -1.716 3.506 2.098 1.00 0.00 N ATOM 219 CA VAL A 18 -2.251 2.151 2.064 1.00 0.00 C ATOM 220 C VAL A 18 -2.754 1.724 3.438 1.00 0.00 C ATOM 221 O VAL A 18 -2.123 2.005 4.457 1.00 0.00 O ATOM 222 CB VAL A 18 -1.192 1.141 1.581 1.00 0.00 C ATOM 223 CG1 VAL A 18 -1.838 -0.200 1.265 1.00 0.00 C ATOM 224 CG2 VAL A 18 -0.453 1.685 0.368 1.00 0.00 C ATOM 0 H VAL A 18 -0.881 3.615 2.674 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.084 2.158 1.361 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.468 0.989 2.381 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.075 -0.900 0.925 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.318 -0.593 2.161 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.584 -0.069 0.482 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.291 0.959 0.040 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.163 1.867 -0.439 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.043 2.619 0.633 1.00 0.00 H new ATOM 234 N ASP A 19 -3.895 1.043 3.459 1.00 0.00 N ATOM 235 CA ASP A 19 -4.483 0.575 4.708 1.00 0.00 C ATOM 236 C ASP A 19 -4.746 -0.927 4.657 1.00 0.00 C ATOM 237 O ASP A 19 -4.407 -1.593 3.679 1.00 0.00 O ATOM 238 CB ASP A 19 -5.785 1.323 4.995 1.00 0.00 C ATOM 239 CG ASP A 19 -6.069 1.443 6.480 1.00 0.00 C ATOM 240 OD1 ASP A 19 -5.125 1.276 7.280 1.00 0.00 O ATOM 241 OD2 ASP A 19 -7.236 1.706 6.841 1.00 0.00 O ATOM 0 H ASP A 19 -4.431 0.803 2.625 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.773 0.774 5.511 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.732 2.320 4.556 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.613 0.805 4.511 1.00 0.00 H new ATOM 246 N ASN A 20 -5.351 -1.454 5.716 1.00 0.00 N ATOM 247 CA ASN A 20 -5.658 -2.877 5.792 1.00 0.00 C ATOM 248 C ASN A 20 -4.473 -3.715 5.321 1.00 0.00 C ATOM 249 O ASN A 20 -4.617 -4.591 4.467 1.00 0.00 O ATOM 250 CB ASN A 20 -6.892 -3.200 4.948 1.00 0.00 C ATOM 251 CG ASN A 20 -7.284 -4.663 5.032 1.00 0.00 C ATOM 252 OD1 ASN A 20 -7.155 -5.292 6.083 1.00 0.00 O ATOM 253 ND2 ASN A 20 -7.766 -5.211 3.923 1.00 0.00 N ATOM 0 H ASN A 20 -5.639 -0.917 6.534 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.864 -3.123 6.834 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.727 -2.583 5.280 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.696 -2.938 3.908 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -8.047 -6.192 3.919 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -7.855 -4.652 3.075 1.00 0.00 H new ATOM 260 N LEU A 21 -3.301 -3.441 5.884 1.00 0.00 N ATOM 261 CA LEU A 21 -2.090 -4.170 5.523 1.00 0.00 C ATOM 262 C LEU A 21 -1.731 -5.194 6.595 1.00 0.00 C ATOM 263 O LEU A 21 -1.215 -4.844 7.657 1.00 0.00 O ATOM 264 CB LEU A 21 -0.926 -3.197 5.322 1.00 0.00 C ATOM 265 CG LEU A 21 -0.886 -2.468 3.979 1.00 0.00 C ATOM 266 CD1 LEU A 21 0.275 -1.486 3.939 1.00 0.00 C ATOM 267 CD2 LEU A 21 -0.782 -3.465 2.834 1.00 0.00 C ATOM 0 H LEU A 21 -3.164 -2.720 6.592 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.279 -4.699 4.589 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.960 -2.452 6.117 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.007 -3.748 5.442 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.814 -1.908 3.864 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.288 -0.976 2.976 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.158 -0.752 4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.212 -2.025 4.077 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.755 -2.928 1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.129 -4.053 2.945 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.646 -4.129 2.850 1.00 0.00 H new ATOM 279 N THR A 22 -2.005 -6.463 6.308 1.00 0.00 N ATOM 280 CA THR A 22 -1.711 -7.539 7.246 1.00 0.00 C ATOM 281 C THR A 22 -0.257 -7.489 7.702 1.00 0.00 C ATOM 282 O THR A 22 0.621 -7.046 6.961 1.00 0.00 O ATOM 283 CB THR A 22 -1.994 -8.920 6.624 1.00 0.00 C ATOM 284 OG1 THR A 22 -1.269 -9.933 7.329 1.00 0.00 O ATOM 285 CG2 THR A 22 -1.605 -8.941 5.153 1.00 0.00 C ATOM 0 H THR A 22 -2.430 -6.770 5.433 1.00 0.00 H new ATOM 0 HA THR A 22 -2.364 -7.395 8.106 1.00 0.00 H new ATOM 0 HB THR A 22 -3.063 -9.118 6.704 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.456 -10.808 6.928 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.814 -9.926 4.735 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.181 -8.189 4.614 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.541 -8.723 5.055 1.00 0.00 H new ATOM 293 N TYR A 23 -0.010 -7.946 8.924 1.00 0.00 N ATOM 294 CA TYR A 23 1.339 -7.951 9.480 1.00 0.00 C ATOM 295 C TYR A 23 2.307 -8.678 8.552 1.00 0.00 C ATOM 296 O TYR A 23 3.496 -8.363 8.507 1.00 0.00 O ATOM 297 CB TYR A 23 1.342 -8.612 10.859 1.00 0.00 C ATOM 298 CG TYR A 23 1.425 -10.121 10.807 1.00 0.00 C ATOM 299 CD1 TYR A 23 2.646 -10.764 10.642 1.00 0.00 C ATOM 300 CD2 TYR A 23 0.283 -10.904 10.921 1.00 0.00 C ATOM 301 CE1 TYR A 23 2.727 -12.142 10.593 1.00 0.00 C ATOM 302 CE2 TYR A 23 0.355 -12.283 10.875 1.00 0.00 C ATOM 303 CZ TYR A 23 1.579 -12.897 10.710 1.00 0.00 C ATOM 304 OH TYR A 23 1.654 -14.270 10.662 1.00 0.00 O ATOM 0 H TYR A 23 -0.725 -8.318 9.549 1.00 0.00 H new ATOM 0 HA TYR A 23 1.668 -6.917 9.580 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.185 -8.230 11.434 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.436 -8.324 11.392 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.547 -10.176 10.550 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.677 -10.427 11.048 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.684 -12.625 10.464 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -0.542 -12.877 10.968 1.00 0.00 H new ATOM 0 HH TYR A 23 0.756 -14.650 10.761 1.00 0.00 H new ATOM 314 N ARG A 24 1.789 -9.653 7.813 1.00 0.00 N ATOM 315 CA ARG A 24 2.606 -10.427 6.886 1.00 0.00 C ATOM 316 C ARG A 24 3.215 -9.526 5.816 1.00 0.00 C ATOM 317 O ARG A 24 4.248 -9.850 5.229 1.00 0.00 O ATOM 318 CB ARG A 24 1.768 -11.524 6.227 1.00 0.00 C ATOM 319 CG ARG A 24 1.578 -12.753 7.102 1.00 0.00 C ATOM 320 CD ARG A 24 2.801 -13.655 7.070 1.00 0.00 C ATOM 321 NE ARG A 24 2.891 -14.412 5.824 1.00 0.00 N ATOM 322 CZ ARG A 24 3.583 -15.539 5.698 1.00 0.00 C ATOM 323 NH1 ARG A 24 4.242 -16.036 6.735 1.00 0.00 N ATOM 324 NH2 ARG A 24 3.616 -16.171 4.531 1.00 0.00 N ATOM 0 H ARG A 24 0.807 -9.926 7.838 1.00 0.00 H new ATOM 0 HA ARG A 24 3.415 -10.888 7.452 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.790 -11.117 5.969 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.245 -11.823 5.294 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.380 -12.443 8.128 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.705 -13.310 6.763 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.700 -13.051 7.193 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.764 -14.346 7.912 1.00 0.00 H new ATOM 0 HE ARG A 24 2.396 -14.056 5.006 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.219 -15.553 7.633 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.772 -16.902 6.635 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.110 -15.791 3.731 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.147 -17.036 4.434 1.00 0.00 H new ATOM 338 N THR A 25 2.569 -8.391 5.566 1.00 0.00 N ATOM 339 CA THR A 25 3.045 -7.444 4.567 1.00 0.00 C ATOM 340 C THR A 25 4.437 -6.930 4.915 1.00 0.00 C ATOM 341 O THR A 25 4.769 -6.754 6.087 1.00 0.00 O ATOM 342 CB THR A 25 2.088 -6.245 4.427 1.00 0.00 C ATOM 343 