USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 515 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 THR OG1 : rot 93:sc= 0.821 USER MOD Set 1.2: A 50 GLN :FLIP amide:sc= -2.46! C(o=-2.3!,f=-1.6!) USER MOD Single : A 11 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.268) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 150:sc= -0.829 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc=-0.00455 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0373 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN :FLIP amide:sc= -3.33! C(o=-4.8!,f=-3.3!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0935) USER MOD Single : A 42 GLN : amide:sc= -2.36 X(o=-2.4,f=-2.6!) USER MOD Single : A 44 ASN : amide:sc= -1.43 X(o=-1.4,f=-1.5) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HE2:sc= -9.22! C(o=-9.2!,f=-9.5!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 137 N LYS A 11 2.784 8.027 -3.773 1.00 0.00 N ATOM 138 CA LYS A 11 4.054 7.376 -4.230 1.00 0.00 C ATOM 139 C LYS A 11 4.028 5.877 -3.911 1.00 0.00 C ATOM 140 O LYS A 11 3.799 5.056 -4.777 1.00 0.00 O ATOM 141 CB LYS A 11 5.182 8.077 -3.459 1.00 0.00 C ATOM 142 CG LYS A 11 5.990 8.962 -4.415 1.00 0.00 C ATOM 143 CD LYS A 11 7.478 8.624 -4.296 1.00 0.00 C ATOM 144 CE LYS A 11 8.244 9.268 -5.454 1.00 0.00 C ATOM 145 NZ LYS A 11 8.256 10.725 -5.142 1.00 0.00 N ATOM 0 HA LYS A 11 4.192 7.468 -5.307 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.764 8.682 -2.654 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.834 7.336 -2.996 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.653 8.809 -5.440 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.826 10.013 -4.179 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.868 8.984 -3.344 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.618 7.543 -4.310 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.257 8.871 -5.527 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.755 9.072 -6.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.940 11.207 -5.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.308 11.122 -5.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.528 10.865 -4.148 1.00 0.00 H new ATOM 159 N TYR A 12 4.258 5.516 -2.677 1.00 0.00 N ATOM 160 CA TYR A 12 4.243 4.071 -2.302 1.00 0.00 C ATOM 161 C TYR A 12 3.561 3.892 -0.943 1.00 0.00 C ATOM 162 O TYR A 12 3.076 4.839 -0.356 1.00 0.00 O ATOM 163 CB TYR A 12 5.713 3.666 -2.222 1.00 0.00 C ATOM 164 CG TYR A 12 6.260 3.463 -3.614 1.00 0.00 C ATOM 165 CD1 TYR A 12 6.763 4.552 -4.335 1.00 0.00 C ATOM 166 CD2 TYR A 12 6.263 2.185 -4.186 1.00 0.00 C ATOM 167 CE1 TYR A 12 7.270 4.364 -5.626 1.00 0.00 C ATOM 168 CE2 TYR A 12 6.771 1.996 -5.478 1.00 0.00 C ATOM 169 CZ TYR A 12 7.275 3.086 -6.198 1.00 0.00 C ATOM 170 OH TYR A 12 7.775 2.901 -7.469 1.00 0.00 O ATOM 0 H TYR A 12 4.456 6.160 -1.911 1.00 0.00 H new ATOM 0 HA TYR A 12 3.694 3.461 -3.019 1.00 0.00 H new ATOM 0 HB2 TYR A 12 6.285 4.436 -1.705 1.00 0.00 H new ATOM 0 HB3 TYR A 12 5.817 2.749 -1.642 1.00 0.00 H new ATOM 0 HD1 TYR A 12 6.760 5.538 -3.895 1.00 0.00 H new ATOM 0 HD2 TYR A 12 5.873 1.344 -3.631 1.00 0.00 H new ATOM 0 HE1 TYR A 12 7.658 5.205 -6.181 1.00 0.00 H new ATOM 0 HE2 TYR A 12 6.774 1.010 -5.918 1.00 0.00 H new ATOM 0 HH TYR A 12 7.705 1.955 -7.714 1.00 0.00 H new ATOM 180 N ALA A 13 3.518 2.687 -0.437 1.00 0.00 N ATOM 181 CA ALA A 13 2.863 2.463 0.885 1.00 0.00 C ATOM 182 C ALA A 13 3.317 1.135 1.501 1.00 0.00 C ATOM 183 O ALA A 13 3.502 0.150 0.815 1.00 0.00 O ATOM 184 CB ALA A 13 1.365 2.428 0.581 1.00 0.00 C ATOM 0 H ALA A 13 3.906 1.853 -0.879 1.00 0.00 H new ATOM 0 HA ALA A 13 3.120 3.241 1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.810 2.266 1.505 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.062 3.376 0.137 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.154 1.617 -0.116 1.00 0.00 H new ATOM 190 N ARG A 14 3.487 1.108 2.797 1.00 0.00 N ATOM 191 CA ARG A 14 3.918 -0.146 3.482 1.00 0.00 C ATOM 192 C ARG A 14 2.698 -0.825 4.118 1.00 0.00 C ATOM 193 O ARG A 14 1.668 -0.209 4.306 1.00 0.00 O ATOM 194 CB ARG A 14 4.908 0.329 4.556 1.00 0.00 C ATOM 195 CG ARG A 14 5.215 -0.801 5.547 1.00 0.00 C ATOM 196 CD ARG A 14 5.982 -1.917 4.837 1.00 0.00 C ATOM 197 NE ARG A 14 7.418 -1.569 5.024 1.00 0.00 N ATOM 198 CZ ARG A 14 8.222 -2.410 5.614 1.00 0.00 C ATOM 199 NH1 ARG A 14 8.496 -3.555 5.051 1.00 0.00 N ATOM 200 NH2 ARG A 14 8.753 -2.106 6.767 1.00 0.00 N ATOM 0 H ARG A 14 3.345 1.907 3.415 1.00 0.00 H new ATOM 0 HA ARG A 14 4.370 -0.874 2.808 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.831 0.666 4.084 1.00 0.00 H new ATOM 0 HB3 ARG A 14 4.492 1.184 5.089 1.00 0.00 H new ATOM 0 HG2 ARG A 14 5.803 -0.417 6.381 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.288 -1.193 5.965 1.00 0.00 H new ATOM 0 HD2 ARG A 14 5.752 -2.891 5.268 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.721 -1.966 3.780 1.00 0.00 H new ATOM 0 HE ARG A 14 7.773 -0.673 4.691 1.00 0.00 H new ATOM 0 HH11 ARG A 14 8.082 -3.792 4.150 1.00 0.00 H new ATOM 0 HH12 ARG A 14 9.125 -4.213 5.512 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.539 -1.211 7.207 1.00 0.00 H new ATOM 0 HH22 ARG A 14 9.382 -2.764 7.228 1.00 0.00 H new ATOM 214 N ALA A 15 2.807 -2.082 4.455 1.00 0.00 N ATOM 215 CA ALA A 15 1.658 -2.792 5.084 1.00 0.00 C ATOM 216 C ALA A 15 1.840 -2.799 6.599 1.00 0.00 C ATOM 217 O ALA A 15 2.802 -3.339 7.115 1.00 0.00 O ATOM 218 CB ALA A 15 1.700 -4.214 4.524 1.00 0.00 C ATOM 0 H ALA A 15 3.645 -2.648 4.321 1.00 0.00 H new ATOM 0 HA ALA A 15 0.702 -2.315 4.871 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.880 -4.795 4.945 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.601 -4.181 3.439 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.649 -4.681 4.788 1.00 0.00 H new ATOM 224 N LEU A 16 0.929 -2.181 7.304 1.00 0.00 N ATOM 225 CA LEU A 16 1.029 -2.107 8.792 1.00 0.00 C ATOM 226 C LEU A 16 0.662 -3.445 9.445 1.00 0.00 C ATOM 227 O LEU A 16 1.067 -3.726 10.557 1.00 0.00 O ATOM 228 CB LEU A 16 0.024 -1.021 9.193 1.00 0.00 C ATOM 229 CG LEU A 16 0.758 0.184 9.791 1.00 0.00 C ATOM 230 CD1 LEU A 16 1.459 -0.231 11.086 1.00 0.00 C ATOM 231 CD2 LEU A 16 1.796 0.705 8.793 1.00 0.00 C ATOM 0 H LEU A 16 0.111 -1.719 6.908 1.00 0.00 H new ATOM 0 HA LEU A 16 2.044 -1.881 9.118 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.553 -0.709 8.322 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.685 -1.421 9.918 1.00 0.00 H new ATOM 0 HG LEU A 16 0.036 0.972 10.006 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.980 0.628 11.509 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.720 -0.594 11.800 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.177 -1.023 10.873 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.315 1.562 9.222 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.516 -0.083 8.572 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.296 1.008 7.873 1.00 0.00 H new ATOM 243 N LYS A 17 -0.102 -4.272 8.777 1.00 0.00 N ATOM 244 CA LYS A 17 -0.480 -5.583 9.387 1.00 0.00 C ATOM 245 C LYS A 17 -1.031 -6.539 8.328 1.00 0.00 C ATOM 246 O LYS A 17 -1.685 -6.134 7.388 1.00 0.00 O ATOM 247 CB LYS A 17 -1.553 -5.258 10.430 1.00 0.00 C ATOM 248 CG LYS A 17 -2.721 -4.514 9.776 1.00 0.00 C ATOM 249 CD LYS A 17 -3.619 -3.934 10.873 1.00 0.00 C ATOM 250 CE LYS A 17 -2.855 -2.851 11.640 1.00 0.00 C ATOM 251 NZ LYS A 17 -3.907 -1.934 12.160 1.00 0.00 N ATOM 0 H LYS A 17 -0.477 -4.099 7.845 1.00 0.00 H new ATOM 0 HA LYS A 17 0.382 -6.078 9.834 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.912 -6.178 10.892 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.124 -4.648 11.225 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.347 -3.716 9.134 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.292 -5.192 9.142 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.523 -3.513 10.433 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.934 -4.724 11.555 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.269 -3.281 12.452 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.158 -2.323 10.