USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 774 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 77 HIS : no HE2:sc= 0.0229 K(o=0.07,f=-0.81) USER MOD Set 1.2: B 159 THR OG1 : rot 130:sc= 0.0468 USER MOD Set 2.1: A 18 THR OG1 : rot 27:sc= -0.401 USER MOD Set 2.2: A 57 LYS NZ :NH3+ -168:sc= 0.886 (180deg=-0.701) USER MOD Single : A 5 THR OG1 : rot -51:sc= 0.175 USER MOD Single : A 7 ASN : amide:sc= 0.447 K(o=0.45,f=-0.1) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HD1:sc= -0.316 X(o=-0.32,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 161:sc= -0.0192 (180deg=-0.266) USER MOD Single : A 22 LYS NZ :NH3+ 167:sc= -0.357 (180deg=-0.781) USER MOD Single : A 23 SER OG : rot 79:sc= 1.23 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 85:sc= -2.22! USER MOD Single : A 42 GLN : amide:sc= -0.026 X(o=-0.026,f=-0.23) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 2:sc= 0.825 USER MOD Single : A 58 MET CE :methyl 169:sc= -3.26! (180deg=-3.68!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 66 SER OG : rot -126:sc= 1.13 USER MOD Single : A 68 ASN : amide:sc= -1.93! C(o=-1.9!,f=-7.3!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 CYS SG : rot 180:sc= -1.58 USER MOD Single : A 75 HIS : no HE2:sc= -0.627 K(o=-0.63,f=-1.9) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.159 K(o=-0.16,f=-0.72) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.577 X(o=-0.58,f=-0.32) USER MOD Single : A 86 SER OG : rot 73:sc= 1.21 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot -86:sc= 1.19 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : B 160 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD ----------------------------------------------------------------- ATOM 120 N THR A 5 111.157 12.696 -5.249 1.00 0.00 N ATOM 121 CA THR A 5 110.166 13.630 -4.821 1.00 0.00 C ATOM 122 C THR A 5 109.198 12.929 -3.842 1.00 0.00 C ATOM 123 O THR A 5 107.991 13.183 -3.833 1.00 0.00 O ATOM 124 CB THR A 5 109.451 14.331 -6.024 1.00 0.00 C ATOM 125 OG1 THR A 5 108.605 15.409 -5.580 1.00 0.00 O ATOM 126 CG2 THR A 5 108.656 13.356 -6.886 1.00 0.00 C ATOM 0 HA THR A 5 110.647 14.447 -4.283 1.00 0.00 H new ATOM 0 HB THR A 5 110.245 14.744 -6.647 1.00 0.00 H new ATOM 0 HG1 THR A 5 108.015 15.089 -4.866 1.00 0.00 H new ATOM 0 HG21 THR A 5 108.182 13.897 -7.705 1.00 0.00 H new ATOM 0 HG22 THR A 5 109.327 12.599 -7.292 1.00 0.00 H new ATOM 0 HG23 THR A 5 107.890 12.874 -6.278 1.00 0.00 H new ATOM 134 N ARG A 6 109.791 12.000 -3.017 1.00 0.00 N ATOM 135 CA ARG A 6 109.135 11.226 -1.907 1.00 0.00 C ATOM 136 C ARG A 6 107.849 10.536 -2.323 1.00 0.00 C ATOM 137 O ARG A 6 106.925 10.299 -1.536 1.00 0.00 O ATOM 138 CB ARG A 6 108.926 12.110 -0.720 1.00 0.00 C ATOM 139 CG ARG A 6 107.871 13.173 -0.863 1.00 0.00 C ATOM 140 CD ARG A 6 107.849 13.945 0.364 1.00 0.00 C ATOM 141 NE ARG A 6 106.765 14.936 0.417 1.00 0.00 N ATOM 142 CZ ARG A 6 106.277 15.481 1.545 1.00 0.00 C ATOM 143 NH1 ARG A 6 106.809 15.183 2.720 1.00 0.00 N ATOM 144 NH2 ARG A 6 105.273 16.335 1.483 1.00 0.00 N ATOM 0 H ARG A 6 110.778 11.763 -3.113 1.00 0.00 H new ATOM 0 HA ARG A 6 109.817 10.420 -1.637 1.00 0.00 H new ATOM 0 HB2 ARG A 6 108.668 11.483 0.133 1.00 0.00 H new ATOM 0 HB3 ARG A 6 109.873 12.596 -0.483 1.00 0.00 H new ATOM 0 HG2 ARG A 6 108.090 13.816 -1.715 1.00 0.00 H new ATOM 0 HG3 ARG A 6 106.896 12.721 -1.047 1.00 0.00 H new ATOM 0 HD2 ARG A 6 107.749 13.265 1.210 1.00 0.00 H new ATOM 0 HD3 ARG A 6 108.804 14.457 0.478 1.00 0.00 H new ATOM 0 HE ARG A 6 106.352 15.232 -0.468 1.00 0.00 H new ATOM 0 HH11 ARG A 6 107.595 14.535 2.774 1.00 0.00 H new ATOM 0 HH12 ARG A 6 106.433 15.601 3.571 1.00 0.00 H new ATOM 0 HH21 ARG A 6 104.868 16.581 0.580 1.00 0.00 H new ATOM 0 HH22 ARG A 6 104.902 16.749 2.338 1.00 0.00 H new ATOM 158 N ASN A 7 107.802 10.262 -3.527 1.00 0.00 N ATOM 159 CA ASN A 7 106.686 9.565 -4.135 1.00 0.00 C ATOM 160 C ASN A 7 106.954 8.092 -4.434 1.00 0.00 C ATOM 161 O ASN A 7 107.766 7.735 -5.287 1.00 0.00 O ATOM 162 CB ASN A 7 106.227 10.253 -5.419 1.00 0.00 C ATOM 163 CG ASN A 7 105.147 11.281 -5.189 1.00 0.00 C ATOM 164 OD1 ASN A 7 103.961 10.971 -5.228 1.00 0.00 O ATOM 165 ND2 ASN A 7 105.532 12.483 -4.943 1.00 0.00 N ATOM 0 H ASN A 7 108.543 10.504 -4.185 1.00 0.00 H new ATOM 0 HA ASN A 7 105.899 9.606 -3.382 1.00 0.00 H new ATOM 0 HB2 ASN A 7 107.083 10.734 -5.892 1.00 0.00 H new ATOM 0 HB3 ASN A 7 105.860 9.500 -6.116 1.00 0.00 H new ATOM 0 HD21 ASN A 7 104.842 13.215 -4.772 1.00 0.00 H new ATOM 0 HD22 ASN A 7 106.527 12.705 -4.918 1.00 0.00 H new ATOM 172 N PRO A 8 106.232 7.179 -3.752 1.00 0.00 N ATOM 173 CA PRO A 8 106.236 5.767 -4.125 1.00 0.00 C ATOM 174 C PRO A 8 105.831 5.637 -5.542 1.00 0.00 C ATOM 175 O PRO A 8 106.247 4.752 -6.259 1.00 0.00 O ATOM 176 CB PRO A 8 105.073 5.196 -3.387 1.00 0.00 C ATOM 177 CG PRO A 8 104.588 6.200 -2.410 1.00 0.00 C ATOM 178 CD PRO A 8 105.438 7.418 -2.529 1.00 0.00 C ATOM 0 HA PRO A 8 107.207 5.311 -3.934 1.00 0.00 H new ATOM 0 HB2 PRO A 8 104.277 4.932 -4.083 1.00 0.00 H new ATOM 0 HB3 PRO A 8 105.365 4.280 -2.874 1.00 0.00 H new ATOM 0 HG2 PRO A 8 103.544 6.445 -2.604 1.00 0.00 H new ATOM 0 HG3 PRO A 8 104.638 5.799 -1.397 1.00 0.00 H new ATOM 0 HD2 PRO A 8 104.833 8.321 -2.615 1.00 0.00 H new ATOM 0 HD3 PRO A 8 106.078 7.546 -1.656 1.00 0.00 H new ATOM 186 N SER A 9 104.959 6.527 -5.894 1.00 0.00 N ATOM 187 CA SER A 9 104.386 6.577 -7.139 1.00 0.00 C ATOM 188 C SER A 9 105.437 6.917 -8.244 1.00 0.00 C ATOM 189 O SER A 9 105.268 6.524 -9.407 1.00 0.00 O ATOM 190 CB SER A 9 103.241 7.575 -7.103 1.00 0.00 C ATOM 191 OG SER A 9 102.514 7.598 -8.325 1.00 0.00 O ATOM 0 H SER A 9 104.632 7.262 -5.266 1.00 0.00 H new ATOM 0 HA SER A 9 103.991 5.595 -7.402 1.00 0.00 H new ATOM 0 HB2 SER A 9 102.566 7.323 -6.285 1.00 0.00 H new ATOM 0 HB3 SER A 9 103.634 8.570 -6.897 1.00 0.00 H new ATOM 0 HG SER A 9 101.786 8.251 -8.260 1.00 0.00 H new ATOM 197 N GLU A 10 106.530 7.631 -7.878 1.00 0.00 N ATOM 198 CA GLU A 10 107.562 7.971 -8.859 1.00 0.00 C ATOM 199 C GLU A 10 108.409 6.746 -9.086 1.00 0.00 C ATOM 200 O GLU A 10 108.936 6.522 -10.192 1.00 0.00 O ATOM 201 CB GLU A 10 108.435 9.170 -8.423 1.00 0.00 C ATOM 202 CG GLU A 10 109.419 8.884 -7.302 1.00 0.00 C ATOM 203 CD GLU A 10 110.053 10.109 -6.770 1.00 0.00 C ATOM 204 OE1 GLU A 10 110.702 10.831 -7.549 1.00 0.00 O ATOM 205 OE2 GLU A 10 109.876 10.402 -5.556 1.00 0.00 O ATOM 0 H GLU A 10 106.708 7.970 -6.933 1.00 0.00 H new ATOM 0 HA GLU A 10 107.075 8.282 -9.783 1.00 0.00 H new ATOM 0 HB2 GLU A 10 108.991 9.527 -9.290 1.00 0.00 H new ATOM 0 HB3 GLU A 10 107.778 9.981 -8.109 1.00 0.00 H new ATOM 0 HG2 GLU A 10 108.902 8.368 -6.493 1.00 0.00 H new ATOM 0 HG3 GLU A 10 110.193 8.209 -7.667 1.00 0.00 H new ATOM 212 N LEU A 11 108.541 5.952 -8.026 1.00 0.00 N ATOM 213 CA LEU A 11 109.192 4.676 -8.111 1.00 0.00 C ATOM 214 C LEU A 11 108.426 3.789 -9.061 1.00 0.00 C ATOM 215 O LEU A 11 107.195 3.735 -9.048 1.00 0.00 O ATOM 216 CB LEU A 11 109.331 4.043 -6.735 1.00 0.00 C ATOM 217 CG LEU A 11 110.316 4.734 -5.793 1.00 0.00 C ATOM 218 CD1 LEU A 11 110.220 4.139 -4.417 1.00 0.00 C ATOM 219 CD2 LEU A 11 111.739 4.585 -6.315 1.00 0.00 C ATOM 0 H LEU A 11 108.197 6.186 -7.095 1.00 0.00 H new ATOM 0 HA LEU A 11 110.202 4.809 -8.499 1.00 0.00 H new ATOM 0 HB2 LEU A 11 108.350 4.027 -6.260 1.00 0.00 H new ATOM 0 HB3 LEU A 11 109.641 3.006 -6.860 1.00 0.00 H new ATOM 0 HG LEU A 11 110.063 5.793 -5.745 1.00 0.00 H new ATOM 0 HD11 LEU A 11 110.926 4.639 -3.754 1.00 0.00 H new ATOM 0 HD12 LEU A 11 109.208 4.270 -4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 11 110.456 3.076 -4.463 1.00 0.00 H new ATOM 0 HD21 LEU A 11 112.430 5.082 -5.634 1.00 0.00 H new ATOM 0 HD22 LEU A 11 111.993 3.527 -6.382 1.00 0.00 H new ATOM 0 HD23 LEU A 11 111.814 5.039 -7.303 1.00 0.00 H new ATOM 231 N LYS A 12 109.165 3.161 -9.909 1.00 0.00 N ATOM 232 CA LYS A 12 108.625 2.352 -10.981 1.00 0.00 C ATOM 233 C LYS A 12 108.250 0.954 -10.524 1.00 0.00 C ATOM 234 O LYS A 12 108.456 0.582 -9.375 1.00 0.00 O ATOM 235 CB LYS A 12 109.630 2.229 -12.101 1.00 0.00 C ATOM 236 CG LYS A 12 110.901 1.558 -11.652 1.00 0.00 C ATOM 237 CD LYS A 12 111.676 1.006 -12.816 1.00 0.00 C ATOM 238 CE LYS A 12 111.010 -0.206 -13.456 1.00 0.00 C ATOM 239 NZ LYS A 12 111.773 -0.690 -14.620 1.00 0.00 N ATOM 0 H LYS A 12 110.184 3.187 -9.888 1.00 0.00 H new ATOM 0 HA LYS A 12 107.722 2.858 -11.323 1.00 0.00 H new ATOM 0 HB2 LYS A 12 109.191 1.660 -12.921 1.00 0.00 H new ATOM 0 HB3 LYS A 12 109.862 3.221 -12.489 1.00 0.00 H new ATOM 0 HG2 LYS A 12 111.519 2.273 -11.109 1.00 0.00 H new ATOM 0 HG3 LYS A 12 110.662 0.752 -10.958 1.00 0.00 H new ATOM 0 HD2 LYS A 12 111.796 1.786 -13.568 1.00 0.00 H new ATOM 0 HD3 LYS A 12 112.676 0.729 -12.481 1.00 0.00 H new ATOM 0 HE2 LYS A 12 110.922 -1.005 -12.720 1.00 0.00 H new ATOM 0 HE3 LYS A 12 109.998 0.055 -13.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 111.292 -1.515 -15.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 111.836 0.065 -15.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 112.731 -0.962 -14.319 1.00 0.00 H new ATOM 253 N GLY A 13 107.804 0.171 -11.476 1.00 0.00 N ATOM 254 CA GLY A 13 107.378 -1.178 -11.205 1.00 0.00 C ATOM 255 C GLY A 13 105.933 -1.275 -10.735 1.00 0.00 C ATOM 256 O GLY A 13 104.998 -1.039 -11.511 1.00 0.00 O ATOM 0 H GLY A 13 107.727 0.450 -12.454 1.00 0.00 H new ATOM 0 HA2 GLY A 13 107.499 -1.777 -12.107 1.00 0.00 H new ATOM 0 HA3 GLY A 13 108.029 -1.611 -10.445 1.00 0.00 H new ATOM 260 N LYS A 14 105.761 -1.659 -9.493 1.00 0.00 N ATOM 261 CA LYS A 14 104.454 -1.845 -8.869 1.00 0.00 C ATOM 262 C LYS A 14 104.535 -1.473 -7.397 1.00 0.00 C ATOM 263 O LYS A 14 105.556 -1.670 -6.769 1.00 0.00 O ATOM 264 CB LYS A 14 104.014 -3.299 -9.040 1.00 0.00 C ATOM 265 CG LYS A 14 105.038 -4.286 -8.533 1.00 0.00 C ATOM 266 CD LYS A 14 105.306 -5.396 -9.526 1.00 0.00 C ATOM 267 CE LYS A 14 104.107 -6.310 -9.726 1.00 0.00 C ATOM 268 NZ LYS A 14 104.408 -7.414 -10.661 1.00 0.00 N ATOM 0 H LYS A 14 106.539 -1.858 -8.865 1.00 0.00 H new ATOM 0 HA LYS A 14 103.718 -1.199 -9.347 1.00 0.00 H new ATOM 0 HB2 LYS A 14 103.074 -3.454 -8.510 1.00 0.00 H new ATOM 0 HB3 LYS A 14 103.821 -3.493 -10.095 1.00 0.00 H new ATOM 0 HG2 LYS A 14 105.969 -3.762 -8.317 1.00 0.00 H new ATOM 0 HG3 LYS A 14 104.690 -4.717 -7.594 1.00 0.00 H new ATOM 0 HD2 LYS A 14 105.588 -4.960 -10.484 1.00 0.00 H new ATOM 0 HD3 LYS A 14 106.155 -5.987 -9.183 1.00 0.00 H new ATOM 0 HE2 LYS A 14 103.799 -6.722 -8.765 1.00 0.00 H new ATOM 0 HE3 LYS A 14 103.267 -5.729 -10.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 103.566 -8.015 -10.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 104.677 -7.022 -11.