OG1 THR A 25 0.742 -6.709 4.266 1.00 0.00 O ATOM 344 CG2 THR A 25 2.476 -5.377 3.240 1.00 0.00 C ATOM 0 H THR A 25 1.714 -8.106 6.043 1.00 0.00 H new ATOM 0 HA THR A 25 3.085 -7.980 3.619 1.00 0.00 H new ATOM 0 HB THR A 25 2.159 -5.644 5.334 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.321 -6.803 5.146 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.785 -4.537 3.162 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.490 -5.002 3.380 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.431 -5.969 2.326 1.00 0.00 H new ATOM 352 N SER A 26 5.248 -6.690 3.890 1.00 0.00 N ATOM 353 CA SER A 26 6.607 -6.199 4.089 1.00 0.00 C ATOM 354 C SER A 26 6.977 -5.176 3.018 1.00 0.00 C ATOM 355 O SER A 26 6.392 -5.134 1.936 1.00 0.00 O ATOM 356 CB SER A 26 7.601 -7.362 4.064 1.00 0.00 C ATOM 357 OG SER A 26 7.782 -7.905 5.360 1.00 0.00 O ATOM 0 H SER A 26 4.988 -6.827 2.913 1.00 0.00 H new ATOM 0 HA SER A 26 6.652 -5.712 5.063 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.241 -8.138 3.388 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.559 -7.018 3.673 1.00 0.00 H new ATOM 0 HG SER A 26 8.420 -8.648 5.317 1.00 0.00 H new ATOM 363 N PRO A 27 7.972 -4.332 3.327 1.00 0.00 N ATOM 364 CA PRO A 27 8.444 -3.294 2.406 1.00 0.00 C ATOM 365 C PRO A 27 8.642 -3.823 0.990 1.00 0.00 C ATOM 366 O PRO A 27 8.210 -3.201 0.019 1.00 0.00 O ATOM 367 CB PRO A 27 9.784 -2.866 3.010 1.00 0.00 C ATOM 368 CG PRO A 27 9.649 -3.144 4.467 1.00 0.00 C ATOM 369 CD PRO A 27 8.714 -4.326 4.599 1.00 0.00 C ATOM 0 HA PRO A 27 7.726 -2.479 2.307 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.611 -3.427 2.575 1.00 0.00 H new ATOM 0 HB3 PRO A 27 9.982 -1.810 2.825 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.620 -3.367 4.910 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.251 -2.275 4.992 1.00 0.00 H new ATOM 0 HD2 PRO A 27 9.263 -5.256 4.746 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.045 -4.213 5.452 1.00 0.00 H new ATOM 377 N ASP A 28 9.297 -4.973 0.879 1.00 0.00 N ATOM 378 CA ASP A 28 9.552 -5.586 -0.420 1.00 0.00 C ATOM 379 C ASP A 28 8.247 -5.822 -1.174 1.00 0.00 C ATOM 380 O ASP A 28 8.051 -5.303 -2.273 1.00 0.00 O ATOM 381 CB ASP A 28 10.300 -6.908 -0.245 1.00 0.00 C ATOM 382 CG ASP A 28 11.752 -6.705 0.140 1.00 0.00 C ATOM 383 OD1 ASP A 28 12.596 -6.580 -0.772 1.00 0.00 O ATOM 384 OD2 ASP A 28 12.045 -6.671 1.354 1.00 0.00 O ATOM 0 H ASP A 28 9.661 -5.500 1.673 1.00 0.00 H new ATOM 0 HA ASP A 28 10.169 -4.902 -1.003 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.804 -7.504 0.521 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.249 -7.476 -1.174 1.00 0.00 H new ATOM 389 N SER A 29 7.358 -6.609 -0.577 1.00 0.00 N ATOM 390 CA SER A 29 6.073 -6.918 -1.195 1.00 0.00 C ATOM 391 C SER A 29 5.297 -5.641 -1.502 1.00 0.00 C ATOM 392 O SER A 29 4.905 -5.399 -2.644 1.00 0.00 O ATOM 393 CB SER A 29 5.247 -7.822 -0.278 1.00 0.00 C ATOM 394 OG SER A 29 4.125 -8.353 -0.962 1.00 0.00 O ATOM 0 H SER A 29 7.503 -7.044 0.334 1.00 0.00 H new ATOM 0 HA SER A 29 6.264 -7.440 -2.132 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.870 -8.636 0.092 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.913 -7.256 0.591 1.00 0.00 H new ATOM 0 HG SER A 29 3.614 -8.929 -0.355 1.00 0.00 H new ATOM 400 N LEU A 30 5.080 -4.827 -0.475 1.00 0.00 N ATOM 401 CA LEU A 30 4.351 -3.573 -0.634 1.00 0.00 C ATOM 402 C LEU A 30 4.909 -2.762 -1.799 1.00 0.00 C ATOM 403 O LEU A 30 4.168 -2.074 -2.500 1.00 0.00 O ATOM 404 CB LEU A 30 4.423 -2.752 0.655 1.00 0.00 C ATOM 405 CG LEU A 30 3.845 -1.338 0.583 1.00 0.00 C ATOM 406 CD1 LEU A 30 2.341 -1.387 0.361 1.00 0.00 C ATOM 407 CD2 LEU A 30 4.173 -0.563 1.850 1.00 0.00 C ATOM 0 H LEU A 30 5.398 -5.012 0.476 1.00 0.00 H new ATOM 0 HA LEU A 30 3.309 -3.812 -0.848 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.899 -3.298 1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.467 -2.681 0.959 1.00 0.00 H new ATOM 0 HG LEU A 30 4.300 -0.823 -0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.947 -0.372 0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.128 -1.904 -0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.869 -1.920 1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.754 0.441 1.781 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.746 -1.076 2.711 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.255 -0.497 1.967 1.00 0.00 H new ATOM 419 N ARG A 31 6.220 -2.850 -2.000 1.00 0.00 N ATOM 420 CA ARG A 31 6.877 -2.125 -3.081 1.00 0.00 C ATOM 421 C ARG A 31 6.511 -2.722 -4.437 1.00 0.00 C ATOM 422 O ARG A 31 6.069 -2.011 -5.339 1.00 0.00 O ATOM 423 CB ARG A 31 8.395 -2.152 -2.892 1.00 0.00 C ATOM 424 CG ARG A 31 9.153 -1.349 -3.936 1.00 0.00 C ATOM 425 CD ARG A 31 10.563 -1.883 -4.135 1.00 0.00 C ATOM 426 NE ARG A 31 10.592 -3.023 -5.048 1.00 0.00 N ATOM 427 CZ ARG A 31 11.695 -3.455 -5.649 1.00 0.00 C ATOM 428 NH1 ARG A 31 12.853 -2.845 -5.435 1.00 0.00 N ATOM 429 NH2 ARG A 31 11.642 -4.499 -6.466 1.00 0.00 N ATOM 0 H ARG A 31 6.848 -3.416 -1.429 1.00 0.00 H new ATOM 0 HA ARG A 31 6.533 -1.091 -3.054 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.636 -1.765 -1.902 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.738 -3.186 -2.922 1.00 0.00 H new ATOM 0 HG2 ARG A 31 8.614 -1.381 -4.883 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.199 -0.304 -3.630 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.200 -1.089 -4.526 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.978 -2.179 -3.172 1.00 0.00 H new ATOM 0 HE ARG A 31 9.718 -3.514 -5.234 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.898 -2.042 -4.808 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.698 -3.179 -5.898 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.753 -4.971 -6.633 1.00 0.00 H new ATOM 0 HH22 ARG A 31 12.490 -4.830 -6.927 1.00 0.00 H new ATOM 443 N ARG A 32 6.700 -4.030 -4.572 1.00 0.00 N ATOM 444 CA ARG A 32 6.392 -4.722 -5.818 1.00 0.00 C ATOM 445 C ARG A 32 4.969 -4.413 -6.273 1.00 0.00 C ATOM 446 O ARG A 32 4.673 -4.419 -7.469 1.00 0.00 O ATOM 447 CB ARG A 32 6.566 -6.232 -5.644 1.00 0.00 C ATOM 448 CG ARG A 32 6.991 -6.946 -6.917 1.00 0.00 C ATOM 449 CD ARG A 32 8.500 -6.902 -7.103 1.00 0.00 C ATOM 450 NE ARG A 32 8.905 -7.404 -8.413 1.00 0.00 N ATOM 451 CZ ARG A 32 10.168 -7.457 -8.822 1.00 0.00 C ATOM 452 NH1 ARG A 32 11.143 -7.040 -8.027 1.00 0.00 N ATOM 453 NH2 ARG A 32 10.457 -7.927 -10.028 1.00 0.00 N ATOM 0 H ARG A 32 7.065 -4.632 -3.834 1.00 0.00 H new ATOM 0 HA ARG A 32 7.085 -4.369 -6.582 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.309 -6.417 -4.868 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.627 -6.660 -5.294 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.658 -7.983 -6.882 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.504 -6.483 -7.775 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.850 -5.877 -6.984 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.979 -7.495 -6.324 1.00 0.00 H new ATOM 0 HE ARG A 32 8.178 -7.732 -9.049 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.924 -6.677 -7.099 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.112 -7.082 -8.343 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.709 -8.248 -10.643 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.427 -7.967 -10.341 1.00 0.00 H new ATOM 467 N VAL A 33 4.090 -4.143 -5.313 1.00 0.00 N ATOM 468 CA VAL A 33 2.699 -3.831 -5.615 1.00 0.00 C ATOM 469 C VAL A 33 2.598 -2.731 -6.666 1.00 0.00 C ATOM 470 O VAL A 33 1.874 -2.866 -7.653 1.00 0.00 O ATOM 471 CB VAL A 33 1.935 -3.390 -4.352 1.00 0.00 C ATOM 472 CG1 VAL A 33 0.529 -2.934 -4.710 1.00 0.00 C ATOM 473 CG2 VAL A 33 1.896 -4.518 -3.332 1.00 0.00 C ATOM 0 H VAL A 33 4.317 -4.134 -4.319 1.00 0.00 H new ATOM 0 HA VAL A 33 2.248 -4.744 -6.004 1.00 0.00 H new ATOM 0 HB VAL A 33 2.462 -2.546 -3.906 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.005 -2.626 -3.805 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.584 -2.093 -5.401 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.011 -3.755 -5.181 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.353 -4.189 -2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.394 -5.383 -3.765 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.914 -4.791 -3.053 1.00 0.00 H new ATOM 483 N PHE A 34 3.329 -1.644 -6.449 1.00 0.00 N ATOM 484 CA PHE A 34 3.322 -0.519 -7.378 1.00 0.00 C ATOM 485 C PHE A 34 4.539 -0.566 -8.297 1.00 0.00 C ATOM 486 O PHE A 34 4.553 0.059 -9.357 1.00 0.00 O ATOM 487 CB PHE A 34 3.300 0.804 -6.610 1.00 0.00 C ATOM 488 CG PHE A 34 2.368 0.798 -5.432 1.00 0.00 C ATOM 489 CD1 PHE A 34 1.044 0.416 -5.581 1.00 0.00 C ATOM 490 CD2 PHE A 34 2.816 1.173 -4.176 1.00 0.00 C ATOM 491 CE1 PHE A 34 0.184 0.409 -4.499 1.00 0.00 C ATOM 492 CE2 PHE A 34 1.960 1.168 -3.090 1.00 0.00 C ATOM 493 CZ PHE A 34 0.643 0.786 -3.252 1.00 0.00 C ATOM 0 H PHE A 34 3.934 -1.517 -5.638 1.00 0.00 H new ATOM 0 HA PHE A 34 2.423 -0.591 -7.990 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.308 1.031 -6.264 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.008 1.605 -7.290 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.680 0.120 -6.554 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.845 1.473 -4.043 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.845 0.109 -4.628 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.321 1.463 -2.116 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.027 0.782 -2.405 1.00 0.00 H new ATOM 503 N GLU A 35 5.559 -1.311 -7.882 1.00 0.00 N ATOM 504 CA GLU A 35 6.781 -1.438 -8.667 1.00 0.00 C ATOM 505 C GLU A 35 6.479 -1.986 -10.059 1.00 0.00 C ATOM 506 O GLU A 35 7.092 -1.580 -11.046 1.00 0.00 O ATOM 507 CB GLU A 35 7.780 -2.351 -7.954 1.00 0.00 C ATOM 508 CG GLU A 35 9.232 -2.014 -8.250 1.00 0.00 C ATOM 509 CD GLU A 35 9.549 -2.053 -9.732 1.00 0.00 C ATOM 510 OE1 GLU A 35 9.374 -3.125 -10.348 1.00 0.00 O ATOM 511 OE2 GLU A 35 9.971 -1.012 -10.277 1.00 0.00 O ATOM 0 H GLU A 35 5.563 -1.835 -7.007 1.00 0.00 H new ATOM 0 HA GLU A 35 7.219 -0.445 -8.773 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.613 -2.288 -6.879 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.589 -3.383 -8.246 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.458 -1.021 -7.860 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.879 -2.717 -7.725 1.00 0.00 H new ATOM 518 N LYS A 36 5.529 -2.913 -10.130 1.00 0.00 N ATOM 519 CA LYS A 36 5.143 -3.518 -11.399 1.00 0.00 C ATOM 520 C LYS A 36 4.711 -2.452 -12.401 1.00 0.00 C ATOM 521 O LYS A 36 4.630 -2.712 -13.602 1.00 0.00 O ATOM 522 CB LYS A 36 4.008 -4.522 -11.185 1.00 0.00 C ATOM 523 CG LYS A 36 2.723 -3.888 -10.679 1.00 0.00 C ATOM 524 CD LYS A 36 1.707 -4.941 -10.268 1.00 0.00 C ATOM 525 CE LYS A 36 1.268 -5.785 -11.455 1.00 0.00 C ATOM 526 NZ LYS A 36 0.362 -6.893 -11.043 1.00 0.00 N ATOM 0 H LYS A 36 5.012 -3.262 -9.323 1.00 0.00 H new ATOM 0 HA LYS A 36 6.010 -4.040 -11.802 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.805 -5.034 -12.126 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.334 -5.280 -10.473 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.944 -3.243 -9.829 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.298 -3.254 -11.457 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.139 -5.585 -9.502 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.838 -4.456 -9.824 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.760 -5.152 -12.183 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.146 -6.199 -11.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.085 -7.445 -11.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.855 -7.512 -10.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.488 -6.497 -10.593 1.00 0.00 H new ATOM 540 N TYR A 37 4.436 -1.253 -11.900 1.00 0.00 N ATOM 541 CA TYR A 37 4.011 -0.148 -12.752 1.00 0.00 C ATOM 542 C TYR A 37 5.131 0.875 -12.915 1.00 0.00 C ATOM 543 O TYR A 37 5.641 1.084 -14.015 1.00 0.00 O ATOM 544 CB TYR A 37 2.770 0.527 -12.166 1.00 0.00 C ATOM 545 CG TYR A 37 1.617 -0.423 -11.934 1.00 0.00 C ATOM 546 CD1 TYR A 37 0.978 -1.046 -12.999 1.00 0.00 C ATOM 547 CD2 TYR A 37 1.166 -0.699 -10.648 1.00 0.00 C ATOM 548 CE1 TYR A 37 -0.076 -1.914 -12.792 1.00 0.00 C ATOM 549 CE2 TYR A 37 0.113 -1.567 -10.432 1.00 0.00 C ATOM 550 CZ TYR A 37 -0.505 -2.171 -11.506 1.00 0.00 C ATOM 551 OH TYR A 37 -1.554 -3.036 -11.295 1.00 0.00 O ATOM 0 H TYR A 37 4.500 -1.021 -10.909 1.00 0.00 H new ATOM 0 HA TYR A 37 3.767 -0.552 -13.734 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.036 1.000 -11.221 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.446 1.321 -12.839 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.312 -0.848 -14.007 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.647 -0.227 -9.804 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.562 -2.389 -13.632 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.224 -1.771 -9.427 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.730 -3.108 -10.334 1.00 0.00 H new ATOM 561 N GLY A 38 5.509 1.511 -11.810 1.00 0.00 N ATOM 562 CA GLY A 38 6.566 2.505 -11.851 1.00 0.00 C ATOM 563 C GLY A 38 7.603 2.293 -10.766 1.00 0.00 C ATOM 564 O GLY A 38 7.801 1.172 -10.298 1.00 0.00 O ATOM 0 H GLY A 38 5.102 1.356 -10.888 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.053 2.473 -12.826 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.131 3.499 -11.744 1.00 0.00 H new ATOM 568 N ARG A 39 8.267 3.372 -10.365 1.00 0.00 N ATOM 569 CA ARG A 39 9.291 3.299 -9.331 1.00 0.00 C ATOM 570 C ARG A 39 8.726 3.713 -7.976 1.00 0.00 C ATOM 571 O ARG A 39 7.932 4.650 -7.882 1.00 0.00 O ATOM 572 CB ARG A 39 10.479 4.192 -9.695 1.00 0.00 C ATOM 573 CG ARG A 39 11.293 3.673 -10.869 1.00 0.00 C ATOM 574 CD ARG A 39 12.265 4.725 -11.380 1.00 0.00 C ATOM 575 NE ARG A 39 11.655 5.594 -12.383 1.00 0.00 N ATOM 576 CZ ARG A 39 12.322 6.530 -13.048 1.00 0.00 C ATOM 577 NH1 ARG A 39 13.614 6.717 -12.820 1.00 0.00 N ATOM 578 NH2 ARG A 39 11.696 7.281 -13.946 1.00 0.00 N ATOM 0 H ARG A 39 8.114 4.308 -10.741 1.00 0.00 H new ATOM 0 HA ARG A 39 9.630 2.265 -9.263 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.113 5.191 -9.931 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.130 4.288 -8.826 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.844 2.783 -10.566 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.622 3.374 -11.674 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.618 5.329 -10.544 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.138 4.234 -11.809 1.00 0.00 H new ATOM 0 HE ARG A 39 10.662 5.475 -12.584 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.099 6.141 -12.132 1.00 0.00 H new ATOM 0 HH12 ARG A 39 14.123 7.437 -13.333 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.702 7.139 -14.126 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.209 8.000 -14.456 1.00 0.00 H new ATOM 592 N VAL A 40 9.140 3.009 -6.927 1.00 0.00 N