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.461 -1.164 12.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.444 -1.535 11.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.552 -2.462 12.782 1.00 0.00 H new ATOM 265 N ASP A 18 -0.770 -7.812 8.482 1.00 0.00 N ATOM 266 CA ASP A 18 -1.275 -8.812 7.493 1.00 0.00 C ATOM 267 C ASP A 18 -2.782 -8.641 7.288 1.00 0.00 C ATOM 268 O ASP A 18 -3.482 -8.138 8.145 1.00 0.00 O ATOM 269 CB ASP A 18 -0.964 -10.179 8.110 1.00 0.00 C ATOM 270 CG ASP A 18 -1.687 -10.329 9.454 1.00 0.00 C ATOM 271 OD1 ASP A 18 -2.227 -9.344 9.932 1.00 0.00 O ATOM 272 OD2 ASP A 18 -1.689 -11.429 9.981 1.00 0.00 O ATOM 0 H ASP A 18 -0.227 -8.203 9.252 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.809 -8.695 6.515 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.275 -10.972 7.431 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.111 -10.286 8.253 1.00 0.00 H new ATOM 277 N TYR A 19 -3.283 -9.048 6.154 1.00 0.00 N ATOM 278 CA TYR A 19 -4.743 -8.899 5.889 1.00 0.00 C ATOM 279 C TYR A 19 -5.160 -9.792 4.713 1.00 0.00 C ATOM 280 O TYR A 19 -4.574 -9.750 3.648 1.00 0.00 O ATOM 281 CB TYR A 19 -4.910 -7.409 5.565 1.00 0.00 C ATOM 282 CG TYR A 19 -6.176 -7.168 4.776 1.00 0.00 C ATOM 283 CD1 TYR A 19 -7.377 -6.907 5.445 1.00 0.00 C ATOM 284 CD2 TYR A 19 -6.142 -7.187 3.376 1.00 0.00 C ATOM 285 CE1 TYR A 19 -8.547 -6.667 4.715 1.00 0.00 C ATOM 286 CE2 TYR A 19 -7.312 -6.944 2.644 1.00 0.00 C ATOM 287 CZ TYR A 19 -8.515 -6.683 3.315 1.00 0.00 C ATOM 288 OH TYR A 19 -9.668 -6.440 2.598 1.00 0.00 O ATOM 0 H TYR A 19 -2.746 -9.477 5.400 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.370 -9.202 6.727 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.938 -6.832 6.490 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.049 -7.058 4.996 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -7.401 -6.891 6.525 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.215 -7.389 2.861 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -9.475 -6.469 5.232 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.287 -6.958 1.564 1.00 0.00 H new ATOM 0 HH TYR A 19 -9.439 -6.021 1.742 1.00 0.00 H new ATOM 298 N ASN A 20 -6.168 -10.600 4.907 1.00 0.00 N ATOM 299 CA ASN A 20 -6.632 -11.505 3.814 1.00 0.00 C ATOM 300 C ASN A 20 -7.805 -10.870 3.062 1.00 0.00 C ATOM 301 O ASN A 20 -8.339 -9.855 3.466 1.00 0.00 O ATOM 302 CB ASN A 20 -7.079 -12.784 4.524 1.00 0.00 C ATOM 303 CG ASN A 20 -5.987 -13.848 4.397 1.00 0.00 C ATOM 304 OD1 ASN A 20 -5.932 -14.564 3.416 1.00 0.00 O ATOM 305 ND2 ASN A 20 -5.111 -13.985 5.354 1.00 0.00 N ATOM 0 H ASN A 20 -6.692 -10.673 5.779 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.852 -11.698 3.078 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.280 -12.578 5.575 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -8.009 -13.149 4.088 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.380 -14.693 5.279 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.157 -13.384 6.177 1.00 0.00 H new ATOM 312 N VAL A 21 -8.206 -11.458 1.966 1.00 0.00 N ATOM 313 CA VAL A 21 -9.342 -10.889 1.179 1.00 0.00 C ATOM 314 C VAL A 21 -10.047 -11.993 0.386 1.00 0.00 C ATOM 315 O VAL A 21 -9.432 -12.948 -0.047 1.00 0.00 O ATOM 316 CB VAL A 21 -8.722 -9.869 0.214 1.00 0.00 C ATOM 317 CG1 VAL A 21 -9.168 -8.463 0.610 1.00 0.00 C ATOM 318 CG2 VAL A 21 -7.189 -9.942 0.251 1.00 0.00 C ATOM 0 H VAL A 21 -7.796 -12.309 1.580 1.00 0.00 H new ATOM 0 HA VAL A 21 -10.083 -10.428 1.832 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.057 -10.100 -0.797 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.729 -7.736 -0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -10.255 -8.398 0.560 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.839 -8.250 1.627 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.773 -9.210 -0.441 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.839 -9.727 1.261 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.865 -10.941 -0.040 1.00 0.00 H new ATOM 328 N SER A 22 -11.332 -11.863 0.189 1.00 0.00 N ATOM 329 CA SER A 22 -12.078 -12.899 -0.583 1.00 0.00 C ATOM 330 C SER A 22 -13.021 -12.233 -1.590 1.00 0.00 C ATOM 331 O SER A 22 -14.169 -11.965 -1.294 1.00 0.00 O ATOM 332 CB SER A 22 -12.872 -13.679 0.463 1.00 0.00 C ATOM 333 OG SER A 22 -11.986 -14.510 1.201 1.00 0.00 O ATOM 0 H SER A 22 -11.897 -11.085 0.529 1.00 0.00 H new ATOM 0 HA SER A 22 -11.413 -13.547 -1.154 1.00 0.00 H new ATOM 0 HB2 SER A 22 -13.387 -12.991 1.133 1.00 0.00 H new ATOM 0 HB3 SER A 22 -13.638 -14.284 -0.022 1.00 0.00 H new ATOM 0 HG SER A 22 -12.492 -15.011 1.874 1.00 0.00 H new ATOM 339 N ASP A 23 -12.548 -11.966 -2.779 1.00 0.00 N ATOM 340 CA ASP A 23 -13.421 -11.320 -3.802 1.00 0.00 C ATOM 341 C ASP A 23 -12.859 -11.559 -5.213 1.00 0.00 C ATOM 342 O ASP A 23 -13.147 -12.561 -5.836 1.00 0.00 O ATOM 343 CB ASP A 23 -13.415 -9.831 -3.446 1.00 0.00 C ATOM 344 CG ASP A 23 -14.578 -9.529 -2.500 1.00 0.00 C ATOM 345 OD1 ASP A 23 -15.689 -9.390 -2.983 1.00 0.00 O ATOM 346 OD2 ASP A 23 -14.336 -9.440 -1.307 1.00 0.00 O ATOM 0 H ASP A 23 -11.596 -12.167 -3.085 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.432 -11.727 -3.803 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.470 -9.563 -2.975 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -13.502 -9.229 -4.351 1.00 0.00 H new ATOM 351 N THR A 24 -12.060 -10.653 -5.725 1.00 0.00 N ATOM 352 CA THR A 24 -11.491 -10.842 -7.094 1.00 0.00 C ATOM 353 C THR A 24 -10.357 -9.844 -7.348 1.00 0.00 C ATOM 354 O THR A 24 -9.318 -10.194 -7.873 1.00 0.00 O ATOM 355 CB THR A 24 -12.654 -10.580 -8.059 1.00 0.00 C ATOM 356 OG1 THR A 24 -13.623 -9.754 -7.429 1.00 0.00 O ATOM 357 CG2 THR A 24 -13.297 -11.909 -8.463 1.00 0.00 C ATOM 0 H THR A 24 -11.779 -9.793 -5.254 1.00 0.00 H new ATOM 0 HA THR A 24 -11.072 -11.840 -7.221 1.00 0.00 H new ATOM 0 HB THR A 24 -12.276 -10.077 -8.949 1.00 0.00 H new ATOM 0 HG1 THR A 24 -14.364 -9.587 -8.049 1.00 0.00 H new ATOM 0 HG21 THR A 24 -14.123 -11.720 -9.149 1.00 0.00 H new ATOM 0 HG22 THR A 24 -12.554 -12.538 -8.954 1.00 0.00 H new ATOM 0 HG23 THR A 24 -13.672 -12.417 -7.574 1.00 0.00 H new ATOM 365 N SER A 25 -10.549 -8.603 -6.985 1.00 0.00 N ATOM 366 CA SER A 25 -9.483 -7.582 -7.213 1.00 0.00 C ATOM 367 C SER A 25 -8.837 -7.177 -5.886 1.00 0.00 C ATOM 368 O SER A 25 -8.530 -6.022 -5.660 1.00 0.00 O ATOM 369 CB SER A 25 -10.203 -6.391 -7.843 1.00 0.00 C ATOM 370 OG SER A 25 -11.457 -6.205 -7.198 1.00 0.00 O ATOM 0 H SER A 25 -11.397 -8.252 -6.541 1.00 0.00 H new ATOM 0 HA SER A 25 -8.683 -7.960 -7.850 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.595 -5.492 -7.747 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.351 -6.563 -8.909 1.00 0.00 H new ATOM 0 HG SER A 25 -11.921 -5.440 -7.599 1.00 0.00 H new ATOM 376 N LEU A 26 -8.633 -8.119 -5.008 1.00 0.00 N ATOM 377 CA LEU A 26 -8.013 -7.799 -3.691 1.00 0.00 C ATOM 378 C LEU A 26 -6.541 -8.213 -3.683 1.00 0.00 C ATOM 379 O LEU A 26 -5.996 -8.629 -4.686 1.00 0.00 O ATOM 380 CB LEU A 26 -8.794 -8.628 -2.677 1.00 0.00 C ATOM 381 CG LEU A 26 -10.108 -7.927 -2.310 1.00 0.00 C ATOM 382 CD1 LEU A 26 -9.814 -6.574 -1.657 1.00 0.00 C ATOM 383 CD2 LEU A 26 -10.954 -7.717 -3.568 1.00 0.00 C ATOM 0 H LEU A 26 -8.870 -9.101 -5.146 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.049 -6.732 -3.470 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.004 -9.615 -3.089 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.192 -8.779 -1.781 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.658 -8.552 -1.606 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.752 -6.083 -1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.224 -6.727 -0.753 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.256 -5.948 -2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.886 -7.219 -3.301 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.403 -7.100 -4.278 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.176 -8.683 -4.022 1.00 0.00 H new ATOM 395 N LEU A 27 -5.894 -8.098 -2.554 1.00 0.00 N ATOM 396 CA LEU A 27 -4.456 -8.478 -2.470 1.00 0.00 C ATOM 397 C LEU A 27 -4.116 -8.910 -1.036 1.00 0.00 C ATOM 398 O LEU A 27 -4.006 -8.083 -0.153 1.00 0.00 O ATOM 399 CB LEU A 27 -3.698 -7.201 -2.869 1.00 0.00 C ATOM 400 CG LEU A 27 -2.277 -7.210 -2.302 1.00 0.00 C ATOM 401 CD1 LEU A 27 -1.509 -8.401 -2.875 1.00 0.00 C ATOM 402 CD2 LEU A 27 -1.575 -5.908 -2.695 1.00 0.00 C ATOM 0 H LEU A 27 -6.302 -7.756 -1.684 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.194 -9.317 -3.115 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.660 -7.120 -3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.234 -6.326 -2.503 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.312 -7.294 -1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.496 -8.409 -2.472 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.016 -9.326 -2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.467 -8.318 -3.961 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.561 -5.906 -2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.536 -5.829 -3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.127 -5.060 -2.289 1.00 0.00 H new ATOM 414 N PRO A 28 -3.959 -10.197 -0.847 1.00 0.00 N ATOM 415 CA PRO A 28 -3.620 -10.721 0.494 1.00 0.00 C ATOM 416 C PRO A 28 -2.128 -10.520 0.772 1.00 0.00 C ATOM 417 O PRO A 28 -1.285 -10.994 0.036 1.00 0.00 O ATOM 418 CB PRO A 28 -3.955 -12.206 0.394 1.00 0.00 C ATOM 419 CG PRO A 28 -3.848 -12.538 -1.063 1.00 0.00 C ATOM 420 CD PRO A 28 -4.082 -11.268 -1.843 1.00 0.00 C ATOM 0 HA PRO A 28 -4.157 -10.223 1.301 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.264 -12.806 0.986 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.957 -12.409 0.771 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -2.865 -12.950 -1.290 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.582 -13.296 -1.337 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.350 -11.153 -2.642 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.067 -11.265 -2.310 1.00 0.00 H new ATOM 428 N PHE A 29 -1.795 -9.824 1.825 1.00 0.00 N ATOM 429 CA PHE A 29 -0.353 -9.598 2.140 1.00 0.00 C ATOM 430 C PHE A 29 -0.114 -9.726 3.646 1.00 0.00 C ATOM 431 O PHE A 29 -1.041 -9.832 4.425 1.00 0.00 O ATOM 432 CB PHE A 29 -0.050 -8.177 1.660 1.00 0.00 C ATOM 433 CG PHE A 29 -0.948 -7.190 2.369 1.00 0.00 C ATOM 434 CD1 PHE A 29 -0.640 -6.770 3.667 1.00 0.00 C ATOM 435 CD2 PHE A 29 -2.085 -6.692 1.724 1.00 0.00 C ATOM 436 CE1 PHE A 29 -1.471 -5.853 4.322 1.00 0.00 C ATOM 437 CE2 PHE A 29 -2.918 -5.777 2.378 1.00 0.00 C ATOM 438 CZ PHE A 29 -2.610 -5.357 3.678 1.00 0.00 C ATOM 0 H PHE A 29 -2.455 -9.403 2.479 1.00 0.00 H new ATOM 0 HA PHE A 29 0.292 -10.330 1.655 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.995 -7.934 1.853 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.200 -8.109 0.582 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.239 -7.153 4.164 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.320 -7.014 0.720 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.233 -5.529 5.324 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.797 -5.395 1.881 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.252 -4.650 4.183 1.00 0.00 H new ATOM 448 N LYS A 30 1.124 -9.720 4.058 1.00 0.00 N ATOM 449 CA LYS A 30 1.426 -9.845 5.513 1.00 0.00 C ATOM 450 C LYS A 30 1.926 -8.509 6.070 1.00 0.00 C ATOM 451 O LYS A 30 2.245 -7.598 5.333 1.00 0.00 O ATOM 452 CB LYS A 30 2.523 -10.909 5.599 1.00 0.00 C ATOM 453 CG LYS A 30 2.271 -11.808 6.813 1.00 0.00 C ATOM 454 CD LYS A 30 2.553 -13.266 6.439 1.00 0.00 C ATOM 455 CE LYS A 30 2.866 -14.067 7.704 1.00 0.00 C ATOM 456 NZ LYS A 30 2.292 -15.419 7.455 1.00 0.00 N ATOM 0 H LYS A 30 1.939 -9.634 3.451 1.00 0.00 H new ATOM 0 HA LYS A 30 0.546 -10.118 6.095 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.537 -11.507 4.688 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.500 -10.433 5.683 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.910 -11.504 7.642 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.240 -11.701 7.150 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.691 -13.695 5.929 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.392 -13.319 5.746 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.940 -14.121 7.882 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.420 -13.605 8.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.467 -16.028 8.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.267 -15.337 7.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.740 -15.837 6.615 1.00 0.00 H new ATOM 470 N ARG A 31 1.990 -8.391 7.369 1.00 0.00 N ATOM 471 CA ARG A 31 2.462 -7.117 7.998 1.00 0.00 C ATOM 472 C ARG A 31 3.784 -6.653 7.376 1.00 0.00 C ATOM 473 O ARG A 31 4.370 -7.331 6.558 1.00 0.00 O ATOM 474 CB ARG A 31 2.672 -7.463 9.474 1.00 0.00 C ATOM 475 CG ARG A 31 2.779 -6.179 10.297 1.00 0.00 C ATOM 476 CD ARG A 31 2.183 -6.410 11.687 1.00 0.00 C ATOM 477 NE ARG A 31 2.798 -5.362 12.549 1.00 0.00 N ATOM 478 CZ ARG A 31 4.031 -5.494 12.957 1.00 0.00 C ATOM 479 NH1 ARG A 31 4.419 -6.613 13.505 1.00 0.00 N ATOM 480 NH2 ARG A 31 4.873 -4.508 12.816 1.00 0.00 N ATOM 0 H ARG A 31 1.734 -9.126 8.028 1.00 0.00 H new ATOM 0 HA ARG A 31 1.747 -6.308 7.853 1.00 0.00 H new ATOM 0 HB2 ARG A 31 1.842 -8.070 9.836 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.578 -8.058 9.592 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.823 -5.876 10.383 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.252 -5.368 9.794 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.097 -6.320 11.671 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.415 -7.410 12.055 1.00 0.00 H new ATOM 0 HE ARG A 31 2.256 -4.542 12.820 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.759 -7.383 13.614 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.382 -6.717 13.824 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.568 -3.634 12.387 1.00 0.00 H new ATOM 0 HH22 ARG A 31 5.837 -4.611 13.135 1.00 0.00 H new ATOM 494 N ASN A 32 4.248 -5.494 7.778 1.00 0.00 N ATOM 495 CA ASN A 32 5.535 -4.931 7.247 1.00 0.00 C ATOM 496 C ASN A 32 5.759 -5.314 5.778 1.00 0.00 C ATOM 497 O ASN A 32 6.753 -5.919 5.432 1.00 0.00 O ATOM 498 CB ASN A 32 6.633 -5.523 8.136 1.00 0.00 C ATOM 499 CG ASN A 32 6.635 -7.049 8.025 1.00 0.00 C ATOM 500 OD1 ASN A 32 5.945 -7.753 8.881 1.00 0.00 O flip ATOM 501 ND2 ASN A 32 7.272 -7.607 7.154 1.00 0.00 N flip ATOM 0 H ASN A 32 3.781 -4.902 8.465 1.00 0.00 H new ATOM 0 HA ASN A 32 5.529 -3.841 7.272 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.604 -5.128 7.839 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.472 -5.226 9.172 1.00 0.00 H new ATOM 0 HD21 ASN A 32 7.811 -7.057 6.485 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.268 -8.625 7.092 1.00 0.00 H new ATOM 508 N ASP A 33 4.844 -4.961 4.914 1.00 0.00 N ATOM 509 CA ASP A 33 5.018 -5.309 3.467 1.00 0.00 C ATOM 510 C ASP A 33 4.974 -4.043 2.603 1.00 0.00 C ATOM 511 O ASP A 33 4.078 -3.237 2.716 1.00 0.00 O ATOM 512 CB ASP A 33 3.844 -6.229 3.132 1.00 0.00 C ATOM 513 CG ASP A 33 4.335 -7.676 3.042 1.00 0.00 C ATOM 514 OD1 ASP A 33 5.425 -7.879 2.533 1.00 0.00 O ATOM 515 OD2 ASP A 33 3.615 -8.554 3.485 1.00 0.00 O ATOM 0 