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 105.193 -7.983 -10.285 1.00 0.00 H new ATOM 282 N PHE A 15 103.463 -0.993 -6.863 1.00 0.00 N ATOM 283 CA PHE A 15 103.419 -0.469 -5.535 1.00 0.00 C ATOM 284 C PHE A 15 102.525 -1.352 -4.683 1.00 0.00 C ATOM 285 O PHE A 15 101.320 -1.473 -4.939 1.00 0.00 O ATOM 286 CB PHE A 15 102.866 0.943 -5.645 1.00 0.00 C ATOM 287 CG PHE A 15 102.770 1.766 -4.388 1.00 0.00 C ATOM 288 CD1 PHE A 15 103.460 1.433 -3.234 1.00 0.00 C ATOM 289 CD2 PHE A 15 102.005 2.911 -4.396 1.00 0.00 C ATOM 290 CE1 PHE A 15 103.384 2.236 -2.108 1.00 0.00 C ATOM 291 CE2 PHE A 15 101.912 3.717 -3.284 1.00 0.00 C ATOM 292 CZ PHE A 15 102.603 3.385 -2.135 1.00 0.00 C ATOM 0 H PHE A 15 102.567 -0.952 -7.349 1.00 0.00 H new ATOM 0 HA PHE A 15 104.402 -0.448 -5.065 1.00 0.00 H new ATOM 0 HB2 PHE A 15 103.486 1.490 -6.355 1.00 0.00 H new ATOM 0 HB3 PHE A 15 101.868 0.878 -6.078 1.00 0.00 H new ATOM 0 HD1 PHE A 15 104.064 0.538 -3.212 1.00 0.00 H new ATOM 0 HD2 PHE A 15 101.467 3.182 -5.293 1.00 0.00 H new ATOM 0 HE1 PHE A 15 103.929 1.971 -1.214 1.00 0.00 H new ATOM 0 HE2 PHE A 15 101.300 4.607 -3.310 1.00 0.00 H new ATOM 0 HZ PHE A 15 102.537 4.016 -1.261 1.00 0.00 H new ATOM 302 N ILE A 16 103.108 -1.968 -3.698 1.00 0.00 N ATOM 303 CA ILE A 16 102.406 -2.872 -2.832 1.00 0.00 C ATOM 304 C ILE A 16 102.665 -2.577 -1.396 1.00 0.00 C ATOM 305 O ILE A 16 103.696 -2.020 -1.033 1.00 0.00 O ATOM 306 CB ILE A 16 102.690 -4.383 -3.087 1.00 0.00 C ATOM 307 CG1 ILE A 16 104.205 -4.736 -3.162 1.00 0.00 C ATOM 308 CG2 ILE A 16 101.921 -4.887 -4.281 1.00 0.00 C ATOM 309 CD1 ILE A 16 104.922 -4.304 -4.448 1.00 0.00 C ATOM 0 H ILE A 16 104.096 -1.857 -3.469 1.00 0.00 H new ATOM 0 HA ILE A 16 101.358 -2.697 -3.077 1.00 0.00 H new ATOM 0 HB ILE A 16 102.326 -4.914 -2.207 1.00 0.00 H new ATOM 0 HG12 ILE A 16 104.710 -4.275 -2.313 1.00 0.00 H new ATOM 0 HG13 ILE A 16 104.315 -5.815 -3.051 1.00 0.00 H new ATOM 0 HG21 ILE A 16 102.139 -5.944 -4.435 1.00 0.00 H new ATOM 0 HG22 ILE A 16 100.853 -4.758 -4.106 1.00 0.00 H new ATOM 0 HG23 ILE A 16 102.214 -4.324 -5.167 1.00 0.00 H new ATOM 0 HD11 ILE A 16 105.970 -4.598 -4.396 1.00 0.00 H new ATOM 0 HD12 ILE A 16 104.452 -4.785 -5.306 1.00 0.00 H new ATOM 0 HD13 ILE A 16 104.854 -3.222 -4.557 1.00 0.00 H new ATOM 321 N HIS A 17 101.722 -2.916 -0.585 1.00 0.00 N ATOM 322 CA HIS A 17 101.863 -2.762 0.820 1.00 0.00 C ATOM 323 C HIS A 17 101.543 -4.082 1.497 1.00 0.00 C ATOM 324 O HIS A 17 100.422 -4.580 1.439 1.00 0.00 O ATOM 325 CB HIS A 17 101.040 -1.554 1.356 1.00 0.00 C ATOM 326 CG HIS A 17 99.531 -1.625 1.246 1.00 0.00 C ATOM 327 ND1 HIS A 17 98.677 -0.929 2.069 1.00 0.00 N ATOM 328 CD2 HIS A 17 98.742 -2.297 0.382 1.00 0.00 C ATOM 329 CE1 HIS A 17 97.425 -1.194 1.696 1.00 0.00 C ATOM 330 NE2 HIS A 17 97.405 -2.026 0.668 1.00 0.00 N ATOM 0 H HIS A 17 100.828 -3.309 -0.880 1.00 0.00 H new ATOM 0 HA HIS A 17 102.896 -2.513 1.065 1.00 0.00 H new ATOM 0 HB2 HIS A 17 101.293 -1.416 2.407 1.00 0.00 H new ATOM 0 HB3 HIS A 17 101.373 -0.661 0.828 1.00 0.00 H new ATOM 0 HD2 HIS A 17 99.092 -2.944 -0.408 1.00 0.00 H new ATOM 0 HE1 HIS A 17 96.545 -0.784 2.170 1.00 0.00 H new ATOM 0 HE2 HIS A 17 96.584 -2.392 0.186 1.00 0.00 H new ATOM 338 N THR A 18 102.535 -4.685 2.036 1.00 0.00 N ATOM 339 CA THR A 18 102.368 -5.961 2.661 1.00 0.00 C ATOM 340 C THR A 18 102.983 -5.936 4.072 1.00 0.00 C ATOM 341 O THR A 18 103.991 -5.290 4.309 1.00 0.00 O ATOM 342 CB THR A 18 102.990 -7.086 1.760 1.00 0.00 C ATOM 343 OG1 THR A 18 102.578 -8.392 2.197 1.00 0.00 O ATOM 344 CG2 THR A 18 104.519 -7.016 1.718 1.00 0.00 C ATOM 0 H THR A 18 103.486 -4.318 2.062 1.00 0.00 H new ATOM 0 HA THR A 18 101.307 -6.184 2.771 1.00 0.00 H new ATOM 0 HB THR A 18 102.615 -6.913 0.751 1.00 0.00 H new ATOM 0 HG1 THR A 18 101.710 -8.327 2.648 1.00 0.00 H new ATOM 0 HG21 THR A 18 104.902 -7.814 1.082 1.00 0.00 H new ATOM 0 HG22 THR A 18 104.828 -6.051 1.315 1.00 0.00 H new ATOM 0 HG23 THR A 18 104.916 -7.133 2.726 1.00 0.00 H new ATOM 352 N LYS A 19 102.338 -6.602 4.990 1.00 0.00 N ATOM 353 CA LYS A 19 102.767 -6.657 6.374 1.00 0.00 C ATOM 354 C LYS A 19 103.992 -7.547 6.519 1.00 0.00 C ATOM 355 O LYS A 19 104.037 -8.645 5.963 1.00 0.00 O ATOM 356 CB LYS A 19 101.566 -7.159 7.244 1.00 0.00 C ATOM 357 CG LYS A 19 101.764 -7.361 8.779 1.00 0.00 C ATOM 358 CD LYS A 19 102.611 -8.602 9.118 1.00 0.00 C ATOM 359 CE LYS A 19 102.380 -9.097 10.534 1.00 0.00 C ATOM 360 NZ LYS A 19 101.014 -9.639 10.721 1.00 0.00 N ATOM 0 H LYS A 19 101.487 -7.132 4.802 1.00 0.00 H new ATOM 0 HA LYS A 19 103.061 -5.666 6.720 1.00 0.00 H new ATOM 0 HB2 LYS A 19 100.747 -6.452 7.110 1.00 0.00 H new ATOM 0 HB3 LYS A 19 101.237 -8.111 6.828 1.00 0.00 H new ATOM 0 HG2 LYS A 19 102.243 -6.476 9.198 1.00 0.00 H new ATOM 0 HG3 LYS A 19 100.789 -7.452 9.257 1.00 0.00 H new ATOM 0 HD2 LYS A 19 102.376 -9.401 8.415 1.00 0.00 H new ATOM 0 HD3 LYS A 19 103.667 -8.363 8.988 1.00 0.00 H new ATOM 0 HE2 LYS A 19 103.111 -9.870 10.771 1.00 0.00 H new ATOM 0 HE3 LYS A 19 102.543 -8.278 11.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 100.993 -10.244 11.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 100.342 -8.854 10.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 100.746 -10.200 9.887 1.00 0.00 H new ATOM 374 N LEU A 20 104.980 -7.074 7.248 1.00 0.00 N ATOM 375 CA LEU A 20 106.116 -7.880 7.552 1.00 0.00 C ATOM 376 C LEU A 20 106.199 -8.021 9.027 1.00 0.00 C ATOM 377 O LEU A 20 106.089 -7.028 9.777 1.00 0.00 O ATOM 378 CB LEU A 20 107.436 -7.357 6.961 1.00 0.00 C ATOM 379 CG LEU A 20 108.159 -8.345 6.030 1.00 0.00 C ATOM 380 CD1 LEU A 20 107.287 -8.803 4.872 1.00 0.00 C ATOM 381 CD2 LEU A 20 109.436 -7.745 5.519 1.00 0.00 C ATOM 0 H LEU A 20 105.008 -6.131 7.637 1.00 0.00 H new ATOM 0 HA LEU A 20 105.975 -8.851 7.077 1.00 0.00 H new ATOM 0 HB2 LEU A 20 107.233 -6.440 6.408 1.00 0.00 H new ATOM 0 HB3 LEU A 20 108.106 -7.094 7.780 1.00 0.00 H new ATOM 0 HG LEU A 20 108.389 -9.230 6.623 1.00 0.00 H new ATOM 0 HD11 LEU A 20 107.847 -9.499 4.247 1.00 0.00 H new ATOM 0 HD12 LEU A 20 106.398 -9.300 5.260 1.00 0.00 H new ATOM 0 HD13 LEU A 20 106.990 -7.940 4.277 1.00 0.00 H new ATOM 0 HD21 LEU A 20 109.935 -8.457 4.862 1.00 0.00 H new ATOM 0 HD22 LEU A 20 109.213 -6.834 4.964 1.00 0.00 H new ATOM 0 HD23 LEU A 20 110.088 -7.508 6.359 1.00 0.00 H new ATOM 393 N ARG A 21 106.294 -9.223 9.450 1.00 0.00 N ATOM 394 CA ARG A 21 106.361 -9.536 10.826 1.00 0.00 C ATOM 395 C ARG A 21 107.794 -9.381 11.308 1.00 0.00 C ATOM 396 O ARG A 21 108.645 -10.150 10.903 1.00 0.00 O ATOM 397 CB ARG A 21 105.925 -10.985 11.050 1.00 0.00 C ATOM 398 CG ARG A 21 105.916 -11.409 12.509 1.00 0.00 C ATOM 399 CD ARG A 21 105.906 -12.924 12.632 1.00 0.00 C ATOM 400 NE ARG A 21 105.941 -13.372 14.031 1.00 0.00 N ATOM 401 CZ ARG A 21 106.946 -14.063 14.602 1.00 0.00 C ATOM 402 NH1 ARG A 21 108.098 -14.259 13.947 1.00 0.00 N ATOM 403 NH2 ARG A 21 106.802 -14.523 15.839 1.00 0.00 N ATOM 0 H ARG A 21 106.328 -10.037 8.836 1.00 0.00 H new ATOM 0 HA ARG A 21 105.703 -8.864 11.376 1.00 0.00 H new ATOM 0 HB2 ARG A 21 104.926 -11.121 10.637 1.00 0.00 H new ATOM 0 HB3 ARG A 21 106.592 -11.644 10.495 1.00 0.00 H new ATOM 0 HG2 ARG A 21 106.793 -11.005 13.015 1.00 0.00 H new ATOM 0 HG3 ARG A 21 105.040 -10.994 13.007 1.00 0.00 H new ATOM 0 HD2 ARG A 21 105.012 -13.319 12.149 1.00 0.00 H new ATOM 0 HD3 ARG A 21 106.764 -13.335 12.100 1.00 0.00 H new ATOM 0 HE ARG A 21 105.139 -13.141 14.617 1.00 0.00 H new ATOM 0 HH11 ARG A 21 108.220 -13.883 13.007 1.00 0.00 H new ATOM 0 HH12 ARG A 21 108.853 -14.784 14.389 1.00 0.00 H new ATOM 0 HH21 ARG A 21 105.935 -14.352 16.349 1.00 0.00 H new ATOM 0 HH22 ARG A 21 107.558 -15.047 16.279 1.00 0.00 H new ATOM 417 N LYS A 22 108.054 -8.346 12.095 1.00 0.00 N ATOM 418 CA LYS A 22 109.303 -8.155 12.799 1.00 0.00 C ATOM 419 C LYS A 22 109.815 -9.450 13.352 1.00 0.00 C ATOM 420 O LYS A 22 109.268 -9.965 14.356 1.00 0.00 O ATOM 421 CB LYS A 22 109.065 -7.283 13.979 1.00 0.00 C ATOM 422 CG LYS A 22 108.964 -5.812 13.748 1.00 0.00 C ATOM 423 CD LYS A 22 107.881 -5.362 12.879 1.00 0.00 C ATOM 424 CE LYS A 22 107.448 -3.945 13.235 1.00 0.00 C ATOM 425 NZ LYS A 22 108.508 -2.929 13.116 1.00 0.00 N ATOM 0 H LYS A 22 107.380 -7.599 12.262 1.00 0.00 H new ATOM 0 HA LYS A 22 110.015 -7.727 12.093 1.00 0.00 H new ATOM 0 HB2 LYS A 22 108.142 -7.611 14.457 1.00 0.00 H new ATOM 0 HB3 LYS A 22 109.872 -7.456 14.691 1.00 0.00 H new ATOM 0 HG2 LYS A 22 108.852 -5.322 14.715 1.00 0.00 H new ATOM 0 HG3 LYS A 22 109.907 -5.468 13.324 1.00 0.00 H new ATOM 0 HD2 LYS A 22 108.206 -5.396 11.839 1.00 0.00 H new ATOM 0 HD3 LYS A 22 107.032 -6.039 12.970 1.00 0.00 H new ATOM 0 HE2 LYS A 22 106.617 -3.661 12.589 1.00 0.00 H new ATOM 0 HE3 LYS A 22 107.073 -3.941 14.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 108.085 -1.980 13.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 109.186 -3.042 13.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 109.002 -3.047 12.208 1.00 0.00 H new ATOM 439 N SER A 23 110.833 -9.947 12.719 1.00 0.00 N ATOM 440 CA SER A 23 111.436 -11.192 13.064 1.00 0.00 C ATOM 441 C SER A 23 112.948 -11.011 13.259 1.00 0.00 C ATOM 442 O SER A 23 113.579 -10.221 12.561 1.00 0.00 O ATOM 443 CB SER A 23 111.110 -12.229 11.971 1.00 0.00 C ATOM 444 OG SER A 23 109.700 -12.430 11.878 1.00 0.00 O ATOM 0 H SER A 23 111.277 -9.483 11.927 1.00 0.00 H new ATOM 0 HA SER A 23 111.034 -11.557 14.009 1.00 0.00 H new ATOM 0 HB2 SER A 23 111.499 -11.889 11.011 1.00 0.00 H new ATOM 0 HB3 SER A 23 111.604 -13.174 12.199 1.00 0.00 H new ATOM 0 HG SER A 23 109.298 -11.695 11.369 1.00 0.00 H new ATOM 450 N SER A 24 113.487 -11.709 14.250 1.00 0.00 N ATOM 451 CA SER A 24 114.911 -11.699 14.627 1.00 0.00 C ATOM 452 C SER A 24 115.500 -10.290 14.919 1.00 0.00 C ATOM 453 O SER A 24 116.675 -10.050 14.652 1.00 0.00 O ATOM 454 CB SER A 24 115.752 -12.441 13.590 1.00 0.00 C ATOM 455 OG SER A 24 115.242 -13.758 13.366 1.00 0.00 O ATOM 0 H SER A 24 112.930 -12.325 14.842 1.00 0.00 H new ATOM 0 HA SER A 24 114.959 -12.227 15.580 1.00 0.00 H new ATOM 0 HB2 SER A 24 115.756 -11.884 12.653 1.00 0.00 H new ATOM 0 HB3 SER A 24 116.786 -12.500 13.930 1.00 0.00 H new ATOM 0 HG SER A 24 115.795 -14.214 12.697 1.00 0.00 H new ATOM 461 N ARG A 25 114.666 -9.374 15.462 1.00 0.00 N ATOM 462 CA ARG A 25 115.107 -8.036 15.878 1.00 0.00 C ATOM 463 C ARG A 25 115.344 -7.184 14.665 1.00 0.00 C ATOM 464 O ARG A 25 116.423 -6.619 14.447 1.00 0.00 O ATOM 465 CB ARG A 25 116.328 -8.088 16.824 1.00 0.00 C ATOM 466 CG ARG A 25 116.003 -8.433 18.270 1.00 0.00 C ATOM 467 CD ARG A 25 115.542 -7.208 19.020 1.00 