ATOM 593 CA VAL A 40 8.676 3.304 -5.577 1.00 0.00 C ATOM 594 C VAL A 40 9.739 4.053 -4.781 1.00 0.00 C ATOM 595 O VAL A 40 10.617 3.444 -4.172 1.00 0.00 O ATOM 596 CB VAL A 40 8.296 2.017 -4.820 1.00 0.00 C ATOM 597 CG1 VAL A 40 8.224 2.279 -3.323 1.00 0.00 C ATOM 598 CG2 VAL A 40 6.976 1.466 -5.337 1.00 0.00 C ATOM 0 H VAL A 40 9.796 2.230 -6.987 1.00 0.00 H new ATOM 0 HA VAL A 40 7.791 3.933 -5.677 1.00 0.00 H new ATOM 0 HB VAL A 40 9.070 1.270 -4.997 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.954 1.359 -2.805 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.195 2.625 -2.967 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.471 3.042 -3.123 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.723 0.557 -4.792 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.190 2.207 -5.192 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.068 1.238 -6.399 1.00 0.00 H new ATOM 608 N GLY A 41 9.653 5.380 -4.791 1.00 0.00 N ATOM 609 CA GLY A 41 10.614 6.191 -4.067 1.00 0.00 C ATOM 610 C GLY A 41 11.041 5.554 -2.759 1.00 0.00 C ATOM 611 O GLY A 41 12.131 4.990 -2.663 1.00 0.00 O ATOM 0 H GLY A 41 8.935 5.907 -5.288 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.492 6.353 -4.692 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.180 7.171 -3.866 1.00 0.00 H new ATOM 615 N ASP A 42 10.183 5.646 -1.750 1.00 0.00 N ATOM 616 CA ASP A 42 10.477 5.074 -0.441 1.00 0.00 C ATOM 617 C ASP A 42 9.274 4.309 0.101 1.00 0.00 C ATOM 618 O ASP A 42 8.131 4.592 -0.259 1.00 0.00 O ATOM 619 CB ASP A 42 10.882 6.175 0.540 1.00 0.00 C ATOM 620 CG ASP A 42 11.933 7.105 -0.033 1.00 0.00 C ATOM 621 OD1 ASP A 42 12.811 6.620 -0.779 1.00 0.00 O ATOM 622 OD2 ASP A 42 11.878 8.317 0.262 1.00 0.00 O ATOM 0 H ASP A 42 9.278 6.111 -1.813 1.00 0.00 H new ATOM 0 HA ASP A 42 11.306 4.376 -0.555 1.00 0.00 H new ATOM 0 HB2 ASP A 42 10.001 6.754 0.816 1.00 0.00 H new ATOM 0 HB3 ASP A 42 11.263 5.720 1.454 1.00 0.00 H new ATOM 627 N VAL A 43 9.539 3.338 0.969 1.00 0.00 N ATOM 628 CA VAL A 43 8.478 2.532 1.561 1.00 0.00 C ATOM 629 C VAL A 43 8.602 2.490 3.080 1.00 0.00 C ATOM 630 O VAL A 43 9.486 1.826 3.623 1.00 0.00 O ATOM 631 CB VAL A 43 8.497 1.091 1.016 1.00 0.00 C ATOM 632 CG1 VAL A 43 7.165 0.405 1.274 1.00 0.00 C ATOM 633 CG2 VAL A 43 8.830 1.088 -0.468 1.00 0.00 C ATOM 0 H VAL A 43 10.479 3.090 1.278 1.00 0.00 H new ATOM 0 HA VAL A 43 7.534 3.003 1.289 1.00 0.00 H new ATOM 0 HB VAL A 43 9.273 0.533 1.540 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.197 -0.612 0.882 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.973 0.375 2.347 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.368 0.960 0.778 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.839 0.062 -0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.079 1.662 -1.011 1.00 0.00 H new ATOM 0 HG23 VAL A 43 9.811 1.538 -0.622 1.00 0.00 H new ATOM 643 N TYR A 44 7.712 3.203 3.760 1.00 0.00 N ATOM 644 CA TYR A 44 7.722 3.250 5.218 1.00 0.00 C ATOM 645 C TYR A 44 6.448 2.638 5.792 1.00 0.00 C ATOM 646 O TYR A 44 5.372 2.752 5.204 1.00 0.00 O ATOM 647 CB TYR A 44 7.871 4.693 5.702 1.00 0.00 C ATOM 648 CG TYR A 44 7.925 4.824 7.207 1.00 0.00 C ATOM 649 CD1 TYR A 44 8.918 4.190 7.944 1.00 0.00 C ATOM 650 CD2 TYR A 44 6.983 5.581 7.892 1.00 0.00 C ATOM 651 CE1 TYR A 44 8.970 4.307 9.320 1.00 0.00 C ATOM 652 CE2 TYR A 44 7.029 5.705 9.267 1.00 0.00 C ATOM 653 CZ TYR A 44 8.024 5.066 9.977 1.00 0.00 C ATOM 654 OH TYR A 44 8.072 5.185 11.347 1.00 0.00 O ATOM 0 H TYR A 44 6.974 3.757 3.325 1.00 0.00 H new ATOM 0 HA TYR A 44 8.573 2.667 5.569 1.00 0.00 H new ATOM 0 HB2 TYR A 44 8.780 5.118 5.276 1.00 0.00 H new ATOM 0 HB3 TYR A 44 7.035 5.282 5.324 1.00 0.00 H new ATOM 0 HD1 TYR A 44 9.661 3.596 7.433 1.00 0.00 H new ATOM 0 HD2 TYR A 44 6.201 6.081 7.340 1.00 0.00 H new ATOM 0 HE1 TYR A 44 9.747 3.807 9.878 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.290 6.299 9.783 1.00 0.00 H new ATOM 0 HH TYR A 44 7.335 5.754 11.652 1.00 0.00 H new ATOM 664 N ILE A 45 6.578 1.989 6.944 1.00 0.00 N ATOM 665 CA ILE A 45 5.437 1.361 7.599 1.00 0.00 C ATOM 666 C ILE A 45 5.375 1.739 9.075 1.00 0.00 C ATOM 667 O ILE A 45 5.870 1.024 9.946 1.00 0.00 O ATOM 668 CB ILE A 45 5.492 -0.173 7.475 1.00 0.00 C ATOM 669 CG1 ILE A 45 5.574 -0.585 6.004 1.00 0.00 C ATOM 670 CG2 ILE A 45 4.276 -0.801 8.139 1.00 0.00 C ATOM 671 CD1 ILE A 45 5.923 -2.043 5.804 1.00 0.00 C ATOM 0 H ILE A 45 7.461 1.884 7.443 1.00 0.00 H new ATOM 0 HA ILE A 45 4.542 1.726 7.095 1.00 0.00 H new ATOM 0 HB ILE A 45 6.386 -0.532 7.984 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.617 -0.379 5.524 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.321 0.031 5.504 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.329 -1.886 8.043 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.258 -0.530 9.195 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.369 -0.438 7.655 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.964 -2.264 4.737 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.894 -2.250 6.255 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.164 -2.667 6.275 1.00 0.00 H new ATOM 683 N PRO A 46 4.749 2.889 9.366 1.00 0.00 N ATOM 684 CA PRO A 46 4.604 3.387 10.737 1.00 0.00 C ATOM 685 C PRO A 46 4.119 2.307 11.697 1.00 0.00 C ATOM 686 O PRO A 46 3.472 1.343 11.287 1.00 0.00 O ATOM 687 CB PRO A 46 3.555 4.494 10.603 1.00 0.00 C ATOM 688 CG PRO A 46 3.695 4.982 9.202 1.00 0.00 C ATOM 689 CD PRO A 46 4.135 3.792 8.378 1.00 0.00 C ATOM 0 HA PRO A 46 5.553 3.728 11.150 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.551 4.113 10.791 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.731 5.295 11.321 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.750 5.382 8.834 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.427 5.788 9.143 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.291 3.320 7.875 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.846 4.082 7.605 1.00 0.00 H new ATOM 851 N GLY A 56 -1.381 -0.382 11.052 1.00 0.00 N ATOM 852 CA GLY A 56 -2.264 -0.930 10.040 1.00 0.00 C ATOM 853 C GLY A 56 -2.289 -0.092 8.777 1.00 0.00 C ATOM 854 O GLY A 56 -3.282 -0.082 8.049 1.00 0.00 O ATOM 0 HA2 GLY A 56 -1.945 -1.943 9.794 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.274 -1.003 10.444 1.00 0.00 H new ATOM 858 N PHE A 57 -1.194 0.615 8.516 1.00 0.00 N ATOM 859 CA PHE A 57 -1.095 1.463 7.334 1.00 0.00 C ATOM 860 C PHE A 57 0.364 1.695 6.951 1.00 0.00 C ATOM 861 O PHE A 57 1.269 1.483 7.757 1.00 0.00 O ATOM 862 CB PHE A 57 -1.788 2.804 7.583 1.00 0.00 C ATOM 863 CG PHE A 57 -0.989 3.741 8.442 1.00 0.00 C ATOM 864 CD1 PHE A 57 -0.488 3.324 9.665 1.00 0.00 C ATOM 865 CD2 PHE A 57 -0.738 5.039 8.028 1.00 0.00 C ATOM 866 CE1 PHE A 57 0.247 4.185 10.458 1.00 0.00 C ATOM 867 CE2 PHE A 57 -0.004 5.904 8.817 1.00 0.00 C ATOM 868 CZ PHE A 57 0.490 5.476 10.033 1.00 0.00 C ATOM 0 H PHE A 57 -0.363 0.617 9.107 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.592 0.953 6.509 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.988 3.284 6.625 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.753 2.623 8.057 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.674 2.315 10.002 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.121 5.379 7.077 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.631 3.848 11.410 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.183 6.914 8.483 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.065 