H ASP A 33 3.990 -4.451 5.141 1.00 0.00 H new ATOM 0 HA ASP A 33 5.978 -5.789 3.274 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.072 -6.143 3.897 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.391 -5.928 2.187 1.00 0.00 H new ATOM 520 N ILE A 34 5.931 -3.864 1.735 1.00 0.00 N ATOM 521 CA ILE A 34 5.931 -2.644 0.872 1.00 0.00 C ATOM 522 C ILE A 34 4.984 -2.838 -0.315 1.00 0.00 C ATOM 523 O ILE A 34 5.272 -3.567 -1.243 1.00 0.00 O ATOM 524 CB ILE A 34 7.375 -2.499 0.393 1.00 0.00 C ATOM 525 CG1 ILE A 34 8.287 -2.203 1.591 1.00 0.00 C ATOM 526 CG2 ILE A 34 7.476 -1.360 -0.625 1.00 0.00 C ATOM 527 CD1 ILE A 34 7.904 -0.861 2.221 1.00 0.00 C ATOM 0 H ILE A 34 6.710 -4.505 1.584 1.00 0.00 H new ATOM 0 HA ILE A 34 5.590 -1.757 1.406 1.00 0.00 H new ATOM 0 HB ILE A 34 7.689 -3.429 -0.081 1.00 0.00 H new ATOM 0 HG12 ILE A 34 8.200 -2.999 2.330 1.00 0.00 H new ATOM 0 HG13 ILE A 34 9.328 -2.179 1.269 1.00 0.00 H new ATOM 0 HG21 ILE A 34 8.508 -1.263 -0.961 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.835 -1.578 -1.479 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.157 -0.427 -0.160 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.556 -0.659 3.071 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.014 -0.067 1.482 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.869 -0.900 2.560 1.00 0.00 H new ATOM 539 N ILE A 35 3.852 -2.186 -0.286 1.00 0.00 N ATOM 540 CA ILE A 35 2.876 -2.320 -1.404 1.00 0.00 C ATOM 541 C ILE A 35 3.166 -1.275 -2.486 1.00 0.00 C ATOM 542 O ILE A 35 3.189 -0.088 -2.225 1.00 0.00 O ATOM 543 CB ILE A 35 1.508 -2.070 -0.760 1.00 0.00 C ATOM 544 CG1 ILE A 35 1.174 -3.228 0.182 1.00 0.00 C ATOM 545 CG2 ILE A 35 0.429 -1.967 -1.844 1.00 0.00 C ATOM 546 CD1 ILE A 35 0.321 -2.712 1.342 1.00 0.00 C ATOM 0 H ILE A 35 3.561 -1.564 0.468 1.00 0.00 H new ATOM 0 HA ILE A 35 2.926 -3.295 -1.888 1.00 0.00 H new ATOM 0 HB ILE A 35 1.540 -1.136 -0.200 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.638 -4.008 -0.359 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.091 -3.677 0.563 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.540 -1.789 -1.377 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.665 -1.141 -2.515 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.393 -2.897 -2.411 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.083 -3.537 2.013 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.874 -1.948 1.888 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.602 -2.283 0.952 1.00 0.00 H new ATOM 558 N THR A 36 3.377 -1.712 -3.698 1.00 0.00 N ATOM 559 CA THR A 36 3.657 -0.748 -4.801 1.00 0.00 C ATOM 560 C THR A 36 2.389 0.042 -5.134 1.00 0.00 C ATOM 561 O THR A 36 1.575 -0.382 -5.931 1.00 0.00 O ATOM 562 CB THR A 36 4.077 -1.612 -5.991 1.00 0.00 C ATOM 563 OG1 THR A 36 5.062 -2.547 -5.571 1.00 0.00 O ATOM 564 CG2 THR A 36 4.654 -0.721 -7.093 1.00 0.00 C ATOM 0 H THR A 36 3.368 -2.694 -3.972 1.00 0.00 H new ATOM 0 HA THR A 36 4.428 -0.025 -4.535 1.00 0.00 H new ATOM 0 HB THR A 36 3.209 -2.146 -6.377 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.627 -3.384 -5.305 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.953 -1.338 -7.940 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.898 -0.004 -7.415 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.522 -0.185 -6.710 1.00 0.00 H new ATOM 572 N ILE A 37 2.215 1.185 -4.524 1.00 0.00 N ATOM 573 CA ILE A 37 0.998 2.006 -4.798 1.00 0.00 C ATOM 574 C ILE A 37 0.898 2.321 -6.296 1.00 0.00 C ATOM 575 O ILE A 37 1.415 3.315 -6.768 1.00 0.00 O ATOM 576 CB ILE A 37 1.197 3.286 -3.977 1.00 0.00 C ATOM 577 CG1 ILE A 37 1.066 2.966 -2.482 1.00 0.00 C ATOM 578 CG2 ILE A 37 0.150 4.332 -4.364 1.00 0.00 C ATOM 579 CD1 ILE A 37 -0.314 2.364 -2.193 1.00 0.00 C ATOM 0 H ILE A 37 2.864 1.586 -3.847 1.00 0.00 H new ATOM 0 HA ILE A 37 0.076 1.492 -4.528 1.00 0.00 H new ATOM 0 HB ILE A 37 2.191 3.683 -4.183 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.847 2.267 -2.182 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.207 3.873 -1.894 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.303 5.235 -3.774 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.248 4.570 -5.423 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.847 3.937 -4.171 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.398 2.140 -1.130 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.088 3.077 -2.476 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.438 1.446 -2.768 1.00 0.00 H new ATOM 591 N THR A 38 0.233 1.480 -7.042 1.00 0.00 N ATOM 592 CA THR A 38 0.093 1.720 -8.506 1.00 0.00 C ATOM 593 C THR A 38 -0.975 2.789 -8.770 1.00 0.00 C ATOM 594 O THR A 38 -0.995 3.415 -9.811 1.00 0.00 O ATOM 595 CB THR A 38 -0.324 0.369 -9.097 1.00 0.00 C ATOM 596 OG1 THR A 38 -0.470 0.494 -10.505 1.00 0.00 O ATOM 597 CG2 THR A 38 -1.647 -0.076 -8.484 1.00 0.00 C ATOM 0 H THR A 38 -0.221 0.634 -6.698 1.00 0.00 H new ATOM 0 HA THR A 38 1.017 2.085 -8.955 1.00 0.00 H new ATOM 0 HB THR A 38 0.442 -0.374 -8.874 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.735 -0.370 -10.884 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.939 -1.037 -8.907 1.00 0.00 H new ATOM 0 HG22 THR A 38 -1.533 -0.175 -7.404 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.416 0.665 -8.701 1.00 0.00 H new ATOM 605 N PHE A 39 -1.864 3.001 -7.832 1.00 0.00 N ATOM 606 CA PHE A 39 -2.929 4.028 -8.028 1.00 0.00 C ATOM 607 C PHE A 39 -3.699 4.242 -6.722 1.00 0.00 C ATOM 608 O PHE A 39 -4.248 3.317 -6.156 1.00 0.00 O ATOM 609 CB PHE A 39 -3.849 3.446 -9.102 1.00 0.00 C ATOM 610 CG PHE A 39 -4.892 4.470 -9.483 1.00 0.00 C ATOM 611 CD1 PHE A 39 -4.613 5.417 -10.477 1.00 0.00 C ATOM 612 CD2 PHE A 39 -6.137 4.473 -8.844 1.00 0.00 C ATOM 613 CE1 PHE A 39 -5.580 6.366 -10.830 1.00 0.00 C ATOM 614 CE2 PHE A 39 -7.103 5.421 -9.197 1.00 0.00 C ATOM 615 CZ PHE A 39 -6.825 6.368 -10.191 1.00 0.00 C ATOM 0 H PHE A 39 -1.897 2.507 -6.940 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.522 4.996 -8.322 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.267 3.161 -9.978 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.331 2.541 -8.731 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.652 5.415 -10.971 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.352 3.743 -8.078 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.365 7.097 -11.596 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -8.063 5.423 -8.703 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.571 7.099 -10.464 1.00 0.00 H new ATOM 625 N LYS A 40 -3.744 5.455 -6.241 1.00 0.00 N ATOM 626 CA LYS A 40 -4.481 5.728 -4.972 1.00 0.00 C ATOM 627 C LYS A 40 -5.978 5.485 -5.175 1.00 0.00 C ATOM 628 O LYS A 40 -6.458 5.428 -6.291 1.00 0.00 O ATOM 629 CB LYS A 40 -4.215 7.200 -4.663 1.00 0.00 C ATOM 630 CG LYS A 40 -2.715 7.411 -4.450 1.00 0.00 C ATOM 631 CD LYS A 40 -2.316 8.790 -4.978 1.00 0.00 C ATOM 632 CE LYS A 40 -1.025 8.678 -5.792 1.00 0.00 C ATOM 633 NZ LYS A 40 -1.473 8.417 -7.190 1.00 0.00 N ATOM 0 H LYS A 40 -3.303 6.268 -6.671 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.157 5.079 -4.158 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.569 7.825 -5.483 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.766 7.501 -3.772 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.472 7.331 -3.390 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.150 6.634 -4.966 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.114 9.197 -5.599 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.174 9.481 -4.147 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.438 9.595 -5.730 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.394 7.870 -5.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.807 7.766 -7.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.421 7.990 -7.