0.00 C ATOM 468 NE ARG A 25 115.241 -7.481 20.420 1.00 0.00 N ATOM 469 CZ ARG A 25 114.464 -6.707 21.195 1.00 0.00 C ATOM 470 NH1 ARG A 25 113.890 -5.611 20.689 1.00 0.00 N ATOM 471 NH2 ARG A 25 114.261 -7.026 22.467 1.00 0.00 N ATOM 0 H ARG A 25 113.673 -9.547 15.621 1.00 0.00 H new ATOM 0 HA ARG A 25 114.313 -7.574 16.465 1.00 0.00 H new ATOM 0 HB2 ARG A 25 117.036 -8.823 16.440 1.00 0.00 H new ATOM 0 HB3 ARG A 25 116.829 -7.120 16.800 1.00 0.00 H new ATOM 0 HG2 ARG A 25 115.227 -9.198 18.301 1.00 0.00 H new ATOM 0 HG3 ARG A 25 116.884 -8.853 18.756 1.00 0.00 H new ATOM 0 HD2 ARG A 25 116.314 -6.441 18.962 1.00 0.00 H new ATOM 0 HD3 ARG A 25 114.654 -6.804 18.535 1.00 0.00 H new ATOM 0 HE ARG A 25 115.648 -8.317 20.839 1.00 0.00 H new ATOM 0 HH11 ARG A 25 114.042 -5.361 19.712 1.00 0.00 H new ATOM 0 HH12 ARG A 25 113.300 -5.025 21.280 1.00 0.00 H new ATOM 0 HH21 ARG A 25 114.696 -7.861 22.859 1.00 0.00 H new ATOM 0 HH22 ARG A 25 113.670 -6.436 23.053 1.00 0.00 H new ATOM 485 N GLY A 26 114.331 -7.138 13.872 1.00 0.00 N ATOM 486 CA GLY A 26 114.336 -6.426 12.666 1.00 0.00 C ATOM 487 C GLY A 26 113.443 -7.126 11.722 1.00 0.00 C ATOM 488 O GLY A 26 112.258 -7.353 12.025 1.00 0.00 O ATOM 0 H GLY A 26 113.450 -7.616 14.063 1.00 0.00 H new ATOM 0 HA2 GLY A 26 113.996 -5.403 12.826 1.00 0.00 H new ATOM 0 HA3 GLY A 26 115.347 -6.366 12.262 1.00 0.00 H new ATOM 492 N PHE A 27 113.987 -7.533 10.643 1.00 0.00 N ATOM 493 CA PHE A 27 113.258 -8.155 9.609 1.00 0.00 C ATOM 494 C PHE A 27 113.979 -9.389 9.071 1.00 0.00 C ATOM 495 O PHE A 27 113.691 -10.513 9.502 1.00 0.00 O ATOM 496 CB PHE A 27 113.012 -7.112 8.532 1.00 0.00 C ATOM 497 CG PHE A 27 111.980 -6.130 8.940 1.00 0.00 C ATOM 498 CD1 PHE A 27 110.638 -6.482 9.039 1.00 0.00 C ATOM 499 CD2 PHE A 27 112.363 -4.879 9.323 1.00 0.00 C ATOM 500 CE1 PHE A 27 109.717 -5.565 9.506 1.00 0.00 C ATOM 501 CE2 PHE A 27 111.465 -3.992 9.798 1.00 0.00 C ATOM 502 CZ PHE A 27 110.147 -4.322 9.891 1.00 0.00 C ATOM 0 H PHE A 27 114.984 -7.440 10.447 1.00 0.00 H new ATOM 0 HA PHE A 27 112.304 -8.523 9.987 1.00 0.00 H new ATOM 0 HB2 PHE A 27 113.943 -6.590 8.313 1.00 0.00 H new ATOM 0 HB3 PHE A 27 112.699 -7.606 7.612 1.00 0.00 H new ATOM 0 HD1 PHE A 27 110.316 -7.472 8.751 1.00 0.00 H new ATOM 0 HD2 PHE A 27 113.402 -4.594 9.245 1.00 0.00 H new ATOM 0 HE1 PHE A 27 108.670 -5.824 9.567 1.00 0.00 H new ATOM 0 HE2 PHE A 27 111.794 -3.011 10.107 1.00 0.00 H new ATOM 0 HZ PHE A 27 109.438 -3.601 10.270 1.00 0.00 H new ATOM 512 N GLY A 28 114.965 -9.196 8.247 1.00 0.00 N ATOM 513 CA GLY A 28 115.568 -10.308 7.539 1.00 0.00 C ATOM 514 C GLY A 28 115.709 -10.046 6.034 1.00 0.00 C ATOM 515 O GLY A 28 115.298 -10.859 5.204 1.00 0.00 O ATOM 0 H GLY A 28 115.375 -8.285 8.042 1.00 0.00 H new ATOM 0 HA2 GLY A 28 116.552 -10.512 7.962 1.00 0.00 H new ATOM 0 HA3 GLY A 28 114.964 -11.202 7.693 1.00 0.00 H new ATOM 519 N PHE A 29 116.236 -8.906 5.699 1.00 0.00 N ATOM 520 CA PHE A 29 116.569 -8.531 4.344 1.00 0.00 C ATOM 521 C PHE A 29 117.551 -7.379 4.419 1.00 0.00 C ATOM 522 O PHE A 29 117.468 -6.561 5.319 1.00 0.00 O ATOM 523 CB PHE A 29 115.322 -8.198 3.481 1.00 0.00 C ATOM 524 CG PHE A 29 114.441 -7.103 3.991 1.00 0.00 C ATOM 525 CD1 PHE A 29 114.666 -5.808 3.622 1.00 0.00 C ATOM 526 CD2 PHE A 29 113.374 -7.383 4.808 1.00 0.00 C ATOM 527 CE1 PHE A 29 113.842 -4.787 4.058 1.00 0.00 C ATOM 528 CE2 PHE A 29 112.550 -6.371 5.254 1.00 0.00 C ATOM 529 CZ PHE A 29 112.783 -5.072 4.877 1.00 0.00 C ATOM 0 H PHE A 29 116.456 -8.181 6.382 1.00 0.00 H new ATOM 0 HA PHE A 29 117.026 -9.378 3.833 1.00 0.00 H new ATOM 0 HB2 PHE A 29 115.660 -7.928 2.480 1.00 0.00 H new ATOM 0 HB3 PHE A 29 114.722 -9.103 3.382 1.00 0.00 H new ATOM 0 HD1 PHE A 29 115.502 -5.577 2.978 1.00 0.00 H new ATOM 0 HD2 PHE A 29 113.178 -8.403 5.104 1.00 0.00 H new ATOM 0 HE1 PHE A 29 114.033 -3.769 3.754 1.00 0.00 H new ATOM 0 HE2 PHE A 29 111.718 -6.602 5.903 1.00 0.00 H new ATOM 0 HZ PHE A 29 112.135 -4.280 5.224 1.00 0.00 H new ATOM 539 N THR A 30 118.492 -7.316 3.551 1.00 0.00 N ATOM 540 CA THR A 30 119.442 -6.265 3.638 1.00 0.00 C ATOM 541 C THR A 30 119.181 -5.220 2.570 1.00 0.00 C ATOM 542 O THR A 30 118.915 -5.540 1.372 1.00 0.00 O ATOM 543 CB THR A 30 120.883 -6.810 3.622 1.00 0.00 C ATOM 544 OG1 THR A 30 121.064 -7.663 2.485 1.00 0.00 O ATOM 545 CG2 THR A 30 121.137 -7.625 4.890 1.00 0.00 C ATOM 0 H THR A 30 118.627 -7.970 2.780 1.00 0.00 H new ATOM 0 HA THR A 30 119.326 -5.763 4.599 1.00 0.00 H new ATOM 0 HB THR A 30 121.578 -5.972 3.572 1.00 0.00 H new ATOM 0 HG1 THR A 30 121.296 -7.120 1.703 1.00 0.00 H new ATOM 0 HG21 THR A 30 122.157 -8.010 4.877 1.00 0.00 H new ATOM 0 HG22 THR A 30 121.000 -6.989 5.765 1.00 0.00 H new ATOM 0 HG23 THR A 30 120.435 -8.458 4.934 1.00 0.00 H new ATOM 553 N VAL A 31 119.244 -3.979 2.980 1.00 0.00 N ATOM 554 CA VAL A 31 118.868 -2.890 2.130 1.00 0.00 C ATOM 555 C VAL A 31 119.996 -1.917 1.879 1.00 0.00 C ATOM 556 O VAL A 31 120.835 -1.657 2.750 1.00 0.00 O ATOM 557 CB VAL A 31 117.628 -2.138 2.673 1.00 0.00 C ATOM 558 CG1 VAL A 31 116.416 -2.999 2.645 1.00 0.00 C ATOM 559 CG2 VAL A 31 117.860 -1.699 4.049 1.00 0.00 C ATOM 0 H VAL A 31 119.557 -3.701 3.910 1.00 0.00 H new ATOM 0 HA VAL A 31 118.611 -3.344 1.173 1.00 0.00 H new ATOM 0 HB VAL A 31 117.465 -1.275 2.028 1.00 0.00 H new ATOM 0 HG11 VAL A 31 115.564 -2.441 3.033 1.00 0.00 H new ATOM 0 HG12 VAL A 31 116.212 -3.307 1.619 1.00 0.00 H new ATOM 0 HG13 VAL A 31 116.582 -3.882 3.262 1.00 0.00 H new ATOM 0 HG21 VAL A 31 116.979 -1.172 4.416 1.00 0.00 H new ATOM 0 HG22 VAL A 31 118.053 -2.567 4.680 1.00 0.00 H new ATOM 0 HG23 VAL A 31 118.721 -1.031 4.078 1.00 0.00 H new ATOM 569 N VAL A 32 119.973 -1.361 0.701 1.00 0.00 N ATOM 570 CA VAL A 32 120.942 -0.449 0.226 1.00 0.00 C ATOM 571 C VAL A 32 120.277 0.882 -0.119 1.00 0.00 C ATOM 572 O VAL A 32 119.205 0.916 -0.679 1.00 0.00 O ATOM 573 CB VAL A 32 121.727 -1.023 -0.988 1.00 0.00 C ATOM 574 CG1 VAL A 32 122.329 -2.381 -0.645 1.00 0.00 C ATOM 575 CG2 VAL A 32 120.855 -1.105 -2.238 1.00 0.00 C ATOM 0 H VAL A 32 119.236 -1.549 0.022 1.00 0.00 H new ATOM 0 HA VAL A 32 121.671 -0.280 1.018 1.00 0.00 H new ATOM 0 HB VAL A 32 122.542 -0.334 -1.211 1.00 0.00 H new ATOM 0 HG11 VAL A 32 122.874 -2.766 -1.507 1.00 0.00 H new ATOM 0 HG12 VAL A 32 123.012 -2.274 0.198 1.00 0.00 H new ATOM 0 HG13 VAL A 32 121.532 -3.076 -0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 32 121.440 -1.511 -3.064 1.00 0.00 H new ATOM 0 HG22 VAL A 32 120.001 -1.755 -2.044 1.00 0.00 H new ATOM 0 HG23 VAL A 32 120.500 -0.108 -2.500 1.00 0.00 H new ATOM 585 N GLY A 33 120.881 1.938 0.281 1.00 0.00 N ATOM 586 CA GLY A 33 120.366 3.241 0.006 1.00 0.00 C ATOM 587 C GLY A 33 120.150 3.973 1.276 1.00 0.00 C ATOM 588 O GLY A 33 121.055 3.986 2.108 1.00 0.00 O ATOM 0 H GLY A 33 121.752 1.931 0.812 1.00 0.00 H new ATOM 0 HA2 GLY A 33 121.062 3.791 -0.628 1.00 0.00 H new ATOM 0 HA3 GLY A 33 119.428 3.163 -0.544 1.00 0.00 H new ATOM 592 N GLY A 34 118.947 4.564 1.399 1.00 0.00 N ATOM 593 CA GLY A 34 118.439 5.291 2.579 1.00 0.00 C ATOM 594 C GLY A 34 119.469 6.081 3.288 1.00 0.00 C ATOM 595 O GLY A 34 119.775 5.849 4.482 1.00 0.00 O ATOM 0 H GLY A 34 118.267 4.547 0.639 1.00 0.00 H new ATOM 0 HA2 GLY A 34 117.637 5.958 2.264 1.00 0.00 H new ATOM 0 HA3 GLY A 34 118.003 4.574 3.275 1.00 0.00 H new ATOM 599 N ASP A 35 120.023 6.970 2.606 1.00 0.00 N ATOM 600 CA ASP A 35 121.066 7.717 3.176 1.00 0.00 C ATOM 601 C ASP A 35 120.662 9.137 3.284 1.00 0.00 C ATOM 602 O ASP A 35 121.173 9.878 4.123 1.00 0.00 O ATOM 603 CB ASP A 35 122.311 7.532 2.341 1.00 0.00 C ATOM 604 CG ASP A 35 123.594 7.758 3.154 1.00 0.00 C ATOM 605 OD1 ASP A 35 124.097 6.798 3.784 1.00 0.00 O ATOM 606 OD2 ASP A 35 124.119 8.893 3.193 1.00 0.00 O ATOM 0 H ASP A 35 119.781 7.211 1.645 1.00 0.00 H new ATOM 0 HA ASP A 35 121.284 7.370 4.186 1.00 0.00 H new ATOM 0 HB2 ASP A 35 122.320 6.525 1.924 1.00 0.00 H new ATOM 0 HB3 ASP A 35 122.289 8.225 1.500 1.00 0.00 H new ATOM 611 N GLU A 36 119.653 9.503 2.526 1.00 0.00 N ATOM 612 CA GLU A 36 119.295 10.885 2.418 1.00 0.00 C ATOM 613 C GLU A 36 117.894 10.986 1.999 1.00 0.00 C ATOM 614 O GLU A 36 117.326 9.994 1.659 1.00 0.00 O ATOM 615 CB GLU A 36 120.331 11.606 1.507 1.00 0.00 C ATOM 616 CG GLU A 36 120.827 10.756 0.374 1.00 0.00 C ATOM 617 CD GLU A 36 122.031 11.371 -0.333 1.00 0.00 C ATOM 618 OE1 GLU A 36 123.158 11.174 0.131 1.00 0.00 O ATOM 619 OE2 GLU A 36 121.869 12.086 -1.343 1.00 0.00 O ATOM 0 H GLU A 36 119.074 8.863 1.982 1.00 0.00 H new ATOM 0 HA GLU A 36 119.343 11.406 3.374 1.00 0.00 H new ATOM 0 HB2 GLU A 36 119.878 12.510 1.101 1.00 0.00 H new ATOM 0 HB3 GLU A 36 121.180 11.920 2.114 1.00 0.00 H new ATOM 0 HG2 GLU A 36 121.097 9.771 0.754 1.00 0.00 H new ATOM 0 HG3 GLU A 36 120.022 10.610 -0.346 1.00 0.00 H new ATOM 626 N PRO A 37 117.278 12.138 2.051 1.00 0.00 N ATOM 627 CA PRO A 37 115.856 12.276 1.722 1.00 0.00 C ATOM 628 C PRO A 37 115.657 11.868 0.303 1.00 0.00 C ATOM 629 O PRO A 37 114.761 11.108 -0.040 1.00 0.00 O ATOM 630 CB PRO A 37 115.648 13.776 1.894 1.00 0.00 C ATOM 631 CG PRO A 37 116.698 14.164 2.856 1.00 0.00 C ATOM 632 CD PRO A 37 117.870 13.424 2.377 1.00 0.00 C ATOM 0 HA PRO A 37 115.173 11.675 2.322 1.00 0.00 H new ATOM 0 HB2 PRO A 37 115.755 14.307 0.948 1.00 0.00 H new ATOM 0 HB3 PRO A 37 114.652 14.002 2.275 1.00 0.00 H new ATOM 0 HG2 PRO A 37 116.871 15.240 2.853 1.00 0.00 H new ATOM 0 HG3 PRO A 37 116.434 13.886 3.876 1.00 0.00 H new ATOM 0 HD2 PRO A 37 118.329 13.897 1.509 1.00 0.00 H new ATOM 0 HD3 PRO A 37 118.643 13.339 3.140 1.00 0.00 H new ATOM 640 N ASP A 38 116.628 12.260 -0.453 1.00 0.00 N ATOM 641 CA ASP A 38 116.722 12.070 -1.852 1.00 0.00 C ATOM 642 C ASP A 38 117.038 10.593 -2.211 1.00 0.00 C ATOM 643 O ASP A 38 116.917 10.178 -3.370 1.00 0.00 O ATOM 644 CB ASP A 38 117.781 13.046 -2.337 1.00 0.00 C ATOM 645 CG ASP A 38 118.103 13.014 -3.821 1.00 0.00 C ATOM 646 OD1 ASP A 38 117.321 13.548 -4.616 1.00 0.00 O ATOM 647 OD2 ASP A 38 119.201 12.537 -4.196 1.00 0.00 O ATOM 0 H ASP A 38 117.434 12.758 -0.075 1.00 0.00 H new ATOM 0 HA ASP A 38 115.773 12.269 -2.351 1.00 0.00 H new ATOM 0 HB2 ASP A 38 117.459 14.055 -2.079 1.00 0.00 H new ATOM 0 HB3 ASP A 38 118.701 12.854 -1.784 1.00 0.00 H new ATOM 652 N GLU A 39 117.415 9.794 -1.215 1.00 0.00 N ATOM 653 CA GLU A 39 117.616 8.389 -1.446 1.00 0.00 C ATOM 654 C GLU A 39 116.930 7.543 -0.392 1.00 0.00 C ATOM 655 O GLU A 39 117.328 7.555 0.823 1.00 0.00 O ATOM 656 CB GLU A 39 119.089 8.005 -1.566 1.00 0.00 C ATOM 657 CG GLU A 39 119.282 6.506 -1.754 1.00 0.00 C ATOM 658 CD GLU A 39 120.663 6.133 -2.155 1.00 0.00 C ATOM 659 OE1 GLU A 39 121.505 5.888 -1.301 1.00 