6.150 10.651 1.00 0.00 H new ATOM 878 N ALA A 58 0.583 2.131 5.715 1.00 0.00 N ATOM 879 CA ALA A 58 1.930 2.393 5.225 1.00 0.00 C ATOM 880 C ALA A 58 1.930 3.513 4.190 1.00 0.00 C ATOM 881 O ALA A 58 0.891 3.841 3.616 1.00 0.00 O ATOM 882 CB ALA A 58 2.533 1.127 4.635 1.00 0.00 C ATOM 0 H ALA A 58 -0.156 2.310 5.035 1.00 0.00 H new ATOM 0 HA ALA A 58 2.540 2.714 6.069 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.539 1.338 4.273 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.578 0.354 5.402 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.914 0.781 3.807 1.00 0.00 H new ATOM 888 N PHE A 59 3.100 4.098 3.957 1.00 0.00 N ATOM 889 CA PHE A 59 3.234 5.183 2.992 1.00 0.00 C ATOM 890 C PHE A 59 4.210 4.805 1.881 1.00 0.00 C ATOM 891 O PHE A 59 5.320 4.344 2.145 1.00 0.00 O ATOM 892 CB PHE A 59 3.709 6.459 3.690 1.00 0.00 C ATOM 893 CG PHE A 59 2.653 7.104 4.541 1.00 0.00 C ATOM 894 CD1 PHE A 59 1.551 7.710 3.960 1.00 0.00 C ATOM 895 CD2 PHE A 59 2.762 7.105 5.923 1.00 0.00 C ATOM 896 CE1 PHE A 59 0.578 8.306 4.741 1.00 0.00 C ATOM 897 CE2 PHE A 59 1.792 7.698 6.709 1.00 0.00 C ATOM 898 CZ PHE A 59 0.698 8.299 6.117 1.00 0.00 C ATOM 0 H PHE A 59 3.969 3.839 4.423 1.00 0.00 H new ATOM 0 HA PHE A 59 2.255 5.363 2.547 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.572 6.224 4.312 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.044 7.173 2.937 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.451 7.717 2.885 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.615 6.637 6.391 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.275 8.777 4.275 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.889 7.692 7.785 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.062 8.762 6.729 1.00 0.00 H new ATOM 908 N VAL A 60 3.786 5.003 0.637 1.00 0.00 N ATOM 909 CA VAL A 60 4.621 4.684 -0.515 1.00 0.00 C ATOM 910 C VAL A 60 4.762 5.887 -1.441 1.00 0.00 C ATOM 911 O VAL A 60 3.811 6.278 -2.117 1.00 0.00 O ATOM 912 CB VAL A 60 4.046 3.500 -1.314 1.00 0.00 C ATOM 913 CG1 VAL A 60 4.991 3.105 -2.439 1.00 0.00 C ATOM 914 CG2 VAL A 60 3.775 2.319 -0.395 1.00 0.00 C ATOM 0 H VAL A 60 2.869 5.383 0.401 1.00 0.00 H new ATOM 0 HA VAL A 60 5.602 4.409 -0.128 1.00 0.00 H new ATOM 0 HB VAL A 60 3.100 3.810 -1.759 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.568 2.267 -2.992 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.129 3.951 -3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.954 2.814 -2.020 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.369 1.491 -0.976 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.705 2.007 0.080 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.057 2.611 0.371 1.00 0.00 H new ATOM 924 N ARG A 61 5.956 6.470 -1.467 1.00 0.00 N ATOM 925 CA ARG A 61 6.223 7.630 -2.309 1.00 0.00 C ATOM 926 C ARG A 61 6.454 7.208 -3.757 1.00 0.00 C ATOM 927 O ARG A 61 6.626 6.024 -4.050 1.00 0.00 O ATOM 928 CB ARG A 61 7.440 8.396 -1.789 1.00 0.00 C ATOM 929 CG ARG A 61 7.098 9.443 -0.741 1.00 0.00 C ATOM 930 CD ARG A 61 6.941 8.821 0.637 1.00 0.00 C ATOM 931 NE ARG A 61 7.181 9.788 1.705 1.00 0.00 N ATOM 932 CZ ARG A 61 8.393 10.136 2.123 1.00 0.00 C ATOM 933 NH1 ARG A 61 9.470 9.598 1.566 1.00 0.00 N ATOM 934 NH2 ARG A 61 8.530 11.023 3.100 1.00 0.00 N ATOM 0 H ARG A 61 6.754 6.158 -0.914 1.00 0.00 H new ATOM 0 HA ARG A 61 5.350 8.282 -2.273 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.151 7.687 -1.364 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.938 8.883 -2.628 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.881 10.200 -0.712 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.174 9.950 -1.020 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.936 8.412 0.738 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.636 7.988 0.740 1.00 0.00 H new ATOM 0 HE ARG A 61 6.374 10.220 2.155 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.369 8.915 0.815 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.399 9.867 1.889 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.704 11.439 3.531 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.461 11.289 3.420 1.00 0.00 H new ATOM 948 N PHE A 62 6.457 8.184 -4.659 1.00 0.00 N ATOM 949 CA PHE A 62 6.667 7.914 -6.077 1.00 0.00 C ATOM 950 C PHE A 62 7.455 9.042 -6.735 1.00 0.00 C ATOM 951 O PHE A 62 7.764 10.051 -6.100 1.00 0.00 O ATOM 952 CB PHE A 62 5.323 7.734 -6.787 1.00 0.00 C ATOM 953 CG PHE A 62 4.625 6.452 -6.434 1.00 0.00 C ATOM 954 CD1 PHE A 62 4.068 6.274 -5.178 1.00 0.00 C ATOM 955 CD2 PHE A 62 4.526 5.424 -7.358 1.00 0.00 C ATOM 956 CE1 PHE A 62 3.426 5.095 -4.850 1.00 0.00 C ATOM 957 CE2 PHE A 62 3.885 4.243 -7.037 1.00 0.00 C ATOM 958 CZ PHE A 62 3.333 4.078 -5.781 1.00 0.00 C ATOM 0 H PHE A 62 6.316 9.169 -4.433 1.00 0.00 H new ATOM 0 HA PHE A 62 7.244 6.993 -6.165 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.674 8.573 -6.536 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.483 7.766 -7.865 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.136 7.066 -4.447 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.955 5.548 -8.341 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.997 4.969 -3.867 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.815 3.450 -7.767 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.830 3.156 -5.528 1.00 0.00 H new ATOM 968 N HIS A 63 7.780 8.863 -8.011 1.00 0.00 N ATOM 969 CA HIS A 63 8.533 9.865 -8.757 1.00 0.00 C ATOM 970 C HIS A 63 7.653 10.536 -9.807 1.00 0.00 C ATOM 971 O HIS A 63 7.733 11.747 -10.016 1.00 0.00 O ATOM 972 CB HIS A 63 9.750 9.226 -9.426 1.00 0.00 C ATOM 973 CG HIS A 63 10.796 8.768 -8.457 1.00 0.00 C ATOM 974 ND1 HIS A 63 11.729 9.617 -7.901 1.00 0.00 N ATOM 975 CD2 HIS A 63 11.051 7.542 -7.944 1.00 0.00 C ATOM 976 CE1 HIS A 63 12.515 8.933 -7.089 1.00 0.00 C ATOM 977 NE2 HIS A 63 12.124 7.671 -7.097 1.00 0.00 N ATOM 0 H HIS A 63 7.534 8.033 -8.550 1.00 0.00 H new ATOM 0 HA HIS A 63 8.873 10.626 -8.054 1.00 0.00 H new ATOM 0 HB2 HIS A 63 9.421 8.375 -10.022 1.00 0.00 H new ATOM 0 HB3 HIS A 63 10.194 9.944 -10.115 1.00 0.00 H new ATOM 0 HD2 HIS A 63 10.511 6.632 -8.160 1.00 0.00 H new ATOM 0 HE1 HIS A 63 13.337 9.337 -6.516 1.00 0.00 H new ATOM 0 HE2 HIS A 63 12.550 6.915 -6.561 1.00 0.00 H new ATOM 985 N ASP A 64 6.816 9.742 -10.465 1.00 0.00 N ATOM 986 CA ASP A 64 5.921 10.259 -11.494 1.00 0.00 C ATOM 987 C ASP A 64 4.477 10.270 -11.002 1.00 0.00 C ATOM 988 O ASP A 64 4.062 9.394 -10.243 1.00 0.00 O ATOM 989 CB ASP A 64 6.032 9.418 -12.767 1.00 0.00 C ATOM 990 CG ASP A 64 7.276 9.745 -13.569 1.00 0.00 C ATOM 991 OD1 ASP A 64 8.354 9.211 -13.235 1.00 0.00 O ATOM 992 OD2 ASP A 64 7.172 10.536 -14.531 1.00 0.00 O ATOM 0 H ASP A 64 6.738 8.738 -10.304 1.00 0.00 H new ATOM 0 HA ASP A 64 6.218 11.284 -11.718 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.042 8.361 -12.501 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.150 9.583 -13.386 1.00 0.00 H new ATOM 997 N ARG A 65 3.716 11.269 -11.438 1.00 0.00 N ATOM 998 CA ARG A 65 2.319 11.396 -11.040 1.00 0.00 C ATOM 999 C ARG A 65 1.466 10.318 -11.703 1.00 0.00 C ATOM 1000 O ARG A 65 0.822 9.518 -11.024 1.00 0.00 O ATOM 1001 CB ARG A 65 1.786 12.782 -11.408 1.00 0.00 C ATOM 1002 CG ARG A 65 0.471 13.128 -10.729 1.00 0.00 C ATOM 1003 CD ARG A 65 0.217 14.628 -10.738 1.00 0.00 C ATOM 1004 NE ARG A 65 1.197 15.354 -9.935 1.00 0.00 N ATOM 1005 CZ ARG A 65 1.005 16.586 -9.477 1.00 0.00 C ATOM 1006 NH1 ARG A 65 -0.126 17.225 -9.742 1.00 