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.504 9.313 -7.717 1.00 0.00 H new ATOM 647 N ASP A 41 -6.722 5.347 -4.110 1.00 0.00 N ATOM 648 CA ASP A 41 -8.190 5.114 -4.255 1.00 0.00 C ATOM 649 C ASP A 41 -8.966 6.172 -3.457 1.00 0.00 C ATOM 650 O ASP A 41 -9.196 7.266 -3.935 1.00 0.00 O ATOM 651 CB ASP A 41 -8.425 3.703 -3.705 1.00 0.00 C ATOM 652 CG ASP A 41 -9.922 3.386 -3.720 1.00 0.00 C ATOM 653 OD1 ASP A 41 -10.430 3.062 -4.781 1.00 0.00 O ATOM 654 OD2 ASP A 41 -10.537 3.472 -2.668 1.00 0.00 O ATOM 0 H ASP A 41 -6.380 5.385 -3.150 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.533 5.194 -5.287 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.883 2.973 -4.306 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -8.038 3.629 -2.689 1.00 0.00 H new ATOM 659 N GLN A 42 -9.360 5.870 -2.247 1.00 0.00 N ATOM 660 CA GLN A 42 -10.101 6.877 -1.437 1.00 0.00 C ATOM 661 C GLN A 42 -9.111 7.829 -0.758 1.00 0.00 C ATOM 662 O GLN A 42 -9.498 8.776 -0.101 1.00 0.00 O ATOM 663 CB GLN A 42 -10.868 6.064 -0.394 1.00 0.00 C ATOM 664 CG GLN A 42 -12.317 5.885 -0.851 1.00 0.00 C ATOM 665 CD GLN A 42 -12.923 4.659 -0.167 1.00 0.00 C ATOM 666 OE1 GLN A 42 -12.878 3.567 -0.700 1.00 0.00 O ATOM 667 NE2 GLN A 42 -13.493 4.793 0.999 1.00 0.00 N ATOM 0 H GLN A 42 -9.201 4.973 -1.788 1.00 0.00 H new ATOM 0 HA GLN A 42 -10.770 7.488 -2.043 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.396 5.091 -0.257 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.840 6.571 0.571 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -12.898 6.774 -0.607 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -12.355 5.766 -1.934 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -13.531 5.709 1.446 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -13.901 3.982 1.464 1.00 0.00 H new ATOM 676 N GLU A 43 -7.832 7.583 -0.910 1.00 0.00 N ATOM 677 CA GLU A 43 -6.809 8.467 -0.276 1.00 0.00 C ATOM 678 C GLU A 43 -7.109 8.636 1.215 1.00 0.00 C ATOM 679 O GLU A 43 -6.772 9.637 1.814 1.00 0.00 O ATOM 680 CB GLU A 43 -6.931 9.809 -1.006 1.00 0.00 C ATOM 681 CG GLU A 43 -5.593 10.161 -1.659 1.00 0.00 C ATOM 682 CD GLU A 43 -4.560 10.474 -0.573 1.00 0.00 C ATOM 683 OE1 GLU A 43 -4.784 11.409 0.177 1.00 0.00 O ATOM 684 OE2 GLU A 43 -3.565 9.772 -0.511 1.00 0.00 O ATOM 0 H GLU A 43 -7.453 6.804 -1.449 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.803 8.054 -0.353 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.713 9.753 -1.763 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.222 10.591 -0.305 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.248 9.331 -2.275 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.714 11.020 -2.319 1.00 0.00 H new ATOM 691 N ASN A 44 -7.742 7.661 1.819 1.00 0.00 N ATOM 692 CA ASN A 44 -8.062 7.773 3.274 1.00 0.00 C ATOM 693 C ASN A 44 -8.672 6.471 3.810 1.00 0.00 C ATOM 694 O ASN A 44 -8.472 6.118 4.957 1.00 0.00 O ATOM 695 CB ASN A 44 -9.079 8.914 3.373 1.00 0.00 C ATOM 696 CG ASN A 44 -8.398 10.158 3.946 1.00 0.00 C ATOM 697 OD1 ASN A 44 -8.426 11.212 3.343 1.00 0.00 O ATOM 698 ND2 ASN A 44 -7.785 10.080 5.095 1.00 0.00 N ATOM 0 H ASN A 44 -8.049 6.798 1.370 1.00 0.00 H new ATOM 0 HA ASN A 44 -7.166 7.962 3.866 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.492 9.134 2.388 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.913 8.618 4.009 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -7.329 10.904 5.487 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -7.761 9.195 5.601 1.00 0.00 H new ATOM 705 N LYS A 45 -9.425 5.762 3.009 1.00 0.00 N ATOM 706 CA LYS A 45 -10.048 4.499 3.510 1.00 0.00 C ATOM 707 C LYS A 45 -9.759 3.316 2.577 1.00 0.00 C ATOM 708 O LYS A 45 -10.123 2.193 2.871 1.00 0.00 O ATOM 709 CB LYS A 45 -11.548 4.791 3.548 1.00 0.00 C ATOM 710 CG LYS A 45 -11.905 5.456 4.879 1.00 0.00 C ATOM 711 CD LYS A 45 -13.427 5.530 5.020 1.00 0.00 C ATOM 712 CE LYS A 45 -13.966 6.690 4.179 1.00 0.00 C ATOM 713 NZ LYS A 45 -14.353 7.736 5.167 1.00 0.00 N ATOM 0 H LYS A 45 -9.634 5.999 2.039 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.649 4.218 4.485 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.824 5.442 2.719 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.112 3.866 3.428 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.480 4.889 5.707 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.476 6.457 4.924 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.878 4.592 4.696 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.699 5.669 6.066 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.209 7.061 3.488 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.821 6.378 3.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.732 8.564 4.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.079 7.357 5.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.518 8.018 5.719 1.00 0.00 H new ATOM 727 N TRP A 46 -9.115 3.542 1.464 1.00 0.00 N ATOM 728 CA TRP A 46 -8.822 2.407 0.539 1.00 0.00 C ATOM 729 C TRP A 46 -7.663 2.758 -0.396 1.00 0.00 C ATOM 730 O TRP A 46 -7.350 3.913 -0.607 1.00 0.00 O ATOM 731 CB TRP A 46 -10.112 2.201 -0.255 1.00 0.00 C ATOM 732 CG TRP A 46 -10.976 1.206 0.451 1.00 0.00 C ATOM 733 CD1 TRP A 46 -12.121 1.498 1.110 1.00 0.00 C ATOM 734 CD2 TRP A 46 -10.783 -0.233 0.584 1.00 0.00 C ATOM 735 NE1 TRP A 46 -12.644 0.331 1.637 1.00 0.00 N ATOM 736 CE2 TRP A 46 -11.855 -0.763 1.340 1.00 0.00 C ATOM 737 CE3 TRP A 46 -9.793 -1.120 0.127 1.00 0.00 C ATOM 738 CZ2 TRP A 46 -11.942 -2.124 1.632 1.00 0.00 C ATOM 739 CZ3 TRP A 46 -9.876 -2.491 0.418 1.00 0.00 C ATOM 740 CH2 TRP A 46 -10.949 -2.992 1.170 1.00 0.00 C ATOM 0 H TRP A 46 -8.781 4.455 1.156 1.00 0.00 H new ATOM 0 HA TRP A 46 -8.525 1.507 1.077 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -10.641 3.148 -0.362 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -9.881 1.850 -1.261 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -12.556 2.482 1.208 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -13.507 0.284 2.179 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -8.962 -0.744 -0.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -12.771 -2.504 2.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -9.110 -3.163 0.061 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -11.008 -4.047 1.392 1.00 0.00 H new ATOM 751 N PHE A 47 -7.022 1.764 -0.953 1.00 0.00 N ATOM 752 CA PHE A 47 -5.879 2.031 -1.873 1.00 0.00 C ATOM 753 C PHE A 47 -5.785 0.941 -2.943 1.00 0.00 C ATOM 754 O PHE A 47 -6.386 -0.109 -2.829 1.00 0.00 O ATOM 755 CB PHE A 47 -4.638 1.992 -0.983 1.00 0.00 C ATOM 756 CG PHE A 47 -4.211 3.394 -0.643 1.00 0.00 C ATOM 757 CD1 PHE A 47 -3.383 4.103 -1.520 1.00 0.00 C ATOM 758 CD2 PHE A 47 -4.646 3.989 0.546 1.00 0.00 C ATOM 759 CE1 PHE A 47 -2.988 5.407 -1.206 1.00 0.00 C ATOM 760 CE2 PHE A 47 -4.249 5.293 0.861 1.00 0.00 C ATOM 761 CZ PHE A 47 -3.419 6.002 -0.015 1.00 0.00 C ATOM 0 H PHE A 47 -7.241 0.778 -0.810 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.990 2.983 -2.392 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.851 1.435 -0.070 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.829 1.469 -1.494 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.049 3.644 -2.439 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -5.288 3.442 1.220 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.350 5.955 -1.883 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -4.583 5.752 1.780 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.111 7.008 0.228 1.00 0.00 H new ATOM 771 N MET A 48 -5.014 1.180 -3.969 1.00 0.00 N ATOM 772 CA MET A 48 -4.846 0.164 -5.045 1.00 0.00 C ATOM 773 C MET A 48 -3.353 -0.038 -5.305 1.00 0.00 C ATOM 774 O MET A 48 -2.741 0.696 -6.056 1.00 0.00 O ATOM 775 CB MET A 48 -5.537 0.762 -6.275 1.00 