0.00 O ATOM 660 OE2 GLU A 39 120.917 6.081 -3.371 1.00 0.00 O ATOM 0 H GLU A 39 117.582 10.102 -0.257 1.00 0.00 H new ATOM 0 HA GLU A 39 117.154 8.181 -2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 39 119.533 8.535 -2.409 1.00 0.00 H new ATOM 0 HB3 GLU A 39 119.621 8.328 -0.671 1.00 0.00 H new ATOM 0 HG2 GLU A 39 119.032 5.996 -0.824 1.00 0.00 H new ATOM 0 HG3 GLU A 39 118.583 6.150 -2.511 1.00 0.00 H new ATOM 667 N PHE A 40 115.989 6.747 -0.925 1.00 0.00 N ATOM 668 CA PHE A 40 115.097 5.788 -0.245 1.00 0.00 C ATOM 669 C PHE A 40 115.836 4.474 -0.115 1.00 0.00 C ATOM 670 O PHE A 40 116.896 4.296 -0.732 1.00 0.00 O ATOM 671 CB PHE A 40 113.832 5.528 -1.090 1.00 0.00 C ATOM 672 CG PHE A 40 113.205 6.735 -1.750 1.00 0.00 C ATOM 673 CD1 PHE A 40 112.779 7.824 -1.012 1.00 0.00 C ATOM 674 CD2 PHE A 40 113.021 6.754 -3.128 1.00 0.00 C ATOM 675 CE1 PHE A 40 112.185 8.912 -1.633 1.00 0.00 C ATOM 676 CE2 PHE A 40 112.430 7.837 -3.753 1.00 0.00 C ATOM 677 CZ PHE A 40 112.012 8.917 -3.007 1.00 0.00 C ATOM 0 H PHE A 40 115.816 6.757 -1.930 1.00 0.00 H new ATOM 0 HA PHE A 40 114.810 6.195 0.725 1.00 0.00 H new ATOM 0 HB2 PHE A 40 114.082 4.805 -1.867 1.00 0.00 H new ATOM 0 HB3 PHE A 40 113.083 5.061 -0.450 1.00 0.00 H new ATOM 0 HD1 PHE A 40 112.910 7.827 0.060 1.00 0.00 H new ATOM 0 HD2 PHE A 40 113.345 5.910 -3.719 1.00 0.00 H new ATOM 0 HE1 PHE A 40 111.857 9.756 -1.045 1.00 0.00 H new ATOM 0 HE2 PHE A 40 112.296 7.836 -4.825 1.00 0.00 H new ATOM 0 HZ PHE A 40 111.551 9.765 -3.492 1.00 0.00 H new ATOM 687 N LEU A 41 115.338 3.559 0.705 1.00 0.00 N ATOM 688 CA LEU A 41 116.091 2.330 0.891 1.00 0.00 C ATOM 689 C LEU A 41 115.629 1.329 -0.101 1.00 0.00 C ATOM 690 O LEU A 41 114.507 1.322 -0.431 1.00 0.00 O ATOM 691 CB LEU A 41 115.997 1.721 2.277 1.00 0.00 C ATOM 692 CG LEU A 41 116.493 2.511 3.464 1.00 0.00 C ATOM 693 CD1 LEU A 41 115.565 3.667 3.841 1.00 0.00 C ATOM 694 CD2 LEU A 41 116.696 1.582 4.618 1.00 0.00 C ATOM 0 H LEU A 41 114.464 3.635 1.226 1.00 0.00 H new ATOM 0 HA LEU A 41 117.138 2.601 0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 41 114.950 1.479 2.459 1.00 0.00 H new ATOM 0 HB3 LEU A 41 116.544 0.778 2.259 1.00 0.00 H new ATOM 0 HG LEU A 41 117.441 2.972 3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 41 115.975 4.197 4.701 1.00 0.00 H new ATOM 0 HD12 LEU A 41 115.479 4.354 2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 41 114.579 3.275 4.092 1.00 0.00 H new ATOM 0 HD21 LEU A 41 117.054 2.145 5.480 1.00 0.00 H new ATOM 0 HD22 LEU A 41 115.751 1.100 4.867 1.00 0.00 H new ATOM 0 HD23 LEU A 41 117.431 0.823 4.349 1.00 0.00 H new ATOM 706 N GLN A 42 116.491 0.520 -0.582 1.00 0.00 N ATOM 707 CA GLN A 42 116.149 -0.456 -1.576 1.00 0.00 C ATOM 708 C GLN A 42 116.664 -1.783 -1.072 1.00 0.00 C ATOM 709 O GLN A 42 117.508 -1.799 -0.263 1.00 0.00 O ATOM 710 CB GLN A 42 116.895 -0.109 -2.836 1.00 0.00 C ATOM 711 CG GLN A 42 116.497 -0.888 -4.063 1.00 0.00 C ATOM 712 CD GLN A 42 117.613 -0.963 -5.090 1.00 0.00 C ATOM 713 OE1 GLN A 42 118.454 -0.051 -5.206 1.00 0.00 O ATOM 714 NE2 GLN A 42 117.642 -2.032 -5.839 1.00 0.00 N ATOM 0 H GLN A 42 117.472 0.505 -0.302 1.00 0.00 H new ATOM 0 HA GLN A 42 115.076 -0.488 -1.765 1.00 0.00 H new ATOM 0 HB2 GLN A 42 116.754 0.952 -3.040 1.00 0.00 H new ATOM 0 HB3 GLN A 42 117.960 -0.261 -2.660 1.00 0.00 H new ATOM 0 HG2 GLN A 42 116.208 -1.897 -3.771 1.00 0.00 H new ATOM 0 HG3 GLN A 42 115.621 -0.424 -4.516 1.00 0.00 H new ATOM 0 HE21 GLN A 42 116.937 -2.759 -5.717 1.00 0.00 H new ATOM 0 HE22 GLN A 42 118.369 -2.140 -6.546 1.00 0.00 H new ATOM 723 N ILE A 43 116.178 -2.864 -1.561 1.00 0.00 N ATOM 724 CA ILE A 43 116.631 -4.185 -1.080 1.00 0.00 C ATOM 725 C ILE A 43 117.523 -4.801 -2.122 1.00 0.00 C ATOM 726 O ILE A 43 117.125 -4.928 -3.290 1.00 0.00 O ATOM 727 CB ILE A 43 115.458 -5.238 -0.855 1.00 0.00 C ATOM 728 CG1 ILE A 43 114.515 -4.853 0.242 1.00 0.00 C ATOM 729 CG2 ILE A 43 116.010 -6.630 -0.514 1.00 0.00 C ATOM 730 CD1 ILE A 43 113.868 -3.549 0.087 1.00 0.00 C ATOM 0 H ILE A 43 115.468 -2.896 -2.292 1.00 0.00 H new ATOM 0 HA ILE A 43 117.121 -3.993 -0.125 1.00 0.00 H new ATOM 0 HB ILE A 43 114.916 -5.252 -1.801 1.00 0.00 H new ATOM 0 HG12 ILE A 43 113.741 -5.617 0.317 1.00 0.00 H new ATOM 0 HG13 ILE A 43 115.061 -4.859 1.185 1.00 0.00 H new ATOM 0 HG21 ILE A 43 115.182 -7.324 -0.367 1.00 0.00 H new ATOM 0 HG22 ILE A 43 116.638 -6.983 -1.332 1.00 0.00 H new ATOM 0 HG23 ILE A 43 116.602 -6.573 0.399 1.00 0.00 H new ATOM 0 HD11 ILE A 43 113.207 -3.368 0.934 1.00 0.00 H new ATOM 0 HD12 ILE A 43 114.628 -2.768 0.047 1.00 0.00 H new ATOM 0 HD13 ILE A 43 113.287 -3.538 -0.835 1.00 0.00 H new ATOM 742 N LYS A 44 118.683 -5.204 -1.717 1.00 0.00 N ATOM 743 CA LYS A 44 119.546 -5.967 -2.625 1.00 0.00 C ATOM 744 C LYS A 44 119.751 -7.391 -2.181 1.00 0.00 C ATOM 745 O LYS A 44 120.336 -8.166 -2.910 1.00 0.00 O ATOM 746 CB LYS A 44 120.896 -5.338 -3.064 1.00 0.00 C ATOM 747 CG LYS A 44 120.805 -4.079 -3.924 1.00 0.00 C ATOM 748 CD LYS A 44 122.074 -3.870 -4.811 1.00 0.00 C ATOM 749 CE LYS A 44 123.386 -3.729 -4.031 1.00 0.00 C ATOM 750 NZ LYS A 44 124.575 -3.642 -4.945 1.00 0.00 N ATOM 0 H LYS A 44 119.069 -5.034 -0.788 1.00 0.00 H new ATOM 0 HA LYS A 44 118.945 -5.937 -3.534 1.00 0.00 H new ATOM 0 HB2 LYS A 44 121.471 -5.101 -2.169 1.00 0.00 H new ATOM 0 HB3 LYS A 44 121.461 -6.090 -3.615 1.00 0.00 H new ATOM 0 HG2 LYS A 44 119.925 -4.142 -4.563 1.00 0.00 H new ATOM 0 HG3 LYS A 44 120.669 -3.211 -3.279 1.00 0.00 H new ATOM 0 HD2 LYS A 44 122.164 -4.713 -5.497 1.00 0.00 H new ATOM 0 HD3 LYS A 44 121.932 -2.977 -5.420 1.00 0.00 H new ATOM 0 HE2 LYS A 44 123.343 -2.837 -3.406 1.00 0.00 H new ATOM 0 HE3 LYS A 44 123.504 -4.581 -3.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 125.442 -3.548 -4.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 124.632 -4.504 -5.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 124.475 -2.814 -5.566 1.00 0.00 H new ATOM 764 N SER A 45 119.301 -7.760 -0.998 1.00 0.00 N ATOM 765 CA SER A 45 119.358 -9.164 -0.609 1.00 0.00 C ATOM 766 C SER A 45 118.237 -9.554 0.335 1.00 0.00 C ATOM 767 O SER A 45 118.000 -8.902 1.339 1.00 0.00 O ATOM 768 CB SER A 45 120.721 -9.537 0.000 1.00 0.00 C ATOM 769 OG SER A 45 121.760 -9.410 -0.958 1.00 0.00 O ATOM 0 H SER A 45 118.901 -7.130 -0.302 1.00 0.00 H new ATOM 0 HA SER A 45 119.226 -9.732 -1.530 1.00 0.00 H new ATOM 0 HB2 SER A 45 120.929 -8.893 0.855 1.00 0.00 H new ATOM 0 HB3 SER A 45 120.689 -10.561 0.372 1.00 0.00 H new ATOM 0 HG SER A 45 121.387 -9.085 -1.804 1.00 0.00 H new ATOM 775 N LEU A 46 117.540 -10.589 -0.024 1.00 0.00 N ATOM 776 CA LEU A 46 116.572 -11.199 0.789 1.00 0.00 C ATOM 777 C LEU A 46 117.277 -12.176 1.692 1.00 0.00 C ATOM 778 O LEU A 46 117.924 -13.117 1.218 1.00 0.00 O ATOM 779 CB LEU A 46 115.553 -11.917 -0.100 1.00 0.00 C ATOM 780 CG LEU A 46 114.592 -12.881 0.577 1.00 0.00 C ATOM 781 CD1 LEU A 46 113.903 -12.207 1.718 1.00 0.00 C ATOM 782 CD2 LEU A 46 113.577 -13.390 -0.420 1.00 0.00 C ATOM 0 H LEU A 46 117.647 -11.039 -0.933 1.00 0.00 H new ATOM 0 HA LEU A 46 116.041 -10.463 1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 46 114.963 -11.160 -0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 46 116.101 -12.468 -0.864 1.00 0.00 H new ATOM 0 HG LEU A 46 115.159 -13.728 0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 46 113.218 -12.908 2.194 1.00 0.00 H new ATOM 0 HD12 LEU A 46 114.644 -11.873 2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 46 113.344 -11.347 1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 46 112.894 -14.080 0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 46 113.013 -12.550 -0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 46 114.091 -13.908 -1.230 1.00 0.00 H new ATOM 794 N VAL A 47 117.198 -11.943 2.959 1.00 0.00 N ATOM 795 CA VAL A 47 117.809 -12.799 3.909 1.00 0.00 C ATOM 796 C VAL A 47 116.815 -13.887 4.255 1.00 0.00 C ATOM 797 O VAL A 47 115.642 -13.617 4.557 1.00 0.00 O ATOM 798 CB VAL A 47 118.234 -12.014 5.172 1.00 0.00 C ATOM 799 CG1 VAL A 47 118.831 -12.931 6.204 1.00 0.00 C ATOM 800 CG2 VAL A 47 119.223 -10.911 4.815 1.00 0.00 C ATOM 0 H VAL A 47 116.704 -11.147 3.363 1.00 0.00 H new ATOM 0 HA VAL A 47 118.715 -13.237 3.491 1.00 0.00 H new ATOM 0 HB VAL A 47 117.339 -11.558 5.595 1.00 0.00 H new ATOM 0 HG11 VAL A 47 119.121 -12.352 7.081 1.00 0.00 H new ATOM 0 HG12 VAL A 47 118.096 -13.682 6.492 1.00 0.00 H new ATOM 0 HG13 VAL A 47 119.710 -13.424 5.788 1.00 0.00 H new ATOM 0 HG21 VAL A 47 119.508 -10.372 5.718 1.00 0.00 H new ATOM 0 HG22 VAL A 47 120.110 -11.351 4.360 1.00 0.00 H new ATOM 0 HG23 VAL A 47 118.759 -10.220 4.111 1.00 0.00 H new ATOM 810 N LEU A 48 117.251 -15.098 4.167 1.00 0.00 N ATOM 811 CA LEU A 48 116.389 -16.196 4.423 1.00 0.00 C ATOM 812 C LEU A 48 116.168 -16.317 5.884 1.00 0.00 C ATOM 813 O LEU A 48 117.061 -15.973 6.676 1.00 0.00 O ATOM 814 CB LEU A 48 116.932 -17.444 3.784 1.00 0.00 C ATOM 815 CG LEU A 48 117.162 -17.288 2.271 1.00 0.00 C ATOM 816 CD1 LEU A 48 117.700 -18.560 1.657 1.00 0.00 C ATOM 817 CD2 LEU A 48 115.880 -16.816 1.551 1.00 0.00 C ATOM 0 H LEU A 48 118.207 -15.351 3.918 1.00 0.00 H new ATOM 0 HA LEU A 48 115.412 -16.031 3.970 1.00 0.00 H new ATOM 0 HB2 LEU A 48 117.873 -17.712 4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 48 116.239 -18.267 3.958 1.00 0.00 H new ATOM 0 HG LEU A 48 117.919 -16.515 2.136 1.00 0.00 H new ATOM 0 HD11 LEU A 48 117.850 -18.413 0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 48 118.650 -18.816 2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 48 116.988 -19.370 1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 48 116.078 -16.716 0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 48 115.086 -17.546 1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 48 115.570 -15.852 1.954 1.00 0.00 H new ATOM 829 N ASP A 49 114.950 -16.748 6.227 1.00 0.00 N ATOM 830 CA ASP A 49 114.425 -16.778 7.600 1.00 0.00 C ATOM 831 C ASP A 49 113.917 -15.369 7.960 1.00 0.00 C ATOM 832 O ASP A 49 113.490 -15.075 9.078 1.00 0.00 O ATOM 833 CB ASP A 49 115.456 -17.333 8.594 1.00 0.00 C ATOM 834 CG ASP A 49 114.925 -17.583 9.994 1.00 0.00 C ATOM 835 OD1 ASP A 49 114.377 -18.683 10.239 1.00 0.00 O ATOM 836 OD2 ASP A 49 115.082 -16.719 10.889 1.00 0.00 O ATOM 0 H ASP A 49 114.282 -17.096 5.539 1.00 0.00 H new ATOM 0 HA ASP A 49 113.584 -17.469 7.664 1.00 0.00 H new ATOM 0 HB2 ASP A 49 115.852 -18.268 8.199 1.00 0.00 H new ATOM 0 HB3 ASP A 49 116.290 -16.635 8.657 1.00 0.00 H new ATOM 841 N GLY A 50 113.948 -14.506 6.957 1.00 0.00 N ATOM 842 CA GLY A 50 113.396 -13.186 7.050 1.00 0.00 C ATOM 843 C GLY A 50 111.922 -13.219 6.807 1.00 0.00 C