0.00 N ATOM 1007 NH2 ARG A 65 1.944 17.180 -8.753 1.00 0.00 N ATOM 0 H ARG A 65 4.044 12.002 -12.067 1.00 0.00 H new ATOM 0 HA ARG A 65 2.261 11.268 -9.959 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.531 13.531 -11.141 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.653 12.836 -12.488 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.347 12.616 -11.236 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.485 12.766 -9.701 1.00 0.00 H new ATOM 0 HD2 ARG A 65 0.246 14.994 -11.764 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.784 14.828 -10.356 1.00 0.00 H new ATOM 0 HE ARG A 65 2.078 14.889 -9.714 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.850 16.771 -10.298 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.272 18.171 -9.390 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.815 16.691 -8.547 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.795 18.126 -8.402 1.00 0.00 H new ATOM 1021 N ARG A 66 1.465 10.305 -13.032 1.00 0.00 N ATOM 1022 CA ARG A 66 0.689 9.328 -13.785 1.00 0.00 C ATOM 1023 C ARG A 66 0.902 7.922 -13.233 1.00 0.00 C ATOM 1024 O ARG A 66 -0.013 7.321 -12.669 1.00 0.00 O ATOM 1025 CB ARG A 66 1.075 9.370 -15.265 1.00 0.00 C ATOM 1026 CG ARG A 66 0.483 10.551 -16.016 1.00 0.00 C ATOM 1027 CD ARG A 66 1.319 11.807 -15.826 1.00 0.00 C ATOM 1028 NE ARG A 66 0.999 12.833 -16.816 1.00 0.00 N ATOM 1029 CZ ARG A 66 -0.125 13.540 -16.804 1.00 0.00 C ATOM 1030 NH1 ARG A 66 -1.031 13.335 -15.858 1.00 0.00 N ATOM 1031 NH2 ARG A 66 -0.344 14.456 -17.739 1.00 0.00 N ATOM 0 H ARG A 66 1.993 10.960 -13.609 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.366 9.583 -13.684 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.161 9.406 -15.347 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.749 8.446 -15.743 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.418 10.313 -17.078 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.534 10.733 -15.667 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.153 12.205 -14.825 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.377 11.553 -15.896 1.00 0.00 H new ATOM 0 HE ARG A 66 1.676 13.016 -17.557 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.866 12.633 -15.137 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.893 13.880 -15.851 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.351 14.617 -18.468 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.208 14.999 -17.729 1.00 0.00 H new ATOM 1045 N ASP A 67 2.114 7.404 -13.399 1.00 0.00 N ATOM 1046 CA ASP A 67 2.447 6.069 -12.916 1.00 0.00 C ATOM 1047 C ASP A 67 1.775 5.792 -11.576 1.00 0.00 C ATOM 1048 O ASP A 67 1.049 4.809 -11.425 1.00 0.00 O ATOM 1049 CB ASP A 67 3.963 5.916 -12.782 1.00 0.00 C ATOM 1050 CG ASP A 67 4.661 5.862 -14.127 1.00 0.00 C ATOM 1051 OD1 ASP A 67 4.124 5.211 -15.048 1.00 0.00 O ATOM 1052 OD2 ASP A 67 5.745 6.469 -14.258 1.00 0.00 O ATOM 0 H ASP A 67 2.882 7.888 -13.864 1.00 0.00 H new ATOM 0 HA ASP A 67 2.079 5.344 -13.642 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.360 6.750 -12.203 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.185 5.007 -12.224 1.00 0.00 H new ATOM 1057 N ALA A 68 2.022 6.664 -10.604 1.00 0.00 N ATOM 1058 CA ALA A 68 1.440 6.514 -9.276 1.00 0.00 C ATOM 1059 C ALA A 68 -0.071 6.322 -9.357 1.00 0.00 C ATOM 1060 O ALA A 68 -0.626 5.422 -8.728 1.00 0.00 O ATOM 1061 CB ALA A 68 1.775 7.721 -8.413 1.00 0.00 C ATOM 0 H ALA A 68 2.622 7.482 -10.712 1.00 0.00 H new ATOM 0 HA ALA A 68 1.869 5.623 -8.817 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.334 7.595 -7.424 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.857 7.812 -8.319 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.374 8.622 -8.877 1.00 0.00 H new ATOM 1067 N GLN A 69 -0.730 7.174 -10.136 1.00 0.00 N ATOM 1068 CA GLN A 69 -2.177 7.098 -10.298 1.00 0.00 C ATOM 1069 C GLN A 69 -2.597 5.719 -10.795 1.00 0.00 C ATOM 1070 O GLN A 69 -3.392 5.032 -10.153 1.00 0.00 O ATOM 1071 CB GLN A 69 -2.660 8.174 -11.272 1.00 0.00 C ATOM 1072 CG GLN A 69 -2.995 9.496 -10.601 1.00 0.00 C ATOM 1073 CD GLN A 69 -4.431 9.558 -10.118 1.00 0.00 C ATOM 1074 OE1 GLN A 69 -5.366 9.325 -10.885 1.00 0.00 O ATOM 1075 NE2 GLN A 69 -4.614 9.873 -8.841 1.00 0.00 N ATOM 0 H GLN A 69 -0.285 7.924 -10.664 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.636 7.268 -9.324 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.890 8.343 -12.025 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.543 7.808 -11.796 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.324 9.650 -9.756 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.816 10.311 -11.303 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.810 10.058 -8.241 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.558 9.930 -8.460 1.00 0.00 H new ATOM 1084 N ASP A 70 -2.060 5.321 -11.943 1.00 0.00 N ATOM 1085 CA ASP A 70 -2.379 4.023 -12.527 1.00 0.00 C ATOM 1086 C ASP A 70 -2.383 2.933 -11.459 1.00 0.00 C ATOM 1087 O ASP A 70 -3.278 2.089 -11.423 1.00 0.00 O ATOM 1088 CB ASP A 70 -1.375 3.674 -13.626 1.00 0.00 C ATOM 1089 CG ASP A 70 -1.775 4.236 -14.976 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -1.793 5.476 -15.120 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -2.072 3.436 -15.888 1.00 0.00 O ATOM 0 H ASP A 70 -1.402 5.878 -12.488 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.376 4.083 -12.963 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.393 4.059 -13.352 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.283 2.590 -13.700 1.00 0.00 H new ATOM 1096 N ALA A 71 -1.376 2.957 -10.592 1.00 0.00 N ATOM 1097 CA ALA A 71 -1.264 1.972 -9.524 1.00 0.00 C ATOM 1098 C ALA A 71 -2.408 2.114 -8.525 1.00 0.00 C ATOM 1099 O ALA A 71 -3.023 1.124 -8.130 1.00 0.00 O ATOM 1100 CB ALA A 71 0.076 2.110 -8.817 1.00 0.00 C ATOM 0 H ALA A 71 -0.626 3.648 -10.609 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.326 0.980 -9.970 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.146 1.368 -8.022 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.883 1.952 -9.533 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.161 3.109 -8.390 1.00 0.00 H new ATOM 1106 N GLU A 72 -2.686 3.349 -8.121 1.00 0.00 N ATOM 1107 CA GLU A 72 -3.755 3.618 -7.167 1.00 0.00 C ATOM 1108 C GLU A 72 -5.058 2.959 -7.610 1.00 0.00 C ATOM 1109 O GLU A 72 -5.530 2.009 -6.986 1.00 0.00 O ATOM 1110 CB GLU A 72 -3.961 5.126 -7.009 1.00 0.00 C ATOM 1111 CG GLU A 72 -4.683 5.510 -5.729 1.00 0.00 C ATOM 1112 CD GLU A 72 -5.423 6.829 -5.850 1.00 0.00 C ATOM 1113 OE1 GLU A 72 -4.772 7.846 -6.168 1.00 0.00 O ATOM 1114 OE2 GLU A 72 -6.651 6.843 -5.627 1.00 0.00 O ATOM 0 H GLU A 72 -2.186 4.179 -8.439 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.463 3.196 -6.205 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.990 5.621 -7.031 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.528 5.498 -7.862 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.390 4.724 -5.465 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.961 5.576 -4.915 1.00 0.00 H new ATOM 1121 N ALA A 73 -5.635 3.473 -8.692 1.00 0.00 N ATOM 1122 CA ALA A 73 -6.882 2.934 -9.221 1.00 0.00 C ATOM 1123 C ALA A 73 -6.872 1.410 -9.207 1.00 0.00 C ATOM 1124 O ALA A 73 -7.651 0.780 -8.492 1.00 0.00 O ATOM 1125 CB ALA A 73 -7.124 3.450 -10.631 1.00 0.00 C ATOM 0 H ALA A 73 -5.259 4.261 -9.219 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.696 3.271 -8.578 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.058 