0.00 C ATOM 776 CG MET A 48 -6.762 -0.080 -6.636 1.00 0.00 C ATOM 777 SD MET A 48 -7.093 0.066 -8.409 1.00 0.00 S ATOM 778 CE MET A 48 -8.816 0.606 -8.274 1.00 0.00 C ATOM 0 H MET A 48 -4.489 2.043 -4.108 1.00 0.00 H new ATOM 0 HA MET A 48 -5.272 -0.806 -4.787 1.00 0.00 H new ATOM 0 HB2 MET A 48 -5.837 1.790 -6.072 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.844 0.792 -7.115 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.590 -1.123 -6.372 1.00 0.00 H new ATOM 0 HG3 MET A 48 -7.628 0.255 -6.065 1.00 0.00 H new ATOM 0 HE1 MET A 48 -9.228 0.759 -9.271 1.00 0.00 H new ATOM 0 HE2 MET A 48 -9.397 -0.156 -7.755 1.00 0.00 H new ATOM 0 HE3 MET A 48 -8.862 1.541 -7.715 1.00 0.00 H new ATOM 788 N GLY A 49 -2.756 -1.016 -4.674 1.00 0.00 N ATOM 789 CA GLY A 49 -1.295 -1.242 -4.873 1.00 0.00 C ATOM 790 C GLY A 49 -1.023 -2.713 -5.174 1.00 0.00 C ATOM 791 O GLY A 49 -1.930 -3.518 -5.270 1.00 0.00 O ATOM 0 H GLY A 49 -3.214 -1.664 -4.033 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.933 -0.623 -5.694 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.748 -0.939 -3.980 1.00 0.00 H new ATOM 795 N GLN A 50 0.226 -3.069 -5.328 1.00 0.00 N ATOM 796 CA GLN A 50 0.565 -4.487 -5.627 1.00 0.00 C ATOM 797 C GLN A 50 2.013 -4.788 -5.229 1.00 0.00 C ATOM 798 O GLN A 50 2.826 -3.897 -5.082 1.00 0.00 O ATOM 799 CB GLN A 50 0.362 -4.630 -7.141 1.00 0.00 C ATOM 800 CG GLN A 50 1.508 -3.981 -7.909 1.00 0.00 C ATOM 801 CD GLN A 50 2.634 -4.996 -8.120 1.00 0.00 C ATOM 802 OE1 GLN A 50 3.738 -4.882 -7.433 1.00 0.00 O flip ATOM 803 NE2 GLN A 50 2.508 -5.904 -8.918 1.00 0.00 N flip ATOM 0 H GLN A 50 1.024 -2.437 -5.259 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.055 -5.189 -5.070 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.295 -5.686 -7.404 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.582 -4.168 -7.430 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.151 -3.615 -8.872 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.883 -3.118 -7.359 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.646 -5.995 -9.456 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.264 -6.576 -9.050 1.00 0.00 H new ATOM 812 N LEU A 51 2.342 -6.040 -5.062 1.00 0.00 N ATOM 813 CA LEU A 51 3.738 -6.406 -4.686 1.00 0.00 C ATOM 814 C LEU A 51 4.230 -7.546 -5.594 1.00 0.00 C ATOM 815 O LEU A 51 4.206 -7.419 -6.802 1.00 0.00 O ATOM 816 CB LEU A 51 3.687 -6.826 -3.209 1.00 0.00 C ATOM 817 CG LEU A 51 2.488 -7.742 -2.960 1.00 0.00 C ATOM 818 CD1 LEU A 51 2.745 -8.594 -1.714 1.00 0.00 C ATOM 819 CD2 LEU A 51 1.244 -6.880 -2.747 1.00 0.00 C ATOM 0 H LEU A 51 1.703 -6.827 -5.170 1.00 0.00 H new ATOM 0 HA LEU A 51 4.436 -5.579 -4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.609 -7.340 -2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.616 -5.942 -2.575 1.00 0.00 H new ATOM 0 HG LEU A 51 2.338 -8.399 -3.817 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.890 -9.247 -1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.639 -9.199 -1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.889 -7.943 -0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.382 -7.523 -2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.396 -6.229 -1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.066 -6.273 -3.634 1.00 0.00 H new ATOM 831 N ASN A 52 4.669 -8.653 -5.042 1.00 0.00 N ATOM 832 CA ASN A 52 5.157 -9.774 -5.904 1.00 0.00 C ATOM 833 C ASN A 52 4.105 -10.143 -6.958 1.00 0.00 C ATOM 834 O ASN A 52 3.275 -11.003 -6.745 1.00 0.00 O ATOM 835 CB ASN A 52 5.383 -10.944 -4.944 1.00 0.00 C ATOM 836 CG ASN A 52 6.652 -10.695 -4.125 1.00 0.00 C ATOM 837 OD1 ASN A 52 7.748 -10.774 -4.643 1.00 0.00 O ATOM 838 ND2 ASN A 52 6.549 -10.395 -2.860 1.00 0.00 N ATOM 0 H ASN A 52 4.710 -8.827 -4.038 1.00 0.00 H new ATOM 0 HA ASN A 52 6.064 -9.506 -6.446 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.525 -11.055 -4.281 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.475 -11.875 -5.504 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.389 -10.227 -2.306 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.629 -10.329 -2.425 1.00 0.00 H new ATOM 845 N GLY A 53 4.151 -9.499 -8.097 1.00 0.00 N ATOM 846 CA GLY A 53 3.174 -9.795 -9.189 1.00 0.00 C ATOM 847 C GLY A 53 1.745 -9.888 -8.638 1.00 0.00 C ATOM 848 O GLY A 53 0.906 -10.564 -9.201 1.00 0.00 O ATOM 0 H GLY A 53 4.832 -8.773 -8.319 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.225 -9.015 -9.948 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.441 -10.732 -9.677 1.00 0.00 H new ATOM 852 N LYS A 54 1.455 -9.228 -7.544 1.00 0.00 N ATOM 853 CA LYS A 54 0.074 -9.309 -6.982 1.00 0.00 C ATOM 854 C LYS A 54 -0.489 -7.916 -6.682 1.00 0.00 C ATOM 855 O LYS A 54 -0.011 -7.217 -5.811 1.00 0.00 O ATOM 856 CB LYS A 54 0.227 -10.107 -5.687 1.00 0.00 C ATOM 857 CG LYS A 54 -0.390 -11.496 -5.862 1.00 0.00 C ATOM 858 CD LYS A 54 0.276 -12.221 -7.034 1.00 0.00 C ATOM 859 CE LYS A 54 0.237 -13.733 -6.791 1.00 0.00 C ATOM 860 NZ LYS A 54 -0.822 -14.243 -7.706 1.00 0.00 N ATOM 0 H LYS A 54 2.107 -8.643 -7.022 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.618 -9.774 -7.684 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.282 -10.197 -5.426 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.261 -9.583 -4.865 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.266 -12.076 -4.947 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.462 -11.407 -6.040 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.238 -11.978 -7.964 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.308 -11.886 -7.143 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.201 -14.193 -7.008 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.003 -13.960 -5.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.908 -15.274 -7.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.730 -13.793 -7.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.569 -14.019 -8.689 1.00 0.00 H new ATOM 874 N GLU A 55 -1.513 -7.520 -7.391 1.00 0.00 N ATOM 875 CA GLU A 55 -2.133 -6.185 -7.149 1.00 0.00 C ATOM 876 C GLU A 55 -3.523 -6.353 -6.541 1.00 0.00 C ATOM 877 O GLU A 55 -4.191 -7.345 -6.760 1.00 0.00 O ATOM 878 CB GLU A 55 -2.221 -5.533 -8.531 1.00 0.00 C ATOM 879 CG GLU A 55 -2.848 -4.143 -8.406 1.00 0.00 C ATOM 880 CD GLU A 55 -2.469 -3.301 -9.625 1.00 0.00 C ATOM 881 OE1 GLU A 55 -1.286 -3.072 -9.818 1.00 0.00 O ATOM 882 OE2 GLU A 55 -3.368 -2.898 -10.345 1.00 0.00 O ATOM 0 H GLU A 55 -1.949 -8.068 -8.132 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.555 -5.579 -6.451 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.227 -5.456 -8.971 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.818 -6.153 -9.199 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.932 -4.227 -8.332 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.502 -3.657 -7.493 1.00 0.00 H new ATOM 889 N GLY A 56 -3.963 -5.392 -5.775 1.00 0.00 N ATOM 890 CA GLY A 56 -5.312 -5.504 -5.152 1.00 0.00 C ATOM 891 C GLY A 56 -5.656 -4.225 -4.385 1.00 0.00 C ATOM 892 O GLY A 56 -5.175 -3.151 -4.695 1.00 0.00 O ATOM 0 H GLY A 56 -3.450 -4.539 -5.555 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -6.061 -5.685 -5.923 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.337 -6.358 -4.476 1.00 0.00 H new ATOM 896 N SER A 57 -6.498 -4.338 -3.390 1.00 0.00 N ATOM 897 CA SER A 57 -6.900 -3.135 -2.607 1.00 0.00 C ATOM 898 C SER A 57 -6.704 -3.356 -1.103 1.00 0.00 C ATOM 899 O SER A 57 -6.539 -4.468 -0.640 1.00 0.00 O ATOM 900 CB SER A 57 -8.385 -2.958 -2.915 1.00 0.00 C ATOM 901 OG SER A 57 -8.547 -2.663 -4.296 1.00 0.00 O ATOM 0 H SER A 57 -6.924 -5.214 -3.087 1.00 0.00 H new ATOM 0 HA SER A 57 -6.301 -2.264 -2.872 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.932 -3.865 -2.659 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.800 -2.153 -2.308 1.00 0.00 H new ATOM 0 HG SER A 57 -9.500 -2.551 -4.497 1.00 0.00 H new ATOM 907 N PHE A 58 -6.742 -2.294 -0.342 1.00 0.00 N ATOM 908 CA PHE A 58 -6.581 -2.408 1.140 1.00 0.00 C ATOM 909 C PHE A 58 -6.842 -1.044 1.794 1.00 0.00 C ATOM 910 O PHE A 58 -6.616 -0.017 1.186 1.00 0.00 O ATOM 911 CB PHE A 58 -5.137 -2.867 1.391 1.00 0.00 C ATOM 912 CG PHE A 58 -4.205 -2.253 0.386 1.00 0.00 C ATOM 913 CD1 PHE A 58 -3.754 -0.942 0.560 1.00 0.00 C ATOM 914 CD2 PHE A 58 -3.788 -3.002 -0.717 1.00 0.00 C ATOM 915 CE1 PHE A 58 -2.884 -0.378 -0.373 1.00 0.00 C ATOM 916 CE2 PHE A 58 -2.919 -2.440 -1.650 1.00 0.00 C ATOM 917 CZ PHE A 58 -2.468 -1.129 -1.478 1.00 0.00 C ATOM 0 H PHE A 58 -6.879 -1.344 -0.686 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.288 -3.119 1.569 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.830 -2.586 2.399 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -5.080 -3.954 1.332 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.078 -0.367 1.415 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -4.139 -4.015 -0.846 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.533 0.635 -0.243 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.595 -3.016 -2.504 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.795 -0.693 -2.201 1.00 0.00 H new ATOM 927 N PRO A 59 -7.324 -1.076 3.013 1.00 0.00 N ATOM 928 CA PRO A 59 -7.629 0.182 3.741 1.00 0.00 C ATOM 929 C PRO A 59 -6.342 0.895 4.166 1.00 0.00 C ATOM 930 O PRO A 59 -5.280 0.306 4.219 1.00 0.00 O ATOM 931 CB PRO A 59 -8.424 -0.291 4.956 1.00 0.00 C ATOM 932 CG PRO A 59 -8.009 -1.711 5.167 1.00 0.00 C ATOM 933 CD PRO A 59 -7.623 -2.267 3.820 1.00 0.00 C ATOM 0 HA PRO A 59 -8.176 0.903 3.133 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.203 0.318 5.833 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -9.497 -0.217 4.778 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -7.171 -1.768 5.861 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -8.824 -2.289 5.603 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.758 -2.926 3.894 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -8.433 -2.852 3.383 1.00 0.00 H new ATOM 941 N VAL A 60 -6.433 2.166 4.462 1.00 0.00 N ATOM 942 CA VAL A 60 -5.219 2.933 4.879 1.00 0.00 C ATOM 943 C VAL A 60 -4.717 2.439 6.236 1.00 0.00 C ATOM 944 O VAL A 60 -3.537 2.224 6.427 1.00 0.00 O ATOM 945 CB VAL A 60 -5.681 4.389 4.976 1.00 0.00 C ATOM 946 CG1 VAL A 60 -4.503 5.274 5.391 1.00 0.00 C ATOM 947 CG2 VAL A 60 -6.201 4.847 3.613 1.00 0.00 C ATOM 0 H VAL A 60 -7.297 2.707 4.433 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.396 2.812 4.175 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.475 4.469 5.718 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.833 6.311 5.460 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.127 4.948 6.361 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.709 5.195 4.648 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.531 5.884 3.679 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.404 4.766 2.874 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.039 4.218 3.313 1.00 0.00 H new ATOM 957 N ASP A 61 -5.601 2.257 7.182 1.00 0.00 N ATOM 958 CA ASP A 61 -5.169 1.773 8.531 1.00 0.00 C ATOM 959 C ASP A 61 -4.284 0.531 8.387 1.00 0.00 C ATOM 960 O ASP A 61 -3.448 0.250 9.222 1.00 0.00 O ATOM 961 CB ASP A 61 -6.469 1.425 9.262 1.00 0.00 C ATOM 962 CG ASP A 61 -6.737 2.463 10.353 1.00 0.00 C ATOM 963 OD1 ASP A 61 -6.960 3.612 10.007 1.00 0.00 O ATOM 964 OD2 ASP A 61 -6.717 2.092 11.514 1.00 0.00 O ATOM 0 H ASP A 61 -6.603 2.422 7.081 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.585 2.518 9.071 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.300 1.401 8.557 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.396 0.430 9.702 1.00 0.00 H new ATOM 969 N HIS A 62 -4.469 -0.212 7.329 1.00 0.00 N ATOM 970 CA HIS A 62 -3.652 -1.438 7.114 1.00 0.00 C ATOM 971 C HIS A 62 -2.328 -1.104 6.423 1.00 0.00 C ATOM 972 O HIS A 62 -1.441 -1.932 6.348 1.00 0.00 O ATOM 973 CB HIS A 62 -4.505 -2.298 6.188 1.00 0.00 C ATOM 974 CG HIS A 62 -5.194 -3.370 6.974 1.00 0.00 C ATOM 975 ND1 HIS A 62 -5.419 -3.279 8.336 1.00 0.00 N ATOM 976 CD2 HIS A 62 -5.707 -4.572 6.589 1.00 0.00 C ATOM 977 CE1 HIS A 62 -6.044 -4.410 8.716 1.00 0.00 C ATOM 978 NE2 HIS A 62 -6.245 -5.232 7.687 1.00 0.00 N ATOM 0 H HIS A 62 -5.156 -0.020 6.600 1.00 0.00 H new ATOM 0 HA HIS A 62 -3.402 -1.929 8.054 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -5.243 -1.678 5.679 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.879 -2.747 5.416 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -5.160 -2.500 8.941 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -5.697 -4.955 5.579 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -6.345 -4.624 9.731 1.00 0.00 H new ATOM 986 N VAL A 63 -2.186 0.083 5.893 1.00 0.00 N ATOM 987 CA VAL A 63 -0.915 0.422 5.189 1.00 0.00 C ATOM 988 C VAL A 63 -0.536 1.891 5.395 1.00 0.00 C ATOM 989 O VAL A 63 -1.380 2.762 5.466 1.00 0.00 O ATOM 990 CB VAL A 63 -1.202 0.153 3.707 1.00 0.00 C ATOM 991 CG1 VAL A 63 -1.657 -1.296 3.521 1.00 0.00 C ATOM 992 CG2 VAL A 63 -2.309 1.095 3.217 1.00 0.00 C ATOM 0 H VAL A 63 -2.886 0.824 5.916 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.079 -0.166 5.569 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.292 0.325 3.132 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.859 -1.481 2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.872 -1.971 3.864 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.564 -1.470 4.100 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.511 0.902 2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.216 0.924 3.798 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.988 2.129 3.341 1.00 0.00 H new ATOM 1002 N GLU A 64 0.738 2.169 5.461 1.00 0.00 N ATOM 1003 CA GLU A 64 1.192 3.578 5.630 1.00 0.00 C ATOM 1004 C GLU A 64 1.487 4.174 4.253 1.00 0.00 C ATOM 1005 O GLU A 64 1.488 3.474 3.259 1.00 0.00 O ATOM 1006 CB GLU A 64 2.469 3.491 6.466 1.00 0.00 C ATOM 1007 CG GLU A 64 2.945 4.902 6.815 1.00 0.00 C ATOM 1008 CD GLU A 64 3.751 4.865 8.113 1.00 0.00 C ATOM 1009 OE1 GLU A 64 3.318 4.197 9.038 1.00 0.00 O ATOM 1010 OE2 GLU A 64 4.789 5.505 8.162 1.00 0.00 O ATOM 0 H GLU A 64 1.486 1.478 5.405 1.00 0.00 H new ATOM 0 HA GLU A 64 0.446 4.210 6.112 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.282 2.923 7.377 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.244 2.960 5.912 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.557 5.301 6.006 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.090 5.568 6.925 1.00 0.00 H new ATOM 1017 N ILE A 65 1.727 5.455 4.175 1.00 0.00 N ATOM 1018 CA ILE A 65 2.007 6.069 2.844 1.00 0.00 C ATOM 1019 C ILE A 65 3.402 6.695 2.821 1.00 0.00 C ATOM 1020 O ILE A 65 3.679 7.647 3.522 1.00 0.00 O ATOM 1021 CB ILE A 65 0.933 7.146 2.654 1.00 0.00 C ATOM 1022 CG1 ILE A 65 -0.433 6.631 3.138 1.00 0.00 C ATOM 1023 CG2 ILE A 65 0.839 7.507 1.170 1.00 0.00 C ATOM 1024 CD1 ILE A 65 -0.743 5.273 2.498 1.00 0.00 C ATOM 0 H ILE A 65 1.742 6.098 4.967 1.00 0.00 H new ATOM 0 HA ILE A 65 1.982 5.327 2.046 1.00 0.00 H new ATOM 0 HB ILE A 65 1.206 8.026 3.237 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.431 6.538 4.224 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.212 7.349 2.881 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.076 8.273 1.029 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.801 7.886 0.826 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.572 6.620 0.596 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.712 4.919 2.848 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.765 5.379 1.413 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.028 