ATOM 844 O GLY A 50 111.478 -14.088 6.102 1.00 0.00 O ATOM 0 H GLY A 50 114.364 -14.716 6.050 1.00 0.00 H new ATOM 0 HA2 GLY A 50 113.599 -12.769 8.036 1.00 0.00 H new ATOM 0 HA3 GLY A 50 113.876 -12.532 6.322 1.00 0.00 H new ATOM 848 N PRO A 51 111.135 -12.223 7.228 1.00 0.00 N ATOM 849 CA PRO A 51 109.698 -12.340 7.165 1.00 0.00 C ATOM 850 C PRO A 51 109.231 -12.230 5.723 1.00 0.00 C ATOM 851 O PRO A 51 108.235 -12.785 5.337 1.00 0.00 O ATOM 852 CB PRO A 51 109.201 -11.231 8.096 1.00 0.00 C ATOM 853 CG PRO A 51 110.334 -10.267 8.258 1.00 0.00 C ATOM 854 CD PRO A 51 111.534 -10.845 7.564 1.00 0.00 C ATOM 0 HA PRO A 51 109.300 -13.301 7.490 1.00 0.00 H new ATOM 0 HB2 PRO A 51 108.327 -10.734 7.674 1.00 0.00 H new ATOM 0 HB3 PRO A 51 108.900 -11.641 9.060 1.00 0.00 H new ATOM 0 HG2 PRO A 51 110.075 -9.299 7.830 1.00 0.00 H new ATOM 0 HG3 PRO A 51 110.547 -10.102 9.314 1.00 0.00 H new ATOM 0 HD2 PRO A 51 111.788 -10.276 6.670 1.00 0.00 H new ATOM 0 HD3 PRO A 51 112.411 -10.832 8.210 1.00 0.00 H new ATOM 862 N ALA A 52 110.040 -11.553 4.935 1.00 0.00 N ATOM 863 CA ALA A 52 109.857 -11.402 3.517 1.00 0.00 C ATOM 864 C ALA A 52 109.959 -12.763 2.846 1.00 0.00 C ATOM 865 O ALA A 52 109.110 -13.142 2.017 1.00 0.00 O ATOM 866 CB ALA A 52 110.960 -10.511 3.003 1.00 0.00 C ATOM 0 H ALA A 52 110.872 -11.077 5.283 1.00 0.00 H new ATOM 0 HA ALA A 52 108.880 -10.970 3.301 1.00 0.00 H new ATOM 0 HB1 ALA A 52 110.848 -10.377 1.927 1.00 0.00 H new ATOM 0 HB2 ALA A 52 110.904 -9.541 3.497 1.00 0.00 H new ATOM 0 HB3 ALA A 52 111.926 -10.970 3.213 1.00 0.00 H new ATOM 872 N ALA A 53 110.976 -13.498 3.269 1.00 0.00 N ATOM 873 CA ALA A 53 111.302 -14.810 2.759 1.00 0.00 C ATOM 874 C ALA A 53 110.208 -15.766 3.096 1.00 0.00 C ATOM 875 O ALA A 53 109.644 -16.444 2.250 1.00 0.00 O ATOM 876 CB ALA A 53 112.593 -15.288 3.426 1.00 0.00 C ATOM 0 H ALA A 53 111.614 -13.183 4.000 1.00 0.00 H new ATOM 0 HA ALA A 53 111.425 -14.762 1.677 1.00 0.00 H new ATOM 0 HB1 ALA A 53 112.852 -16.278 3.050 1.00 0.00 H new ATOM 0 HB2 ALA A 53 113.400 -14.591 3.198 1.00 0.00 H new ATOM 0 HB3 ALA A 53 112.449 -15.336 4.505 1.00 0.00 H new ATOM 882 N LEU A 54 109.893 -15.738 4.334 1.00 0.00 N ATOM 883 CA LEU A 54 108.999 -16.617 4.970 1.00 0.00 C ATOM 884 C LEU A 54 107.566 -16.417 4.616 1.00 0.00 C ATOM 885 O LEU A 54 106.797 -17.371 4.542 1.00 0.00 O ATOM 886 CB LEU A 54 109.209 -16.406 6.358 1.00 0.00 C ATOM 887 CG LEU A 54 110.625 -16.734 6.751 1.00 0.00 C ATOM 888 CD1 LEU A 54 110.695 -16.486 8.107 1.00 0.00 C ATOM 889 CD2 LEU A 54 111.010 -18.183 6.434 1.00 0.00 C ATOM 0 H LEU A 54 110.284 -15.047 4.974 1.00 0.00 H new ATOM 0 HA LEU A 54 109.199 -17.638 4.646 1.00 0.00 H new ATOM 0 HB2 LEU A 54 108.991 -15.368 6.608 1.00 0.00 H new ATOM 0 HB3 LEU A 54 108.517 -17.024 6.931 1.00 0.00 H new ATOM 0 HG LEU A 54 111.331 -16.128 6.182 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.701 -16.704 8.465 1.00 0.00 H new ATOM 0 HD12 LEU A 54 110.460 -15.439 8.298 1.00 0.00 H new ATOM 0 HD13 LEU A 54 109.979 -17.120 8.630 1.00 0.00 H new ATOM 0 HD21 LEU A 54 112.041 -18.361 6.739 1.00 0.00 H new ATOM 0 HD22 LEU A 54 110.350 -18.861 6.974 1.00 0.00 H new ATOM 0 HD23 LEU A 54 110.913 -18.359 5.363 1.00 0.00 H new ATOM 901 N ASP A 55 107.176 -15.176 4.431 1.00 0.00 N ATOM 902 CA ASP A 55 105.814 -14.885 4.015 1.00 0.00 C ATOM 903 C ASP A 55 105.702 -15.113 2.530 1.00 0.00 C ATOM 904 O ASP A 55 104.623 -15.351 1.978 1.00 0.00 O ATOM 905 CB ASP A 55 105.418 -13.450 4.372 1.00 0.00 C ATOM 906 CG ASP A 55 103.936 -13.166 4.193 1.00 0.00 C ATOM 907 OD1 ASP A 55 103.098 -13.829 4.850 1.00 0.00 O ATOM 908 OD2 ASP A 55 103.588 -12.238 3.451 1.00 0.00 O ATOM 0 H ASP A 55 107.771 -14.358 4.559 1.00 0.00 H new ATOM 0 HA ASP A 55 105.130 -15.549 4.543 1.00 0.00 H new ATOM 0 HB2 ASP A 55 105.695 -13.252 5.408 1.00 0.00 H new ATOM 0 HB3 ASP A 55 105.989 -12.759 3.752 1.00 0.00 H new ATOM 913 N GLY A 56 106.891 -15.102 1.901 1.00 0.00 N ATOM 914 CA GLY A 56 107.040 -15.355 0.479 1.00 0.00 C ATOM 915 C GLY A 56 106.317 -14.348 -0.340 1.00 0.00 C ATOM 916 O GLY A 56 105.672 -14.684 -1.331 1.00 0.00 O ATOM 0 H GLY A 56 107.773 -14.915 2.378 1.00 0.00 H new ATOM 0 HA2 GLY A 56 108.098 -15.345 0.217 1.00 0.00 H new ATOM 0 HA3 GLY A 56 106.664 -16.351 0.246 1.00 0.00 H new ATOM 920 N LYS A 57 106.443 -13.120 0.062 1.00 0.00 N ATOM 921 CA LYS A 57 105.673 -12.046 -0.511 1.00 0.00 C ATOM 922 C LYS A 57 106.568 -10.867 -0.917 1.00 0.00 C ATOM 923 O LYS A 57 106.236 -10.097 -1.823 1.00 0.00 O ATOM 924 CB LYS A 57 104.708 -11.606 0.574 1.00 0.00 C ATOM 925 CG LYS A 57 103.700 -10.536 0.211 1.00 0.00 C ATOM 926 CD LYS A 57 102.636 -11.055 -0.734 1.00 0.00 C ATOM 927 CE LYS A 57 101.496 -10.060 -0.867 1.00 0.00 C ATOM 928 NZ LYS A 57 100.840 -9.781 0.442 1.00 0.00 N ATOM 0 H LYS A 57 107.084 -12.828 0.800 1.00 0.00 H new ATOM 0 HA LYS A 57 105.161 -12.378 -1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 57 104.160 -12.484 0.915 1.00 0.00 H new ATOM 0 HB3 LYS A 57 105.293 -11.246 1.421 1.00 0.00 H new ATOM 0 HG2 LYS A 57 103.227 -10.161 1.119 1.00 0.00 H new ATOM 0 HG3 LYS A 57 104.216 -9.694 -0.251 1.00 0.00 H new ATOM 0 HD2 LYS A 57 103.075 -11.244 -1.714 1.00 0.00 H new ATOM 0 HD3 LYS A 57 102.252 -12.007 -0.368 1.00 0.00 H new ATOM 0 HE2 LYS A 57 101.875 -9.129 -1.288 1.00 0.00 H new ATOM 0 HE3 LYS A 57 100.756 -10.448 -1.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 99.952 -9.265 0.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 100.636 -10.678 0.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 101.474 -9.205 1.032 1.00 0.00 H new ATOM 942 N MET A 58 107.693 -10.748 -0.273 1.00 0.00 N ATOM 943 CA MET A 58 108.584 -9.626 -0.470 1.00 0.00 C ATOM 944 C MET A 58 109.921 -10.175 -0.954 1.00 0.00 C ATOM 945 O MET A 58 110.290 -11.307 -0.578 1.00 0.00 O ATOM 946 CB MET A 58 108.642 -8.847 0.852 1.00 0.00 C ATOM 947 CG MET A 58 109.489 -7.611 0.887 1.00 0.00 C ATOM 948 SD MET A 58 111.232 -7.927 1.084 1.00 0.00 S ATOM 949 CE MET A 58 111.755 -6.284 1.442 1.00 0.00 C ATOM 0 H MET A 58 108.026 -11.428 0.410 1.00 0.00 H new ATOM 0 HA MET A 58 108.249 -8.922 -1.231 1.00 0.00 H new ATOM 0 HB2 MET A 58 107.624 -8.566 1.122 1.00 0.00 H new ATOM 0 HB3 MET A 58 109.002 -9.524 1.627 1.00 0.00 H new ATOM 0 HG2 MET A 58 109.334 -7.052 -0.036 1.00 0.00 H new ATOM 0 HG3 MET A 58 109.151 -6.975 1.706 1.00 0.00 H new ATOM 0 HE1 MET A 58 112.788 -6.299 1.789 1.00 0.00 H new ATOM 0 HE2 MET A 58 111.684 -5.675 0.541 1.00 0.00 H new ATOM 0 HE3 MET A 58 111.117 -5.860 2.218 1.00 0.00 H new ATOM 959 N GLU A 59 110.612 -9.434 -1.813 1.00 0.00 N ATOM 960 CA GLU A 59 111.785 -9.952 -2.508 1.00 0.00 C ATOM 961 C GLU A 59 112.884 -8.925 -2.686 1.00 0.00 C ATOM 962 O GLU A 59 112.707 -7.726 -2.486 1.00 0.00 O ATOM 963 CB GLU A 59 111.395 -10.444 -3.905 1.00 0.00 C ATOM 964 CG GLU A 59 110.544 -11.684 -3.931 1.00 0.00 C ATOM 965 CD GLU A 59 110.168 -12.093 -5.324 1.00 0.00 C ATOM 966 OE1 GLU A 59 111.058 -12.260 -6.170 1.00 0.00 O ATOM 967 OE2 GLU A 59 108.966 -12.239 -5.603 1.00 0.00 O ATOM 0 H GLU A 59 110.379 -8.469 -2.046 1.00 0.00 H new ATOM 0 HA GLU A 59 112.163 -10.759 -1.881 1.00 0.00 H new ATOM 0 HB2 GLU A 59 110.861 -9.645 -4.419 1.00 0.00 H new ATOM 0 HB3 GLU A 59 112.305 -10.635 -4.473 1.00 0.00 H new ATOM 0 HG2 GLU A 59 111.082 -12.500 -3.449 1.00 0.00 H new ATOM 0 HG3 GLU A 59 109.638 -11.512 -3.349 1.00 0.00 H new ATOM 974 N THR A 60 114.031 -9.437 -3.059 1.00 0.00 N ATOM 975 CA THR A 60 115.141 -8.658 -3.456 1.00 0.00 C ATOM 976 C THR A 60 114.738 -7.895 -4.727 1.00 0.00 C ATOM 977 O THR A 60 114.338 -8.506 -5.732 1.00 0.00 O ATOM 978 CB THR A 60 116.274 -9.613 -3.791 1.00 0.00 C ATOM 979 OG1 THR A 60 116.479 -10.509 -2.703 1.00 0.00 O ATOM 980 CG2 THR A 60 117.522 -8.873 -4.039 1.00 0.00 C ATOM 0 H THR A 60 114.207 -10.441 -3.090 1.00 0.00 H new ATOM 0 HA THR A 60 115.449 -7.962 -2.675 1.00 0.00 H new ATOM 0 HB THR A 60 116.003 -10.166 -4.690 1.00 0.00 H new ATOM 0 HG1 THR A 60 117.209 -11.126 -2.920 1.00 0.00 H new ATOM 0 HG21 THR A 60 118.321 -9.576 -4.277 1.00 0.00 H new ATOM 0 HG22 THR A 60 117.379 -8.189 -4.876 1.00 0.00 H new ATOM 0 HG23 THR A 60 117.792 -8.306 -3.148 1.00 0.00 H new ATOM 988 N GLY A 61 114.834 -6.601 -4.690 1.00 0.00 N ATOM 989 CA GLY A 61 114.370 -5.822 -5.803 1.00 0.00 C ATOM 990 C GLY A 61 113.288 -4.873 -5.380 1.00 0.00 C ATOM 991 O GLY A 61 112.876 -4.002 -6.148 1.00 0.00 O ATOM 0 H GLY A 61 115.223 -6.066 -3.914 1.00 0.00 H new ATOM 0 HA2 GLY A 61 115.202 -5.263 -6.232 1.00 0.00 H new ATOM 0 HA3 GLY A 61 113.994 -6.484 -6.583 1.00 0.00 H new ATOM 995 N ASP A 62 112.790 -5.061 -4.168 1.00 0.00 N ATOM 996 CA ASP A 62 111.848 -4.121 -3.605 1.00 0.00 C ATOM 997 C ASP A 62 112.582 -2.870 -3.195 1.00 0.00 C ATOM 998 O ASP A 62 113.811 -2.879 -3.015 1.00 0.00 O ATOM 999 CB ASP A 62 111.094 -4.678 -2.367 1.00 0.00 C ATOM 1000 CG ASP A 62 109.921 -5.593 -2.681 1.00 0.00 C ATOM 1001 OD1 ASP A 62 108.988 -5.154 -3.362 1.00 0.00 O ATOM 1002 OD2 ASP A 62 109.904 -6.774 -2.251 1.00 0.00 O ATOM 0 H ASP A 62 113.023 -5.850 -3.564 1.00 0.00 H new ATOM 0 HA ASP A 62 111.106 -3.917 -4.377 1.00 0.00 H new ATOM 0 HB2 ASP A 62 111.803 -5.224 -1.745 1.00 0.00 H new ATOM 0 HB3 ASP A 62 110.731 -3.838 -1.775 1.00 0.00 H new ATOM 1007 N VAL A 63 111.876 -1.806 -3.095 1.00 0.00 N ATOM 1008 CA VAL A 63 112.412 -0.586 -2.576 1.00 0.00 C ATOM 1009 C VAL A 63 111.516 -0.054 -1.475 1.00 0.00 C ATOM 1010 O VAL A 63 110.308 0.120 -1.662 1.00 0.00 O ATOM 1011 CB VAL A 63 112.784 0.475 -3.685 1.00 0.00 C ATOM 1012 CG1 VAL A 63 111.718 0.591 -4.724 1.00 0.00 C ATOM 1013 CG2 VAL A 63 113.079 1.852 -3.099 1.00 0.00 C ATOM 0 H VAL A 63 110.896 -1.748 -3.372 1.00 0.00 H new ATOM 0 HA VAL A 63 113.379 -0.811 -2.127 1.00 0.00 H new ATOM 0 HB VAL A 63 113.694 0.103 -4.155 1.00 0.00 H new ATOM 0 HG11 VAL A 63 112.014 1.331 -5.468 1.00 0.00 H new ATOM 0 HG12 VAL A 63 111.576 -0.375 -5.209 1.00 0.00 H new ATOM 0 HG13 VAL A 63 110.785 0.901 -4.254 1.00 0.00 H new ATOM 0 HG21 VAL A 63 113.329 2.544 -3.903 1.00 0.00 H new ATOM 0 HG22 VAL A 63 112.200 2.217 -2.567 1.00 0.00 H new ATOM 0 HG23 VAL A 63 113.919 1.781 -2.407 1.00 0.00 H new ATOM 1023 N ILE A 64 112.123 0.141 -0.328 1.00 0.00 N ATOM 1024 CA ILE A 64 111.479 0.548 0.884 1.00 0.00 C ATOM 1025 C ILE A 64 111.096 2.016 0.821 1.00 0.00 C ATOM 1026 O ILE A 64 112.005 2.945 0.799 1.00 0.00 O ATOM 1027 CB ILE A 64 112.369 0.300 2.134 1.00 0.00 C ATOM 1028 CG1 ILE A 64 112.734 -1.172 2.275 1.00 0.00 C ATOM 1029 CG2 ILE A 64 111.700 0.796 3.408 1.00 0.00 C ATOM 1030 CD1 ILE A 64 111.543 -2.103 2.472 1.00 0.00 C ATOM 0 H ILE A 64 113.129 0.012 -0.217 1.00 0.00 H new ATOM 0 HA