3.039 -11.013 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.186 4.538 -10.615 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.302 3.143 -11.277 1.00 0.00 H new ATOM 1131 N ALA A 74 -5.985 0.822 -10.003 1.00 0.00 N ATOM 1132 CA ALA A 74 -5.872 -0.629 -10.082 1.00 0.00 C ATOM 1133 C ALA A 74 -6.162 -1.276 -8.732 1.00 0.00 C ATOM 1134 O ALA A 74 -7.216 -1.882 -8.537 1.00 0.00 O ATOM 1135 CB ALA A 74 -4.488 -1.026 -10.573 1.00 0.00 C ATOM 0 H ALA A 74 -5.334 1.329 -10.603 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.614 -0.988 -10.795 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.419 -2.112 -10.627 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.318 -0.602 -11.563 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.735 -0.648 -9.882 1.00 0.00 H new ATOM 1141 N MET A 75 -5.220 -1.145 -7.803 1.00 0.00 N ATOM 1142 CA MET A 75 -5.376 -1.717 -6.471 1.00 0.00 C ATOM 1143 C MET A 75 -6.694 -1.276 -5.841 1.00 0.00 C ATOM 1144 O MET A 75 -7.590 -2.091 -5.620 1.00 0.00 O ATOM 1145 CB MET A 75 -4.206 -1.304 -5.576 1.00 0.00 C ATOM 1146 CG MET A 75 -3.030 -2.266 -5.631 1.00 0.00 C ATOM 1147 SD MET A 75 -3.355 -3.811 -4.760 1.00 0.00 S ATOM 1148 CE MET A 75 -2.065 -4.856 -5.431 1.00 0.00 C ATOM 0 H MET A 75 -4.341 -0.648 -7.948 1.00 0.00 H new ATOM 0 HA MET A 75 -5.385 -2.803 -6.567 1.00 0.00 H new ATOM 0 HB2 MET A 75 -3.867 -0.311 -5.871 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.556 -1.229 -4.546 1.00 0.00 H new ATOM 0 HG2 MET A 75 -2.792 -2.484 -6.672 1.00 0.00 H new ATOM 0 HG3 MET A 75 -2.153 -1.786 -5.197 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.511 -5.748 -5.870 1.00 0.00 H new ATOM 0 HE2 MET A 75 -1.516 -4.310 -6.198 1.00 0.00 H new ATOM 0 HE3 MET A 75 -1.381 -5.147 -4.634 1.00 0.00 H new ATOM 1158 N ASP A 76 -6.804 0.016 -5.553 1.00 0.00 N ATOM 1159 CA ASP A 76 -8.012 0.565 -4.949 1.00 0.00 C ATOM 1160 C ASP A 76 -9.254 -0.150 -5.473 1.00 0.00 C ATOM 1161 O ASP A 76 -9.663 0.053 -6.616 1.00 0.00 O ATOM 1162 CB ASP A 76 -8.114 2.064 -5.232 1.00 0.00 C ATOM 1163 CG ASP A 76 -9.550 2.544 -5.303 1.00 0.00 C ATOM 1164 OD1 ASP A 76 -10.233 2.530 -4.258 1.00 0.00 O ATOM 1165 OD2 ASP A 76 -9.992 2.933 -6.405 1.00 0.00 O ATOM 0 H ASP A 76 -6.071 0.703 -5.728 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.952 0.410 -3.872 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.588 2.615 -4.452 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.612 2.288 -6.173 1.00 0.00 H new ATOM 1170 N GLY A 77 -9.849 -0.988 -4.630 1.00 0.00 N ATOM 1171 CA GLY A 77 -11.038 -1.720 -5.026 1.00 0.00 C ATOM 1172 C GLY A 77 -10.713 -3.088 -5.592 1.00 0.00 C ATOM 1173 O GLY A 77 -11.431 -3.597 -6.453 1.00 0.00 O ATOM 0 H GLY A 77 -9.529 -1.173 -3.679 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.695 -1.833 -4.164 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.586 -1.142 -5.771 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.628 -3.685 -5.110 1.00 0.00 N ATOM 1178 CA ALA A 78 -9.210 -5.002 -5.573 1.00 0.00 C ATOM 1179 C ALA A 78 -9.544 -6.077 -4.545 1.00 0.00 C ATOM 1180 O ALA A 78 -9.952 -5.771 -3.425 1.00 0.00 O ATOM 1181 CB ALA A 78 -7.720 -5.006 -5.879 1.00 0.00 C ATOM 0 H ALA A 78 -9.022 -3.277 -4.398 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.758 -5.229 -6.488 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.422 -5.996 -6.224 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.506 -4.272 -6.656 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.163 -4.753 -4.977 1.00 0.00 H new ATOM 1187 N GLU A 79 -9.368 -7.336 -4.933 1.00 0.00 N ATOM 1188 CA GLU A 79 -9.653 -8.456 -4.043 1.00 0.00 C ATOM 1189 C GLU A 79 -8.361 -9.082 -3.526 1.00 0.00 C ATOM 1190 O GLU A 79 -7.702 -9.848 -4.231 1.00 0.00 O ATOM 1191 CB GLU A 79 -10.489 -9.512 -4.769 1.00 0.00 C ATOM 1192 CG GLU A 79 -10.893 -10.680 -3.885 1.00 0.00 C ATOM 1193 CD GLU A 79 -11.882 -11.610 -4.563 1.00 0.00 C ATOM 1194 OE1 GLU A 79 -12.822 -11.104 -5.210 1.00 0.00 O ATOM 1195 OE2 GLU A 79 -11.715 -12.841 -4.446 1.00 0.00 O ATOM 0 H GLU A 79 -9.030 -7.606 -5.857 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.219 -8.077 -3.192 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.387 -9.041 -5.168 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -9.923 -9.890 -5.620 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.003 -11.244 -3.605 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.332 -10.298 -2.963 1.00 0.00 H new ATOM 1202 N LEU A 80 -8.003 -8.749 -2.290 1.00 0.00 N ATOM 1203 CA LEU A 80 -6.790 -9.277 -1.677 1.00 0.00 C ATOM 1204 C LEU A 80 -6.943 -9.374 -0.162 1.00 0.00 C ATOM 1205 O LEU A 80 -7.495 -8.476 0.475 1.00 0.00 O ATOM 1206 CB LEU A 80 -5.592 -8.391 -2.024 1.00 0.00 C ATOM 1207 CG LEU A 80 -5.018 -8.560 -3.431 1.00 0.00 C ATOM 1208 CD1 LEU A 80 -4.163 -7.359 -3.806 1.00 0.00 C ATOM 1209 CD2 LEU A 80 -4.208 -9.844 -3.526 1.00 0.00 C ATOM 0 H LEU A 80 -8.536 -8.116 -1.693 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.620 -10.279 -2.072 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.887 -7.349 -1.896 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.798 -8.589 -1.303 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.847 -8.624 -4.136 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.763 -7.497 -4.810 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.773 -6.456 -3.779 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.340 -7.263 -3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.807 -9.948 -4.534 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.386 -9.810 -2.811 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.849 -10.696 -3.301 1.00 0.00 H new ATOM 1221 N ASP A 81 -6.449 -10.467 0.409 1.00 0.00 N ATOM 1222 CA ASP A 81 -6.528 -10.680 1.849 1.00 0.00 C ATOM 1223 C ASP A 81 -7.979 -10.820 2.299 1.00 0.00 C ATOM 1224 O ASP A 81 -8.333 -10.442 3.414 1.00 0.00 O ATOM 1225 CB ASP A 81 -5.860 -9.523 2.594 1.00 0.00 C ATOM 1226 CG ASP A 81 -5.769 -9.772 4.087 1.00 0.00 C ATOM 1227 OD1 ASP A 81 -5.902 -10.942 4.503 1.00 0.00 O ATOM 1228 OD2 ASP A 81 -5.564 -8.797 4.839 1.00 0.00 O ATOM 0 H ASP A 81 -5.989 -11.219 -0.104 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.003 -11.606 2.084 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.859 -9.366 2.193 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.422 -8.606 2.415 1.00 0.00 H new ATOM 1233 N GLY A 82 -8.815 -11.368 1.422 1.00 0.00 N ATOM 1234 CA GLY A 82 -10.218 -11.548 1.746 1.00 0.00 C ATOM 1235 C GLY A 82 -10.924 -10.233 2.017 1.00 0.00 C ATOM 1236 O GLY A 82 -11.993 -10.210 2.626 1.00 0.00 O ATOM 0 H GLY A 82 -8.545 -11.691 0.493 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.715 -12.061 0.922 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.306 -12.191 2.622 1.00 0.00 H new ATOM 1240 N ARG A 83 -10.323 -9.137 1.565 1.00 0.00 N ATOM 1241 CA ARG A 83 -10.900 -7.813 1.764 1.00 0.00 C ATOM 1242 C ARG A 83 -10.440 -6.850 0.674 1.00 0.00 C ATOM 1243 O ARG A 83 -9.684 -7.226 -0.221 1.00 0.00 O ATOM 1244 CB ARG A 83 -10.511 -7.266 3.139 1.00 0.00 C ATOM 1245 CG ARG A 83 -11.423 -7.736 4.261 1.00 0.00 C ATOM 1246 CD ARG A 83 -11.472 -6.728 5.398 1.00 0.00 C ATOM 1247 NE ARG A 83 -12.362 -7.158 6.473 1.00 0.00 N ATOM 1248 CZ ARG A 83 -12.570 -6.454 7.581 1.00 0.00 C ATOM 1249 NH1 ARG A 83 -11.955 -5.293 7.758 1.00 0.00 N ATOM 1250 NH2 ARG A 83 -13.396 -6.912 8.514 1.00 0.00 N ATOM 0 H ARG A 83 -9.437 -9.140 1.059 1.00 0.00 