4.555 2.777 1.00 0.00 H new ATOM 1036 N LEU A 66 4.279 6.168 2.009 1.00 0.00 N ATOM 1037 CA LEU A 66 5.658 6.732 1.923 1.00 0.00 C ATOM 1038 C LEU A 66 5.711 7.796 0.825 1.00 0.00 C ATOM 1039 O LEU A 66 5.546 7.503 -0.345 1.00 0.00 O ATOM 1040 CB LEU A 66 6.551 5.543 1.569 1.00 0.00 C ATOM 1041 CG LEU A 66 6.485 4.503 2.688 1.00 0.00 C ATOM 1042 CD1 LEU A 66 7.096 3.186 2.202 1.00 0.00 C ATOM 1043 CD2 LEU A 66 7.268 5.011 3.900 1.00 0.00 C ATOM 0 H LEU A 66 4.100 5.370 1.400 1.00 0.00 H new ATOM 0 HA LEU A 66 5.975 7.210 2.850 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.228 5.100 0.627 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.579 5.876 1.428 1.00 0.00 H new ATOM 0 HG LEU A 66 5.445 4.337 2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.048 2.446 3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.539 2.824 1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.136 3.349 1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.222 4.271 4.699 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.308 5.177 3.618 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.833 5.948 4.248 1.00 0.00 H new ATOM 1055 N LEU A 67 5.932 9.029 1.193 1.00 0.00 N ATOM 1056 CA LEU A 67 5.985 10.118 0.173 1.00 0.00 C ATOM 1057 C LEU A 67 7.324 10.092 -0.570 1.00 0.00 C ATOM 1058 O LEU A 67 7.407 10.461 -1.725 1.00 0.00 O ATOM 1059 CB LEU A 67 5.838 11.417 0.969 1.00 0.00 C ATOM 1060 CG LEU A 67 4.793 12.312 0.301 1.00 0.00 C ATOM 1061 CD1 LEU A 67 4.070 13.139 1.366 1.00 0.00 C ATOM 1062 CD2 LEU A 67 5.486 13.253 -0.687 1.00 0.00 C ATOM 0 H LEU A 67 6.078 9.330 2.156 1.00 0.00 H new ATOM 0 HA LEU A 67 5.205 10.011 -0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.540 11.196 1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.796 11.935 1.020 1.00 0.00 H new ATOM 0 HG LEU A 67 4.071 11.691 -0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.326 13.776 0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.577 12.471 2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.792 13.759 1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.742 13.892 -1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.208 13.872 -0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 67 6.002 12.667 -1.447 1.00 0.00 H new ATOM 1074 N SER A 68 8.374 9.662 0.080 1.00 0.00 N ATOM 1075 CA SER A 68 9.704 9.621 -0.596 1.00 0.00 C ATOM 1076 C SER A 68 9.867 8.307 -1.364 1.00 0.00 C ATOM 1077 O SER A 68 10.059 8.297 -2.564 1.00 0.00 O ATOM 1078 CB SER A 68 10.728 9.703 0.536 1.00 0.00 C ATOM 1079 OG SER A 68 11.778 10.583 0.156 1.00 0.00 O ATOM 0 H SER A 68 8.368 9.338 1.047 1.00 0.00 H new ATOM 0 HA SER A 68 9.823 10.430 -1.316 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.251 10.060 1.449 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.128 8.713 0.752 1.00 0.00 H new ATOM 0 HG SER A 68 12.436 10.639 0.880 1.00 0.00 H new ATOM 1085 N ASP A 69 9.791 7.198 -0.677 1.00 0.00 N ATOM 1086 CA ASP A 69 9.939 5.874 -1.358 1.00 0.00 C ATOM 1087 C ASP A 69 9.801 4.739 -0.332 1.00 0.00 C ATOM 1088 O ASP A 69 8.713 4.264 -0.072 1.00 0.00 O ATOM 1089 CB ASP A 69 11.339 5.875 -2.001 1.00 0.00 C ATOM 1090 CG ASP A 69 12.328 6.669 -1.138 1.00 0.00 C ATOM 1091 OD1 ASP A 69 12.828 6.108 -0.176 1.00 0.00 O ATOM 1092 OD2 ASP A 69 12.568 7.822 -1.457 1.00 0.00 O ATOM 0 H ASP A 69 9.632 7.150 0.329 1.00 0.00 H new ATOM 0 HA ASP A 69 9.169 5.717 -2.113 1.00 0.00 H new ATOM 0 HB2 ASP A 69 11.692 4.850 -2.119 1.00 0.00 H new ATOM 0 HB3 ASP A 69 11.287 6.311 -2.999 1.00 0.00 H new ATOM 1097 N VAL A 70 10.888 4.303 0.259 1.00 0.00 N ATOM 1098 CA VAL A 70 10.808 3.204 1.269 1.00 0.00 C ATOM 1099 C VAL A 70 12.201 2.929 1.861 1.00 0.00 C ATOM 1100 O VAL A 70 13.084 2.471 1.164 1.00 0.00 O ATOM 1101 CB VAL A 70 10.307 1.981 0.485 1.00 0.00 C ATOM 1102 CG1 VAL A 70 11.250 1.688 -0.685 1.00 0.00 C ATOM 1103 CG2 VAL A 70 10.260 0.761 1.407 1.00 0.00 C ATOM 0 H VAL A 70 11.827 4.662 0.084 1.00 0.00 H new ATOM 0 HA VAL A 70 10.150 3.453 2.102 1.00 0.00 H new ATOM 0 HB VAL A 70 9.308 2.192 0.103 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.888 0.820 -1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 70 11.284 2.551 -1.350 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.251 1.484 -0.304 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.904 -0.104 0.848 1.00 0.00 H new ATOM 0 HG22 VAL A 70 11.259 0.558 1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.583 0.959 2.238 1.00 0.00 H new ATOM 1113 N PRO A 71 12.355 3.213 3.135 1.00 0.00 N ATOM 1114 CA PRO A 71 13.658 2.977 3.804 1.00 0.00 C ATOM 1115 C PRO A 71 13.994 1.482 4.039 1.00 0.00 C ATOM 1116 O PRO A 71 15.152 1.116 3.983 1.00 0.00 O ATOM 1117 CB PRO A 71 13.542 3.756 5.113 1.00 0.00 C ATOM 1118 CG PRO A 71 12.075 3.880 5.382 1.00 0.00 C ATOM 1119 CD PRO A 71 11.359 3.794 4.053 1.00 0.00 C ATOM 0 HA PRO A 71 14.486 3.309 3.178 1.00 0.00 H new ATOM 0 HB2 PRO A 71 14.046 3.233 5.926 1.00 0.00 H new ATOM 0 HB3 PRO A 71 14.009 4.737 5.027 1.00 0.00 H new ATOM 0 HG2 PRO A 71 11.740 3.087 6.050 1.00 0.00 H new ATOM 0 HG3 PRO A 71 11.855 4.827 5.875 1.00 0.00 H new ATOM 0 HD2 PRO A 71 10.469 3.168 4.121 1.00 0.00 H new ATOM 0 HD3 PRO A 71 11.032 4.777 3.714 1.00 0.00 H new ATOM 1127 N PRO A 72 13.005 0.663 4.293 1.00 0.00 N ATOM 1128 CA PRO A 72 13.265 -0.782 4.530 1.00 0.00 C ATOM 1129 C PRO A 72 13.585 -1.494 3.209 1.00 0.00 C ATOM 1130 O PRO A 72 13.242 -1.010 2.148 1.00 0.00 O ATOM 1131 CB PRO A 72 11.949 -1.294 5.106 1.00 0.00 C ATOM 1132 CG PRO A 72 10.913 -0.349 4.591 1.00 0.00 C ATOM 1133 CD PRO A 72 11.588 0.982 4.388 1.00 0.00 C ATOM 0 HA PRO A 72 14.115 -0.958 5.189 1.00 0.00 H new ATOM 0 HB2 PRO A 72 11.747 -2.316 4.784 1.00 0.00 H new ATOM 0 HB3 PRO A 72 11.971 -1.302 6.196 1.00 0.00 H new ATOM 0 HG2 PRO A 72 10.491 -0.713 3.654 1.00 0.00 H new ATOM 0 HG3 PRO A 72 10.089 -0.259 5.298 1.00 0.00 H new ATOM 0 HD2 PRO A 72 11.231 1.474 3.483 1.00 0.00 H new ATOM 0 HD3 PRO A 72 11.389 1.659 5.219 1.00 0.00 H new ATOM 1141 N PRO A 73 14.230 -2.628 3.318 1.00 0.00 N ATOM 1142 CA PRO A 73 14.590 -3.415 2.112 1.00 0.00 C ATOM 1143 C PRO A 73 13.347 -4.107 1.542 1.00 0.00 C ATOM 1144 O PRO A 73 12.719 -4.913 2.200 1.00 0.00 O ATOM 1145 CB PRO A 73 15.588 -4.441 2.640 1.00 0.00 C ATOM 1146 CG PRO A 73 15.266 -4.588 4.093 1.00 0.00 C ATOM 1147 CD PRO A 73 14.682 -3.278 4.556 1.00 0.00 C ATOM 0 HA PRO A 73 14.999 -2.806 1.306 1.00 0.00 H new ATOM 0 HB2 PRO A 73 15.490 -5.392 2.117 1.00 0.00 H new ATOM 0 HB3 PRO A 73 16.614 -4.103 2.496 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.558 -5.401 4.249 1.00 0.00 H new ATOM 0 HG3 PRO A 73 16.163 -4.832 4.663 1.00 0.00 H new ATOM 0 HD2 PRO A 73 13.855 -3.433 5.249 1.00 0.00 H new ATOM 0 HD3 PRO A 73 15.424 -2.672 5.076 1.00 0.00 H new ATOM 1155 N GLN A 74 12.989 -3.799 0.324 1.00 0.00 N ATOM 1156 CA GLN A 74 11.787 -4.439 -0.288 1.00 0.00 C ATOM 1157 C GLN A 74 11.974 -5.961 -0.360 1.00 0.00 C ATOM 1158 O GLN A 74 12.817 -6.441 -1.092 1.00 0.00 O ATOM 1159 CB GLN A 74 11.694 -3.846 -1.694 1.00 0.00 C ATOM 1160 CG GLN A 74 10.223 -3.652 -2.074 1.00 0.00 C ATOM 1161 CD GLN A 74 9.994 -4.135 -3.508 1.00 0.00 C ATOM 1162 OE1 GLN A 74 10.413 -3.494 -4.452 1.00 0.00 O ATOM 1163 NE2 GLN A 74 9.341 -5.246 -3.712 1.00 0.00 N ATOM 0 H GLN A 74 13.477 -3.132 -0.274 1.00 0.00 H new ATOM 0 HA GLN A 74 10.883 -4.256 0.293 1.00 0.00 H new ATOM 0 HB2 GLN A 74 12.219 -2.891 -1.732 1.00 0.00 H new ATOM 0 HB3 GLN A 74 12.181 -4.507 -2.411 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.584 -4.206 -1.387 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.950 -2.600 -1.986 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.989 -5.784 -2.920 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.182 -5.577 -4.664 1.00 0.00 H new