ILE A 64 110.581 -0.062 0.982 1.00 0.00 H new ATOM 0 HB ILE A 64 113.286 0.871 1.985 1.00 0.00 H new ATOM 0 HG12 ILE A 64 113.280 -1.485 1.385 1.00 0.00 H new ATOM 0 HG13 ILE A 64 113.412 -1.286 3.121 1.00 0.00 H new ATOM 0 HG21 ILE A 64 112.353 0.605 4.260 1.00 0.00 H new ATOM 0 HG22 ILE A 64 111.513 1.867 3.327 1.00 0.00 H new ATOM 0 HG23 ILE A 64 110.755 0.272 3.550 1.00 0.00 H new ATOM 0 HD11 ILE A 64 111.895 -3.130 2.563 1.00 0.00 H new ATOM 0 HD12 ILE A 64 111.007 -1.822 3.379 1.00 0.00 H new ATOM 0 HD13 ILE A 64 110.874 -2.024 1.615 1.00 0.00 H new ATOM 1042 N VAL A 65 109.772 2.210 0.806 1.00 0.00 N ATOM 1043 CA VAL A 65 109.132 3.490 0.696 1.00 0.00 C ATOM 1044 C VAL A 65 108.550 3.924 2.051 1.00 0.00 C ATOM 1045 O VAL A 65 108.855 4.989 2.544 1.00 0.00 O ATOM 1046 CB VAL A 65 107.967 3.418 -0.336 1.00 0.00 C ATOM 1047 CG1 VAL A 65 107.338 4.773 -0.558 1.00 0.00 C ATOM 1048 CG2 VAL A 65 108.430 2.827 -1.652 1.00 0.00 C ATOM 0 H VAL A 65 109.108 1.439 0.874 1.00 0.00 H new ATOM 0 HA VAL A 65 109.881 4.212 0.370 1.00 0.00 H new ATOM 0 HB VAL A 65 107.208 2.759 0.085 1.00 0.00 H new ATOM 0 HG11 VAL A 65 106.529 4.684 -1.284 1.00 0.00 H new ATOM 0 HG12 VAL A 65 106.940 5.148 0.385 1.00 0.00 H new ATOM 0 HG13 VAL A 65 108.090 5.466 -0.936 1.00 0.00 H new ATOM 0 HG21 VAL A 65 107.593 2.791 -2.349 1.00 0.00 H new ATOM 0 HG22 VAL A 65 109.224 3.446 -2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 65 108.807 1.818 -1.485 1.00 0.00 H new ATOM 1058 N SER A 66 107.722 3.093 2.646 1.00 0.00 N ATOM 1059 CA SER A 66 107.051 3.467 3.879 1.00 0.00 C ATOM 1060 C SER A 66 106.828 2.240 4.777 1.00 0.00 C ATOM 1061 O SER A 66 106.844 1.101 4.301 1.00 0.00 O ATOM 1062 CB SER A 66 105.727 4.205 3.543 1.00 0.00 C ATOM 1063 OG SER A 66 104.973 4.540 4.696 1.00 0.00 O ATOM 0 H SER A 66 107.496 2.160 2.302 1.00 0.00 H new ATOM 0 HA SER A 66 107.683 4.151 4.446 1.00 0.00 H new ATOM 0 HB2 SER A 66 105.955 5.115 2.988 1.00 0.00 H new ATOM 0 HB3 SER A 66 105.122 3.576 2.890 1.00 0.00 H new ATOM 0 HG SER A 66 104.065 4.183 4.608 1.00 0.00 H new ATOM 1069 N VAL A 67 106.647 2.475 6.065 1.00 0.00 N ATOM 1070 CA VAL A 67 106.454 1.418 7.029 1.00 0.00 C ATOM 1071 C VAL A 67 105.383 1.846 8.076 1.00 0.00 C ATOM 1072 O VAL A 67 105.683 2.417 9.129 1.00 0.00 O ATOM 1073 CB VAL A 67 107.824 0.961 7.664 1.00 0.00 C ATOM 1074 CG1 VAL A 67 108.572 2.089 8.349 1.00 0.00 C ATOM 1075 CG2 VAL A 67 107.645 -0.206 8.597 1.00 0.00 C ATOM 0 H VAL A 67 106.631 3.412 6.469 1.00 0.00 H new ATOM 0 HA VAL A 67 106.066 0.532 6.527 1.00 0.00 H new ATOM 0 HB VAL A 67 108.443 0.638 6.827 1.00 0.00 H new ATOM 0 HG11 VAL A 67 109.505 1.708 8.764 1.00 0.00 H new ATOM 0 HG12 VAL A 67 108.791 2.873 7.624 1.00 0.00 H new ATOM 0 HG13 VAL A 67 107.958 2.498 9.152 1.00 0.00 H new ATOM 0 HG21 VAL A 67 108.611 -0.490 9.013 1.00 0.00 H new ATOM 0 HG22 VAL A 67 106.970 0.075 9.405 1.00 0.00 H new ATOM 0 HG23 VAL A 67 107.224 -1.049 8.049 1.00 0.00 H new ATOM 1085 N ASN A 68 104.141 1.527 7.737 1.00 0.00 N ATOM 1086 CA ASN A 68 102.901 1.945 8.436 1.00 0.00 C ATOM 1087 C ASN A 68 102.835 3.404 8.905 1.00 0.00 C ATOM 1088 O ASN A 68 102.362 4.286 8.187 1.00 0.00 O ATOM 1089 CB ASN A 68 102.292 0.925 9.477 1.00 0.00 C ATOM 1090 CG ASN A 68 103.113 0.563 10.721 1.00 0.00 C ATOM 1091 OD1 ASN A 68 103.982 1.302 11.189 1.00 0.00 O ATOM 1092 ND2 ASN A 68 102.782 -0.556 11.306 1.00 0.00 N ATOM 0 H ASN A 68 103.945 0.939 6.927 1.00 0.00 H new ATOM 0 HA ASN A 68 102.208 1.905 7.596 1.00 0.00 H new ATOM 0 HB2 ASN A 68 101.338 1.329 9.817 1.00 0.00 H new ATOM 0 HB3 ASN A 68 102.074 -0.001 8.944 1.00 0.00 H new ATOM 0 HD21 ASN A 68 103.246 -0.836 12.170 1.00 0.00 H new ATOM 0 HD22 ASN A 68 102.060 -1.150 10.899 1.00 0.00 H new ATOM 1099 N ASP A 69 103.292 3.637 10.075 1.00 0.00 N ATOM 1100 CA ASP A 69 103.230 4.940 10.721 1.00 0.00 C ATOM 1101 C ASP A 69 104.495 5.747 10.487 1.00 0.00 C ATOM 1102 O ASP A 69 104.457 6.979 10.387 1.00 0.00 O ATOM 1103 CB ASP A 69 102.975 4.752 12.220 1.00 0.00 C ATOM 1104 CG ASP A 69 103.063 6.034 13.017 1.00 0.00 C ATOM 1105 OD1 ASP A 69 102.096 6.830 12.996 1.00 0.00 O ATOM 1106 OD2 ASP A 69 104.100 6.253 13.691 1.00 0.00 O ATOM 0 H ASP A 69 103.738 2.921 10.648 1.00 0.00 H new ATOM 0 HA ASP A 69 102.408 5.504 10.280 1.00 0.00 H new ATOM 0 HB2 ASP A 69 101.986 4.315 12.359 1.00 0.00 H new ATOM 0 HB3 ASP A 69 103.697 4.038 12.616 1.00 0.00 H new ATOM 1111 N THR A 70 105.588 5.066 10.356 1.00 0.00 N ATOM 1112 CA THR A 70 106.851 5.714 10.201 1.00 0.00 C ATOM 1113 C THR A 70 107.177 5.931 8.722 1.00 0.00 C ATOM 1114 O THR A 70 107.074 5.017 7.880 1.00 0.00 O ATOM 1115 CB THR A 70 107.961 4.920 10.920 1.00 0.00 C ATOM 1116 OG1 THR A 70 107.621 4.795 12.317 1.00 0.00 O ATOM 1117 CG2 THR A 70 109.316 5.610 10.792 1.00 0.00 C ATOM 0 H THR A 70 105.631 4.047 10.353 1.00 0.00 H new ATOM 0 HA THR A 70 106.794 6.698 10.667 1.00 0.00 H new ATOM 0 HB THR A 70 108.036 3.938 10.454 1.00 0.00 H new ATOM 0 HG1 THR A 70 108.321 4.290 12.780 1.00 0.00 H new ATOM 0 HG21 THR A 70 110.074 5.023 11.310 1.00 0.00 H new ATOM 0 HG22 THR A 70 109.582 5.697 9.739 1.00 0.00 H new ATOM 0 HG23 THR A 70 109.261 6.604 11.236 1.00 0.00 H new ATOM 1125 N CYS A 71 107.561 7.131 8.417 1.00 0.00 N ATOM 1126 CA CYS A 71 107.894 7.513 7.093 1.00 0.00 C ATOM 1127 C CYS A 71 109.369 7.232 6.874 1.00 0.00 C ATOM 1128 O CYS A 71 110.219 8.087 7.077 1.00 0.00 O ATOM 1129 CB CYS A 71 107.581 9.001 6.889 1.00 0.00 C ATOM 1130 SG CYS A 71 107.710 9.580 5.178 1.00 0.00 S ATOM 0 H CYS A 71 107.651 7.883 9.100 1.00 0.00 H new ATOM 0 HA CYS A 71 107.307 6.946 6.370 1.00 0.00 H new ATOM 0 HB2 CYS A 71 106.571 9.197 7.248 1.00 0.00 H new ATOM 0 HB3 CYS A 71 108.259 9.588 7.508 1.00 0.00 H new ATOM 0 HG CYS A 71 107.423 10.847 5.126 1.00 0.00 H new ATOM 1136 N VAL A 72 109.666 6.013 6.476 1.00 0.00 N ATOM 1137 CA VAL A 72 111.040 5.591 6.217 1.00 0.00 C ATOM 1138 C VAL A 72 111.479 6.078 4.807 1.00 0.00 C ATOM 1139 O VAL A 72 112.599 5.830 4.334 1.00 0.00 O ATOM 1140 CB VAL A 72 111.169 4.047 6.371 1.00 0.00 C ATOM 1141 CG1 VAL A 72 110.336 3.313 5.350 1.00 0.00 C ATOM 1142 CG2 VAL A 72 112.614 3.580 6.351 1.00 0.00 C ATOM 0 H VAL A 72 108.970 5.284 6.321 1.00 0.00 H new ATOM 0 HA VAL A 72 111.709 6.043 6.949 1.00 0.00 H new ATOM 0 HB VAL A 72 110.774 3.800 7.356 1.00 0.00 H new ATOM 0 HG11 VAL A 72 110.453 2.238 5.490 1.00 0.00 H new ATOM 0 HG12 VAL A 72 109.287 3.583 5.474 1.00 0.00 H new ATOM 0 HG13 VAL A 72 110.665 3.586 4.347 1.00 0.00 H new ATOM 0 HG21 VAL A 72 112.648 2.496 6.462 1.00 0.00 H new ATOM 0 HG22 VAL A 72 113.075 3.862 5.404 1.00 0.00 H new ATOM 0 HG23 VAL A 72 113.158 4.046 7.173 1.00 0.00 H new ATOM 1152 N LEU A 73 110.567 6.776 4.170 1.00 0.00 N ATOM 1153 CA LEU A 73 110.764 7.403 2.900 1.00 0.00 C ATOM 1154 C LEU A 73 111.886 8.409 3.044 1.00 0.00 C ATOM 1155 O LEU A 73 111.739 9.431 3.746 1.00 0.00 O ATOM 1156 CB LEU A 73 109.454 8.111 2.592 1.00 0.00 C ATOM 1157 CG LEU A 73 109.244 8.695 1.224 1.00 0.00 C ATOM 1158 CD1 LEU A 73 109.367 7.618 0.171 1.00 0.00 C ATOM 1159 CD2 LEU A 73 107.866 9.304 1.189 1.00 0.00 C ATOM 0 H LEU A 73 109.630 6.924 4.546 1.00 0.00 H new ATOM 0 HA LEU A 73 111.026 6.701 2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 73 108.646 7.402 2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 73 109.339 8.918 3.315 1.00 0.00 H new ATOM 0 HG LEU A 73 109.998 9.454 1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 73 109.213 8.055 -0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 73 110.361 7.173 0.220 1.00 0.00 H new ATOM 0 HD13 LEU A 73 108.616 6.848 0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 73 107.685 9.737 0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 73 107.122 8.533 1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 73 107.793 10.083 1.948 1.00 0.00 H new ATOM 1171 N GLY A 74 112.998 8.106 2.398 1.00 0.00 N ATOM 1172 CA GLY A 74 114.167 8.940 2.462 1.00 0.00 C ATOM 1173 C GLY A 74 114.693 9.087 3.870 1.00 0.00 C ATOM 1174 O GLY A 74 115.092 10.181 4.278 1.00 0.00 O ATOM 0 H GLY A 74 113.108 7.275 1.817 1.00 0.00 H new ATOM 0 HA2 GLY A 74 114.947 8.517 1.828 1.00 0.00 H new ATOM 0 HA3 GLY A 74 113.929 9.925 2.061 1.00 0.00 H new ATOM 1178 N HIS A 75 114.645 8.014 4.624 1.00 0.00 N ATOM 1179 CA HIS A 75 115.114 8.022 5.982 1.00 0.00 C ATOM 1180 C HIS A 75 116.610 7.870 5.965 1.00 0.00 C ATOM 1181 O HIS A 75 117.143 7.027 5.250 1.00 0.00 O ATOM 1182 CB HIS A 75 114.515 6.859 6.751 1.00 0.00 C ATOM 1183 CG HIS A 75 113.938 7.214 8.077 1.00 0.00 C ATOM 1184 ND1 HIS A 75 112.826 8.004 8.263 1.00 0.00 N ATOM 1185 CD2 HIS A 75 114.338 6.853 9.294 1.00 0.00 C ATOM 1186 CE1 HIS A 75 112.599 8.094 9.568 1.00 0.00 C ATOM 1187 NE2 HIS A 75 113.494 7.409 10.248 1.00 0.00 N ATOM 0 H HIS A 75 114.280 7.115 4.311 1.00 0.00 H new ATOM 0 HA HIS A 75 114.821 8.955 6.463 1.00 0.00 H new ATOM 0 HB2 HIS A 75 113.734 6.403 6.142 1.00 0.00 H new ATOM 0 HB3 HIS A 75 115.287 6.103 6.898 1.00 0.00 H new ATOM 0 HD1 HIS A 75 112.273 8.443 7.527 1.00 0.00 H new ATOM 0 HD2 HIS A 75 115.189 6.224 9.508 1.00 0.00 H new ATOM 0 HE1 HIS A 75 111.789 8.654 10.012 1.00 0.00 H new ATOM 1195 N THR A 76 117.263 8.695 6.727 1.00 0.00 N ATOM 1196 CA THR A 76 118.704 8.702 6.845 1.00 0.00 C ATOM 1197 C THR A 76 119.202 7.368 7.419 1.00 0.00 C ATOM 1198 O THR A 76 118.505 6.806 8.263 1.00 0.00 O ATOM 1199 CB THR A 76 119.093 9.836 7.818 1.00 0.00 C ATOM 1200 OG1 THR A 76 118.540 11.064 7.365 1.00 0.00 O ATOM 1201 CG2 THR A 76 120.594 9.989 7.989 1.00 0.00 C ATOM 0 H THR A 76 116.804 9.402 7.301 1.00 0.00 H new ATOM 0 HA THR A 76 119.152 8.850 5.862 1.00 0.00 H new ATOM 0 HB THR A 76 118.688 9.567 8.794 1.00 0.00 H new ATOM 0 HG1 THR A 76 118.786 11.782 7.985 1.00 0.00 H new ATOM 0 HG21 THR A 76 120.800 10.802 8.685 1.00 0.00 H new ATOM 0 HG22 THR A 76 121.012 9.062 8.381 1.00 0.00 H new ATOM 0 HG23 THR A 76 121.049 10.213 7.024 1.00 0.00 H new ATOM 1209 N HIS A 77 120.377 6.880 6.987 1.00 0.00 N ATOM 1210 CA HIS A 77 120.946 5.605 7.478 1.00 0.00 C ATOM 1211 C HIS A 77 120.863 5.485 8.976 1.00 0.00 C ATOM 1212 O HIS A 77 120.286 4.524 9.483 1.00 0.00 O ATOM 1213 CB HIS A 77 122.439 5.509 7.056 1.00 0.00 C ATOM 1214 CG HIS A 77 123.316 4.546 7.877 1.00 0.00 C ATOM 1215 ND1 HIS A 77 122.965 3.244 8.223 1.00 0.00 N ATOM 1216 CD2 HIS A 77 124.517 4.766 8.470 1.00 0.00 C ATOM 1217 CE1 HIS A 77 123.935 2.751 8.997 1.00 0.00 C ATOM 1218 NE2 HIS A 77 124.900 3.629 9.174 1.00 0.00 N ATOM 0 H HIS A 77 120.958 7.351 6.293 1.00 0.00 H new ATOM 0 HA HIS A 77 120.361 4.797 7.038 1.00 0.00 H new ATOM 0 HB2 HIS A 77 122.481 5.204 6.010 1.00 0.00 H new ATOM 0 HB3 HIS A 77 122.877 6.506 7.115 