H new ATOM 0 HA ARG A 83 -11.985 -7.905 1.710 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.488 -7.566 3.364 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.523 -6.177 3.104 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.428 -7.896 3.871 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.071 -8.696 4.639 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -10.468 -6.581 5.796 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.807 -5.764 5.014 1.00 0.00 H new ATOM 0 HE ARG A 83 -12.851 -8.047 6.368 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -11.320 -4.938 7.043 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.117 -4.755 8.609 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -13.871 -7.805 8.381 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -13.555 -6.371 9.364 1.00 0.00 H new ATOM 1264 N GLU A 84 -10.903 -5.607 0.755 1.00 0.00 N ATOM 1265 CA GLU A 84 -10.541 -4.591 -0.226 1.00 0.00 C ATOM 1266 C GLU A 84 -9.443 -3.679 0.316 1.00 0.00 C ATOM 1267 O GLU A 84 -9.688 -2.846 1.190 1.00 0.00 O ATOM 1268 CB GLU A 84 -11.767 -3.760 -0.610 1.00 0.00 C ATOM 1269 CG GLU A 84 -12.547 -4.332 -1.781 1.00 0.00 C ATOM 1270 CD GLU A 84 -13.324 -5.580 -1.410 1.00 0.00 C ATOM 1271 OE1 GLU A 84 -14.105 -5.525 -0.437 1.00 0.00 O ATOM 1272 OE2 GLU A 84 -13.152 -6.611 -2.093 1.00 0.00 O ATOM 0 H GLU A 84 -11.530 -5.279 1.490 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.163 -5.098 -1.114 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.428 -3.683 0.253 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.447 -2.748 -0.857 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.237 -3.577 -2.156 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.858 -4.565 -2.593 1.00 0.00 H new ATOM 1279 N LEU A 85 -8.234 -3.842 -0.209 1.00 0.00 N ATOM 1280 CA LEU A 85 -7.098 -3.035 0.221 1.00 0.00 C ATOM 1281 C LEU A 85 -7.297 -1.570 -0.156 1.00 0.00 C ATOM 1282 O LEU A 85 -7.439 -1.236 -1.332 1.00 0.00 O ATOM 1283 CB LEU A 85 -5.806 -3.563 -0.404 1.00 0.00 C ATOM 1284 CG LEU A 85 -5.360 -4.954 0.050 1.00 0.00 C ATOM 1285 CD1 LEU A 85 -4.184 -5.437 -0.785 1.00 0.00 C ATOM 1286 CD2 LEU A 85 -4.997 -4.942 1.528 1.00 0.00 C ATOM 0 H LEU A 85 -8.015 -4.526 -0.933 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.024 -3.105 1.306 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.930 -3.579 -1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -5.005 -2.857 -0.185 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.190 -5.645 -0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.881 -6.428 -0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.478 -5.485 -1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.350 -4.745 -0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.682 -5.940 1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.183 -4.237 1.697 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.866 -4.641 2.114 1.00 0.00 H new ATOM 1298 N ARG A 86 -7.303 -0.701 0.850 1.00 0.00 N ATOM 1299 CA ARG A 86 -7.484 0.727 0.624 1.00 0.00 C ATOM 1300 C ARG A 86 -6.175 1.378 0.184 1.00 0.00 C ATOM 1301 O ARG A 86 -5.396 1.852 1.011 1.00 0.00 O ATOM 1302 CB ARG A 86 -8.000 1.405 1.894 1.00 0.00 C ATOM 1303 CG ARG A 86 -9.517 1.429 1.999 1.00 0.00 C ATOM 1304 CD ARG A 86 -9.993 2.521 2.943 1.00 0.00 C ATOM 1305 NE ARG A 86 -11.377 2.316 3.363 1.00 0.00 N ATOM 1306 CZ ARG A 86 -12.427 2.710 2.651 1.00 0.00 C ATOM 1307 NH1 ARG A 86 -12.252 3.325 1.490 1.00 0.00 N ATOM 1308 NH2 ARG A 86 -13.656 2.487 3.100 1.00 0.00 N ATOM 0 H ARG A 86 -7.185 -0.962 1.829 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.219 0.853 -0.171 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -7.592 0.888 2.763 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -7.626 2.428 1.927 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.949 1.587 1.011 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.874 0.461 2.351 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.348 2.548 3.821 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.903 3.490 2.452 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.546 1.845 4.252 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.309 3.497 1.141 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.060 3.626 0.946 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.795 2.013 3.992 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.462 2.790 2.553 1.00 0.00 H new ATOM 1322 N VAL A 87 -5.940 1.396 -1.125 1.00 0.00 N ATOM 1323 CA VAL A 87 -4.727 1.988 -1.675 1.00 0.00 C ATOM 1324 C VAL A 87 -5.037 3.279 -2.425 1.00 0.00 C ATOM 1325 O VAL A 87 -5.253 3.267 -3.636 1.00 0.00 O ATOM 1326 CB VAL A 87 -4.009 1.013 -2.628 1.00 0.00 C ATOM 1327 CG1 VAL A 87 -2.566 1.442 -2.842 1.00 0.00 C ATOM 1328 CG2 VAL A 87 -4.078 -0.407 -2.088 1.00 0.00 C ATOM 0 H VAL A 87 -6.574 1.007 -1.823 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.072 2.209 -0.832 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.516 1.035 -3.593 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.075 0.742 -3.518 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.544 2.441 -3.276 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.043 1.451 -1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.566 -1.082 -2.774 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -3.597 -0.448 -1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.121 -0.709 -1.992 1.00 0.00 H new ATOM 1338 N GLN A 88 -5.056 4.390 -1.696 1.00 0.00 N ATOM 1339 CA GLN A 88 -5.339 5.690 -2.292 1.00 0.00 C ATOM 1340 C GLN A 88 -4.380 6.752 -1.765 1.00 0.00 C ATOM 1341 O GLN A 88 -3.548 6.477 -0.901 1.00 0.00 O ATOM 1342 CB GLN A 88 -6.784 6.102 -2.005 1.00 0.00 C ATOM 1343 CG GLN A 88 -7.101 6.213 -0.522 1.00 0.00 C ATOM 1344 CD GLN A 88 -8.577 6.032 -0.226 1.00 0.00 C ATOM 1345 OE1 GLN A 88 -9.288 5.339 -0.955 1.00 0.00 O ATOM 1346 NE2 GLN A 88 -9.046 6.655 0.849 1.00 0.00 N ATOM 0 H GLN A 88 -4.879 4.416 -0.692 1.00 0.00 H new ATOM 0 HA GLN A 88 -5.200 5.605 -3.370 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -6.982 7.061 -2.483 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -7.458 5.375 -2.459 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -6.530 5.463 0.025 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -6.778 7.188 -0.157 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.421 7.219 1.425 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -10.031 6.569 1.099 1.00 0.00 H new ATOM 1355 N VAL A 89 -4.502 7.966 -2.291 1.00 0.00 N ATOM 1356 CA VAL A 89 -3.647 9.070 -1.873 1.00 0.00 C ATOM 1357 C VAL A 89 -4.016 9.552 -0.475 1.00 0.00 C ATOM 1358 O VAL A 89 -5.193 9.705 -0.150 1.00 0.00 O ATOM 1359 CB VAL A 89 -3.739 10.254 -2.854 1.00 0.00 C ATOM 1360 CG1 VAL A 89 -2.788 11.367 -2.439 1.00 0.00 C ATOM 1361 CG2 VAL A 89 -3.447 9.794 -4.274 1.00 0.00 C ATOM 0 H VAL A 89 -5.185 8.210 -3.008 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.624 8.693 -1.866 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.755 10.648 -2.826 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.867 12.195 -3.144 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.049 11.715 -1.440 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.765 10.990 -2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.517 10.644 -4.953 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.443 9.373 -4.321 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.172 9.035 -4.567 1.00 0.00 H new