1.00 0.00 H new ATOM 0 HD1 HIS A 77 122.118 2.754 7.936 1.00 0.00 H new ATOM 0 HD2 HIS A 77 125.087 5.681 8.405 1.00 0.00 H new ATOM 0 HE1 HIS A 77 123.929 1.759 9.423 1.00 0.00 H new ATOM 1226 N ALA A 78 121.340 6.483 9.649 1.00 0.00 N ATOM 1227 CA ALA A 78 121.421 6.471 11.091 1.00 0.00 C ATOM 1228 C ALA A 78 120.040 6.367 11.718 1.00 0.00 C ATOM 1229 O ALA A 78 119.854 5.717 12.743 1.00 0.00 O ATOM 1230 CB ALA A 78 122.146 7.705 11.574 1.00 0.00 C ATOM 0 H ALA A 78 121.689 7.339 9.219 1.00 0.00 H new ATOM 0 HA ALA A 78 121.984 5.591 11.401 1.00 0.00 H new ATOM 0 HB1 ALA A 78 122.204 7.690 12.662 1.00 0.00 H new ATOM 0 HB2 ALA A 78 123.153 7.722 11.157 1.00 0.00 H new ATOM 0 HB3 ALA A 78 121.605 8.595 11.251 1.00 0.00 H new ATOM 1236 N GLN A 79 119.071 6.932 11.048 1.00 0.00 N ATOM 1237 CA GLN A 79 117.736 6.969 11.545 1.00 0.00 C ATOM 1238 C GLN A 79 117.036 5.649 11.285 1.00 0.00 C ATOM 1239 O GLN A 79 116.421 5.071 12.181 1.00 0.00 O ATOM 1240 CB GLN A 79 116.983 8.116 10.898 1.00 0.00 C ATOM 1241 CG GLN A 79 117.586 9.481 11.187 1.00 0.00 C ATOM 1242 CD GLN A 79 117.709 9.767 12.666 1.00 0.00 C ATOM 1243 OE1 GLN A 79 116.913 9.306 13.478 1.00 0.00 O ATOM 1244 NE2 GLN A 79 118.722 10.496 13.025 1.00 0.00 N ATOM 0 H GLN A 79 119.194 7.379 10.139 1.00 0.00 H new ATOM 0 HA GLN A 79 117.760 7.129 12.623 1.00 0.00 H new ATOM 0 HB2 GLN A 79 116.958 7.960 9.819 1.00 0.00 H new ATOM 0 HB3 GLN A 79 115.950 8.103 11.246 1.00 0.00 H new ATOM 0 HG2 GLN A 79 118.572 9.542 10.727 1.00 0.00 H new ATOM 0 HG3 GLN A 79 116.969 10.251 10.723 1.00 0.00 H new ATOM 0 HE21 GLN A 79 119.362 10.862 12.320 1.00 0.00 H new ATOM 0 HE22 GLN A 79 118.877 10.703 14.012 1.00 0.00 H new ATOM 1253 N VAL A 80 117.160 5.169 10.064 1.00 0.00 N ATOM 1254 CA VAL A 80 116.551 3.924 9.661 1.00 0.00 C ATOM 1255 C VAL A 80 117.140 2.730 10.400 1.00 0.00 C ATOM 1256 O VAL A 80 116.391 1.877 10.884 1.00 0.00 O ATOM 1257 CB VAL A 80 116.553 3.720 8.119 1.00 0.00 C ATOM 1258 CG1 VAL A 80 117.955 3.661 7.551 1.00 0.00 C ATOM 1259 CG2 VAL A 80 115.758 2.480 7.764 1.00 0.00 C ATOM 0 H VAL A 80 117.687 5.634 9.325 1.00 0.00 H new ATOM 0 HA VAL A 80 115.503 3.992 9.954 1.00 0.00 H new ATOM 0 HB VAL A 80 116.075 4.587 7.663 1.00 0.00 H new ATOM 0 HG11 VAL A 80 117.905 3.518 6.472 1.00 0.00 H new ATOM 0 HG12 VAL A 80 118.476 4.593 7.769 1.00 0.00 H new ATOM 0 HG13 VAL A 80 118.496 2.829 8.003 1.00 0.00 H new ATOM 0 HG21 VAL A 80 115.763 2.342 6.683 1.00 0.00 H new ATOM 0 HG22 VAL A 80 116.208 1.610 8.243 1.00 0.00 H new ATOM 0 HG23 VAL A 80 114.731 2.595 8.111 1.00 0.00 H new ATOM 1269 N VAL A 81 118.459 2.702 10.563 1.00 0.00 N ATOM 1270 CA VAL A 81 119.086 1.592 11.271 1.00 0.00 C ATOM 1271 C VAL A 81 118.656 1.606 12.726 1.00 0.00 C ATOM 1272 O VAL A 81 118.357 0.578 13.294 1.00 0.00 O ATOM 1273 CB VAL A 81 120.652 1.537 11.120 1.00 0.00 C ATOM 1274 CG1 VAL A 81 121.349 2.736 11.747 1.00 0.00 C ATOM 1275 CG2 VAL A 81 121.222 0.244 11.689 1.00 0.00 C ATOM 0 H VAL A 81 119.102 3.417 10.223 1.00 0.00 H new ATOM 0 HA VAL A 81 118.735 0.674 10.800 1.00 0.00 H new ATOM 0 HB VAL A 81 120.850 1.569 10.049 1.00 0.00 H new ATOM 0 HG11 VAL A 81 122.426 2.642 11.611 1.00 0.00 H new ATOM 0 HG12 VAL A 81 121.001 3.651 11.267 1.00 0.00 H new ATOM 0 HG13 VAL A 81 121.119 2.775 12.812 1.00 0.00 H new ATOM 0 HG21 VAL A 81 122.305 0.240 11.568 1.00 0.00 H new ATOM 0 HG22 VAL A 81 120.975 0.173 12.748 1.00 0.00 H new ATOM 0 HG23 VAL A 81 120.794 -0.607 11.158 1.00 0.00 H new ATOM 1285 N LYS A 82 118.537 2.792 13.278 1.00 0.00 N ATOM 1286 CA LYS A 82 118.099 2.963 14.632 1.00 0.00 C ATOM 1287 C LYS A 82 116.697 2.362 14.875 1.00 0.00 C ATOM 1288 O LYS A 82 116.499 1.643 15.847 1.00 0.00 O ATOM 1289 CB LYS A 82 118.181 4.447 14.988 1.00 0.00 C ATOM 1290 CG LYS A 82 117.617 4.856 16.342 1.00 0.00 C ATOM 1291 CD LYS A 82 116.219 5.464 16.229 1.00 0.00 C ATOM 1292 CE LYS A 82 116.242 6.779 15.448 1.00 0.00 C ATOM 1293 NZ LYS A 82 114.936 7.461 15.462 1.00 0.00 N ATOM 0 H LYS A 82 118.744 3.665 12.793 1.00 0.00 H new ATOM 0 HA LYS A 82 118.758 2.407 15.298 1.00 0.00 H new ATOM 0 HB2 LYS A 82 119.228 4.749 14.950 1.00 0.00 H new ATOM 0 HB3 LYS A 82 117.658 5.012 14.216 1.00 0.00 H new ATOM 0 HG2 LYS A 82 117.580 3.985 16.996 1.00 0.00 H new ATOM 0 HG3 LYS A 82 118.288 5.577 16.810 1.00 0.00 H new ATOM 0 HD2 LYS A 82 115.552 4.757 15.735 1.00 0.00 H new ATOM 0 HD3 LYS A 82 115.815 5.639 17.226 1.00 0.00 H new ATOM 0 HE2 LYS A 82 116.998 7.439 15.874 1.00 0.00 H new ATOM 0 HE3 LYS A 82 116.535 6.581 14.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 115.001 8.346 14.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 114.218 6.844 15.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 114.666 7.675 16.443 1.00 0.00 H new ATOM 1307 N ILE A 83 115.757 2.609 13.981 1.00 0.00 N ATOM 1308 CA ILE A 83 114.395 2.144 14.187 1.00 0.00 C ATOM 1309 C ILE A 83 114.330 0.653 13.966 1.00 0.00 C ATOM 1310 O ILE A 83 113.921 -0.129 14.842 1.00 0.00 O ATOM 1311 CB ILE A 83 113.400 2.855 13.236 1.00 0.00 C ATOM 1312 CG1 ILE A 83 113.425 4.362 13.492 1.00 0.00 C ATOM 1313 CG2 ILE A 83 111.983 2.296 13.406 1.00 0.00 C ATOM 1314 CD1 ILE A 83 112.506 5.154 12.599 1.00 0.00 C ATOM 0 H ILE A 83 115.908 3.124 13.113 1.00 0.00 H new ATOM 0 HA ILE A 83 114.109 2.382 15.212 1.00 0.00 H new ATOM 0 HB ILE A 83 113.707 2.668 12.207 1.00 0.00 H new ATOM 0 HG12 ILE A 83 113.153 4.548 14.531 1.00 0.00 H new ATOM 0 HG13 ILE A 83 114.444 4.725 13.360 1.00 0.00 H new ATOM 0 HG21 ILE A 83 111.304 2.812 12.727 1.00 0.00 H new ATOM 0 HG22 ILE A 83 111.983 1.230 13.178 1.00 0.00 H new ATOM 0 HG23 ILE A 83 111.653 2.448 14.434 1.00 0.00 H new ATOM 0 HD11 ILE A 83 112.583 6.213 12.845 1.00 0.00 H new ATOM 0 HD12 ILE A 83 112.790 5.002 11.558 1.00 0.00 H new ATOM 0 HD13 ILE A 83 111.479 4.821 12.747 1.00 0.00 H new ATOM 1326 N PHE A 84 114.855 0.275 12.839 1.00 0.00 N ATOM 1327 CA PHE A 84 114.805 -1.063 12.357 1.00 0.00 C ATOM 1328 C PHE A 84 115.595 -2.040 13.221 1.00 0.00 C ATOM 1329 O PHE A 84 115.260 -3.213 13.299 1.00 0.00 O ATOM 1330 CB PHE A 84 115.226 -1.086 10.896 1.00 0.00 C ATOM 1331 CG PHE A 84 114.139 -0.633 9.929 1.00 0.00 C ATOM 1332 CD1 PHE A 84 113.609 0.647 9.989 1.00 0.00 C ATOM 1333 CD2 PHE A 84 113.643 -1.501 8.974 1.00 0.00 C ATOM 1334 CE1 PHE A 84 112.616 1.050 9.119 1.00 0.00 C ATOM 1335 CE2 PHE A 84 112.648 -1.104 8.099 1.00 0.00 C ATOM 1336 CZ PHE A 84 112.135 0.171 8.171 1.00 0.00 C ATOM 0 H PHE A 84 115.345 0.914 12.213 1.00 0.00 H new ATOM 0 HA PHE A 84 113.776 -1.416 12.426 1.00 0.00 H new ATOM 0 HB2 PHE A 84 116.099 -0.446 10.770 1.00 0.00 H new ATOM 0 HB3 PHE A 84 115.533 -2.098 10.633 1.00 0.00 H new ATOM 0 HD1 PHE A 84 113.980 1.341 10.729 1.00 0.00 H new ATOM 0 HD2 PHE A 84 114.038 -2.504 8.910 1.00 0.00 H new ATOM 0 HE1 PHE A 84 112.216 2.052 9.180 1.00 0.00 H new ATOM 0 HE2 PHE A 84 112.273 -1.795 7.359 1.00 0.00 H new ATOM 0 HZ PHE A 84 111.359 0.482 7.488 1.00 0.00 H new ATOM 1346 N GLN A 85 116.637 -1.562 13.861 1.00 0.00 N ATOM 1347 CA GLN A 85 117.397 -2.392 14.767 1.00 0.00 C ATOM 1348 C GLN A 85 116.821 -2.408 16.186 1.00 0.00 C ATOM 1349 O GLN A 85 117.039 -3.365 16.925 1.00 0.00 O ATOM 1350 CB GLN A 85 118.878 -2.036 14.757 1.00 0.00 C ATOM 1351 CG GLN A 85 119.563 -2.345 13.440 1.00 0.00 C ATOM 1352 CD GLN A 85 119.489 -3.805 13.073 1.00 0.00 C ATOM 1353 OE1 GLN A 85 120.352 -4.584 13.442 1.00 0.00 O ATOM 1354 NE2 GLN A 85 118.472 -4.180 12.347 1.00 0.00 N ATOM 0 H GLN A 85 116.977 -0.605 13.772 1.00 0.00 H new ATOM 0 HA GLN A 85 117.307 -3.412 14.393 1.00 0.00 H new ATOM 0 HB2 GLN A 85 118.990 -0.974 14.976 1.00 0.00 H new ATOM 0 HB3 GLN A 85 119.380 -2.581 15.556 1.00 0.00 H new ATOM 0 HG2 GLN A 85 119.104 -1.752 12.649 1.00 0.00 H new ATOM 0 HG3 GLN A 85 120.608 -2.042 13.499 1.00 0.00 H new ATOM 0 HE21 GLN A 85 117.771 -3.497 12.059 1.00 0.00 H new ATOM 0 HE22 GLN A 85 118.377 -5.156 12.067 1.00 0.00 H new ATOM 1363 N SER A 86 116.071 -1.373 16.566 1.00 0.00 N ATOM 1364 CA SER A 86 115.461 -1.340 17.901 1.00 0.00 C ATOM 1365 C SER A 86 114.185 -2.189 17.938 1.00 0.00 C ATOM 1366 O SER A 86 113.617 -2.448 19.020 1.00 0.00 O ATOM 1367 CB SER A 86 115.173 0.096 18.339 1.00 0.00 C ATOM 1368 OG SER A 86 116.370 0.863 18.343 1.00 0.00 O ATOM 0 H SER A 86 115.872 -0.560 15.983 1.00 0.00 H new ATOM 0 HA SER A 86 116.174 -1.768 18.606 1.00 0.00 H new ATOM 0 HB2 SER A 86 114.446 0.549 17.666 1.00 0.00 H new ATOM 0 HB3 SER A 86 114.730 0.097 19.335 1.00 0.00 H new ATOM 0 HG SER A 86 116.638 1.056 17.420 1.00 0.00 H new ATOM 1374 N ILE A 87 113.732 -2.577 16.754 1.00 0.00 N ATOM 1375 CA ILE A 87 112.608 -3.457 16.551 1.00 0.00 C ATOM 1376 C ILE A 87 112.651 -4.730 17.437 1.00 0.00 C ATOM 1377 O ILE A 87 113.708 -5.315 17.651 1.00 0.00 O ATOM 1378 CB ILE A 87 112.533 -3.878 15.064 1.00 0.00 C ATOM 1379 CG1 ILE A 87 112.056 -2.729 14.205 1.00 0.00 C ATOM 1380 CG2 ILE A 87 111.696 -5.113 14.826 1.00 0.00 C ATOM 1381 CD1 ILE A 87 111.660 -3.160 12.826 1.00 0.00 C ATOM 0 H ILE A 87 114.159 -2.271 15.880 1.00 0.00 H new ATOM 0 HA ILE A 87 111.721 -2.894 16.842 1.00 0.00 H new ATOM 0 HB ILE A 87 113.549 -4.144 14.773 1.00 0.00 H new ATOM 0 HG12 ILE A 87 111.206 -2.248 14.689 1.00 0.00 H new ATOM 0 HG13 ILE A 87 112.846 -1.982 14.134 1.00 0.00 H new ATOM 0 HG21 ILE A 87 111.689 -5.348 13.762 1.00 0.00 H new ATOM 0 HG22 ILE A 87 112.118 -5.951 15.380 1.00 0.00 H new ATOM 0 HG23 ILE A 87 110.676 -4.932 15.164 1.00 0.00 H new ATOM 0 HD11 ILE A 87 111.326 -2.293 12.256 1.00 0.00 H new ATOM 0 HD12 ILE A 87 112.516 -3.615 12.327 1.00 0.00 H new ATOM 0 HD13 ILE A 87 110.849 -3.886 12.890 1.00 0.00 H new ATOM 1393 N PRO A 88 111.498 -5.146 17.968 1.00 0.00 N ATOM 1394 CA PRO A 88 111.355 -6.369 18.733 1.00 0.00 C ATOM 1395 C PRO A 88 110.792 -7.504 17.870 1.00 0.00 C ATOM 1396 O PRO A 88 109.997 -7.285 16.951 1.00 0.00 O ATOM 1397 CB PRO A 88 110.329 -5.962 19.783 1.00 0.00 C ATOM 1398 CG PRO A 88 109.552 -4.806 19.187 1.00 0.00 C ATOM 1399 CD PRO A 88 110.214 -4.460 17.874 1.00 0.00 C ATOM 0 HA PRO A 88 112.298 -6.740 19.135 1.00 0.00 H new ATOM 0 HB2 PRO A 88 109.667 -6.794 20.023 1.00 0.00 H new ATOM 0 HB3 PRO A 88 110.818 -5.665 20.711 1.00 0.00 H new ATOM 0 HG2 PRO A 88 108.509 -5.081 19.032 1.00 0.00 H new ATOM 0 HG3 PRO A 88 109.559 -3.949 19.860 1.00 0.00 H new ATOM 0 HD2 PRO A 88 109.630 -4.809 17.022 1.00 0.00 H new ATOM 0 HD3 PRO A 88 110.338 -3.384 17.755 1.00 0.00 H new ATOM 1407 N ILE A 89 111.238 -8.690 18.132 1.00 0.00 N ATOM 1408 CA ILE A 89 110.745 -9.862 17.432 1.00 0.00 C ATOM 1409 C ILE A 89 109.275 -10.110 17.842 1.00 0.00 C ATOM 1410 O ILE A 89 108.907 -9.891 19.000 1.00 0.00 O ATOM 1411 CB ILE A 89 111.567 -11.113 17.820 1.00 0.00 C ATOM 1412 CG1 ILE A 89 113.051 -10.832 17.697 1.00 0.00 C ATOM 1413 CG2 ILE A 89 111.190 -12.285 16.935 1.00 0.00 C ATOM 1414 CD1 ILE A 89 113.956 -11.908 18.233 1.00 0.00 C ATOM 0 H ILE A 89 111.952 -8.888 18.833 1.00 0.00 H new ATOM 0 HA ILE A 89 110.830 -9.688 16.359 1.00 0.00 H new ATOM 0 HB ILE A 89 111.342 -11.364 18.857 1.00 0.00 H new ATOM 0 HG12 ILE A 89 113.288 -10.672 16.645 1.00 0.00 H new ATOM 0 HG13 ILE A 89 113.272 -9.901 18.219 1.00 0.00 H new ATOM 0 HG21 ILE A 89 111.776 -13.159 17.219 1.00 0.00 H new ATOM 0 HG22 ILE A 89 110.129 -12.505 17.055 1.00 0.00 H new ATOM 0 HG23 ILE A 89 111.393 -12.035 15.894 1.00 0.00 H new ATOM 0 HD11 ILE A 89 114.996 -11.610 18.097 1.00 0.00 H new ATOM 0 HD12 ILE A 89 113.757 -12.056 19.294 1.00 0.00 H new ATOM 0 HD13 ILE A 89 113.772 -12.839 17.696 1.00 0.00 H new ATOM 1426 N GLY A 90 108.461 -10.543 16.903 1.00 0.00 N ATOM 1427 CA GLY A 90 107.088 -10.838 17.196 1.00 0.00 C ATOM 1428 C GLY A 90 106.213 -9.662 16.897 1.00 0.00 C ATOM 1429 O GLY A 90 105.029 -9.633 17.269 1.00 0.00 O ATOM 0 H GLY A 90 108.733 -10.696 15.932 1.00 0.00 H new ATOM 0 HA2 GLY A 90 106.763 -11.697 16.608 1.00 0.00 H new ATOM 0 HA3 GLY A 90 106.987 -11.114 18.246 1.00 0.00 H new ATOM 1433 N ALA A 91 106.774 -8.686 16.225 1.00 0.00 N ATOM 1434 CA ALA A 91 106.043 -7.456 15.981 1.00 0.00 C ATOM 1435 C ALA A 91 105.573 -7.380 14.518 1.00 0.00 C ATOM 1436 O ALA A 91 105.798 -8.302 13.745 1.00 0.00 O ATOM 1437 CB ALA A 91 106.872 -6.255 16.423 1.00 0.00 C ATOM 0 H ALA A 91 107.719 -8.712 15.841 1.00 0.00 H new ATOM 0 HA ALA A 91 105.135 -7.443 16.584 1.00 0.00 H new ATOM 0 HB1 ALA A 91 106.313 -5.338 16.235 1.00 0.00 H new ATOM 0 HB2 ALA A 91 107.090 -6.335 17.488 1.00 0.00 H new ATOM 0 HB3 ALA A 91 107.806 -6.232 15.862 1.00 0.00 H new ATOM 1443 N SER A 92 104.950 -6.290 14.145 1.00 0.00 N ATOM 1444 CA SER A 92 104.265 -6.198 12.851 1.00 0.00 C ATOM 1445 C SER A 92 104.269 -4.779 12.266 1.00 0.00 C ATOM 1446 O SER A 92 104.262 -3.809 13.011 1.00 0.00 O ATOM 1447 CB SER A 92 102.842 -6.712 13.054 1.00 0.00 C ATOM 1448 OG SER A 92 102.254 -6.134 14.212 1.00 0.00 O ATOM 0 H SER A 92 104.895 -5.444 14.712 1.00 0.00 H new ATOM 0 HA SER A 92 104.799 -6.804 12.119 1.00 0.00 H new ATOM 0 HB2 SER A 92 102.238 -6.476 12.178 1.00 0.00 H new ATOM 0 HB3 SER A 92 102.854 -7.798 13.150 1.00 0.00 H new ATOM 0 HG SER A 92 101.342 -6.476 14.321 1.00 0.00 H new ATOM 1454 N VAL A 93 104.344 -4.682 10.935 1.00 0.00 N ATOM 1455 CA VAL A 93 104.238 -3.405 10.197 1.00 0.00 C ATOM 1456 C VAL A 93 103.729 -3.625 8.825 1.00 0.00 C ATOM 1457 O VAL A 93 103.856 -4.712 8.287 1.00 0.00 O ATOM 1458 CB VAL A 93 105.561 -2.635 10.042 1.00 0.00 C ATOM 1459 CG1 VAL A 93 105.839 -1.720 11.205 1.00 0.00 C ATOM 1460 CG2 VAL A 93 106.721 -3.574 9.765 1.00 0.00 C ATOM 0 H VAL A 93 104.481 -5.490 10.328 1.00 0.00 H new ATOM 0 HA VAL A 93 103.558 -2.813 10.809 1.00 0.00 H new ATOM 0 HB VAL A 93 105.449 -1.990 9.171 1.00 0.00 H new ATOM 0 HG11 VAL A 93 106.784 -1.202 11.043 1.00 0.00 H new ATOM 0 HG12 VAL A 93 105.035 -0.989 11.293 1.00 0.00 H new ATOM 0 HG13 VAL A 93 105.899 -2.306 12.122 1.00 0.00 H new ATOM 0 HG21 VAL A 93 107.640 -2.997 9.661 1.00 0.00 H new ATOM 0 HG22 VAL A 93 106.826 -4.277 10.592 1.00 0.00 H new ATOM 0 HG23 VAL A 93 106.532 -4.124 8.843 1.00 0.00 H new ATOM 1470 N ASP A 94 103.192 -2.575 8.262 1.00 0.00 N ATOM 1471 CA ASP A 94 102.725 -2.562 6.917 1.00 0.00 C ATOM 1472 C ASP A 94 103.830 -1.985 6.122 1.00 0.00 C ATOM 1473 O ASP A 94 104.107 -0.787 6.216 1.00 0.00 O ATOM 1474 CB ASP A 94 101.512 -1.644 6.781 1.00 0.00 C ATOM 1475 CG ASP A 94 100.326 -2.077 7.594 1.00 0.00 C ATOM 1476 OD1 ASP A 94 99.534 -2.909 7.119 1.00 0.00 O ATOM 1477 OD2 ASP A 94 100.154 -1.582 8.721 1.00 0.00 O ATOM 0 H ASP A 94 103.068 -1.686 8.746 1.00 0.00 H new ATOM 0 HA ASP A 94 102.439 -3.563 6.593 1.00 0.00 H new ATOM 0 HB2 ASP A 94 101.797 -0.635 7.081 1.00 0.00 H new ATOM 0 HB3 ASP A 94 101.222 -1.595 5.731 1.00 0.00 H new ATOM 1482 N LEU A 95 104.477 -2.787 5.381 1.00 0.00 N ATOM 1483 CA LEU A 95 105.587 -2.342 4.646 1.00 0.00 C ATOM 1484 C LEU A 95 105.133 -1.968 3.258 1.00 0.00 C ATOM 1485 O LEU A 95 104.659 -2.813 2.489 1.00 0.00 O ATOM 1486 CB LEU A 95 106.633 -3.437 4.612 1.00 0.00 C ATOM 1487 CG LEU A 95 108.059 -2.989 4.386 1.00 0.00 C ATOM 1488 CD1 LEU A 95 108.493 -2.082 5.533 1.00 0.00 C ATOM 1489 CD2 LEU A 95 108.951 -4.200 4.312 1.00 0.00 C ATOM 0 H LEU A 95 104.253 -3.775 5.265 1.00 0.00 H new ATOM 0 HA LEU A 95 106.033 -1.463 5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 95 106.590 -3.982 5.555 1.00 0.00 H new ATOM 0 HB3 LEU A 95 106.366 -4.142 3.825 1.00 0.00 H new ATOM 0 HG LEU A 95 108.132 -2.434 3.451 1.00 0.00 H new ATOM 0 HD11 LEU A 95 109.521 -1.758 5.372 1.00 0.00 H new ATOM 0 HD12 LEU A 95 107.840 -1.210 5.574 1.00 0.00 H new ATOM 0 HD13 LEU A 95 108.428 -2.629 6.474 1.00 0.00 H new ATOM 0 HD21 LEU A 95 109.981 -3.884 4.149 1.00 0.00 H new ATOM 0 HD22 LEU A 95 108.886 -4.757 5.246 1.00 0.00 H new ATOM 0 HD23 LEU A 95 108.632 -4.837 3.487 1.00 0.00 H new ATOM 1501 N GLU A 96 105.231 -0.710 2.964 1.00 0.00 N ATOM 1502 CA GLU A 96 104.833 -0.183 1.697 1.00 0.00 C ATOM 1503 C GLU A 96 106.078 -0.064 0.858 1.00 0.00 C ATOM 1504 O GLU A 96 106.985 0.744 1.160 1.00 0.00 O ATOM 1505 CB GLU A 96 104.161 1.171 1.885 1.00 0.00 C ATOM 1506 CG GLU A 96 103.035 1.142 2.914 1.00 0.00 C ATOM 1507 CD GLU A 96 102.286 2.439 3.030 1.00 0.00 C ATOM 1508 OE1 GLU A 96 102.668 3.309 3.849 1.00 0.00 O ATOM 1509 OE2 GLU A 96 101.260 2.599 2.332 1.00 0.00 O ATOM 0 H GLU A 96 105.596 -0.009 3.608 1.00 0.00 H new ATOM 0 HA GLU A 96 104.111 -0.834 1.204 1.00 0.00 H new ATOM 0 HB2 GLU A 96 104.909 1.901 2.194 1.00 0.00 H new ATOM 0 HB3 GLU A 96 103.762 1.508 0.928 1.00 0.00 H new ATOM 0 HG2 GLU A 96 102.334 0.351 2.649 1.00 0.00 H new ATOM 0 HG3 GLU A 96 103.452 0.886 3.888 1.00 0.00 H new ATOM 1516 N LEU A 97 106.155 -0.865 -0.148 1.00 0.00 N ATOM 1517 CA LEU A 97 107.337 -0.950 -0.935 1.00 0.00 C ATOM 1518 C LEU A 97 106.999 -1.101 -2.390 1.00 0.00 C ATOM 1519 O LEU A 97 105.881 -1.487 -2.749 1.00 0.00 O ATOM 1520 CB LEU A 97 108.291 -2.064 -0.400 1.00 0.00 C ATOM 1521 CG LEU A 97 107.913 -3.577 -0.489 1.00 0.00 C ATOM 1522 CD1 LEU A 97 108.852 -4.335 0.402 1.00 0.00 C ATOM 1523 CD2 LEU A 97 106.481 -3.881 -0.074 1.00 0.00 C ATOM 0 H LEU A 97 105.399 -1.481 -0.449 1.00 0.00 H new ATOM 0 HA LEU A 97 107.889 -0.014 -0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 97 109.241 -1.944 -0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 97 108.474 -1.845 0.652 1.00 0.00 H new ATOM 0 HG LEU A 97 107.996 -3.875 -1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 97 108.613 -5.398 0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 97 109.877 -4.180 0.066 1.00 0.00 H new ATOM 0 HD13 LEU A 97 108.749 -3.978 1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 97 106.296 -4.951 -0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 97 106.328 -3.571 0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 97 105.792 -3.338 -0.721 1.00 0.00 H new ATOM 1535 N CYS A 98 107.917 -0.743 -3.214 1.00 0.00 N ATOM 1536 CA CYS A 98 107.694 -0.772 -4.611 1.00 0.00 C ATOM 1537 C CYS A 98 108.581 -1.849 -5.212 1.00 0.00 C ATOM 1538 O CYS A 98 109.772 -1.908 -4.924 1.00 0.00 O ATOM 1539 CB CYS A 98 107.997 0.613 -5.194 1.00 0.00 C ATOM 1540 SG CYS A 98 107.212 0.971 -6.772 1.00 0.00 S ATOM 0 H CYS A 98 108.844 -0.422 -2.937 1.00 0.00 H new ATOM 0 HA CYS A 98 106.656 -1.010 -4.845 1.00 0.00 H new ATOM 0 HB2 CYS A 98 107.686 1.369 -4.473 1.00 0.00 H new ATOM 0 HB3 CYS A 98 109.076 0.711 -5.313 1.00 0.00 H new ATOM 0 HG CYS A 98 107.952 0.515 -7.738 1.00 0.00 H new ATOM 1546 N ARG A 99 108.001 -2.692 -6.004 1.00 0.00 N ATOM 1547 CA ARG A 99 108.693 -3.793 -6.622 1.00 0.00 C ATOM 1548 C ARG A 99 108.951 -3.422 -8.065 1.00 0.00 C ATOM 1549 O ARG A 99 108.192 -2.646 -8.635 1.00 0.00 O ATOM 1550 CB ARG A 99 107.793 -5.028 -6.570 1.00 0.00 C ATOM 1551 CG ARG A 99 108.373 -6.290 -7.168 1.00 0.00 C ATOM 1552 CD ARG A 99 109.419 -6.882 -6.273 1.00 0.00 C ATOM 1553 NE ARG A 99 108.847 -7.219 -4.997 1.00 0.00 N ATOM 1554 CZ ARG A 99 108.289 -8.359 -4.647 1.00 0.00 C ATOM 1555 NH1 ARG A 99 108.151 -9.350 -5.522 1.00 0.00 N ATOM 1556 NH2 ARG A 99 107.877 -8.493 -3.408 1.00 0.00 N ATOM 0 H ARG A 99 107.012 -2.639 -6.249 1.00 0.00 H new ATOM 0 HA ARG A 99 109.631 -4.004 -6.109 1.00 0.00 H new ATOM 0 HB2 ARG A 99 107.539 -5.225 -5.529 1.00 0.00 H new ATOM 0 HB3 ARG A 99 106.862 -4.798 -7.088 1.00 0.00 H new ATOM 0 HG2 ARG A 99 107.577 -7.017 -7.332 1.00 0.00 H new ATOM 0 HG3 ARG A 99 108.808 -6.067 -8.142 1.00 0.00 H new ATOM 0 HD2 ARG A 99 109.843 -7.773 -6.736 1.00 0.00 H new ATOM 0 HD3 ARG A 99 110.236 -6.173 -6.138 1.00 0.00 H new ATOM 0 HE ARG A 99 108.877 -6.492 -4.282 1.00 0.00 H new ATOM 0 HH11 ARG A 99 108.480 -9.233 -6.481 1.00 0.00 H new ATOM 0 HH12 ARG A 99 107.716 -10.227 -5.235 1.00 0.00 H new ATOM 0 HH21 ARG A 99 107.993 -7.726 -2.746 1.00 0.00 H new ATOM 0 HH22 ARG A 99 107.441 -9.364 -3.107 1.00 0.00 H new ATOM 1570 N GLY A 100 109.985 -3.958 -8.655 1.00 0.00 N ATOM 1571 CA GLY A 100 110.259 -3.660 -10.035 1.00 0.00 C ATOM 1572 C GLY A 100 111.493 -2.831 -10.178 1.00 0.00 C ATOM 1573 O GLY A 100 111.794 -2.323 -11.259 1.00 0.00 O ATOM 0 H GLY A 100 110.644 -4.596 -8.209 1.00 0.00 H new ATOM 0 HA2 GLY A 100 110.376 -4.589 -10.593 1.00 0.00 H new ATOM 0 HA3 GLY A 100 109.411 -3.131 -10.470 1.00 0.00 H new ATOM 1577 N TYR A 101 112.192 -2.661 -9.090 1.00 0.00 N ATOM 1578 CA TYR A 101 113.423 -1.952 -9.094 1.00 0.00 C ATOM 1579 C TYR A 101 114.498 -3.008 -9.358 1.00 0.00 C ATOM 1580 O TYR A 101 114.615 -3.987 -8.607 1.00 0.00 O ATOM 1581 CB TYR A 101 113.622 -1.271 -7.739 1.00 0.00 C ATOM 1582 CG TYR A 101 114.422 0.011 -7.789 1.00 0.00 C ATOM 1583 CD1 TYR A 101 115.802 0.003 -7.803 1.00 0.00 C ATOM 1584 CD2 TYR A 101 113.774 1.243 -7.794 1.00 0.00 C ATOM 1585 CE1 TYR A 101 116.520 1.183 -7.816 1.00 0.00 C ATOM 1586 CE2 TYR A 101 114.483 2.426 -7.813 1.00 0.00 C ATOM 1587 CZ TYR A 101 115.854 2.393 -7.819 1.00 0.00 C ATOM 1588 OH TYR A 101 116.572 3.579 -7.818 1.00 0.00 O ATOM 0 H TYR A 101 111.914 -3.016 -8.175 1.00 0.00 H new ATOM 0 HA TYR A 101 113.459 -1.167 -9.849 1.00 0.00 H new ATOM 0 HB2 TYR A 101 112.644 -1.057 -7.308 1.00 0.00 H new ATOM 0 HB3 TYR A 101 114.121 -1.969 -7.066 1.00 0.00 H new ATOM 0 HD1 TYR A 101 116.328 -0.940 -7.804 1.00 0.00 H new ATOM 0 HD2 TYR A 101 112.694 1.273 -7.783 1.00 0.00 H new ATOM 0 HE1 TYR A 101 117.600 1.159 -7.824 1.00 0.00 H new ATOM 0 HE2 TYR A 101 113.962 3.372 -7.823 1.00 0.00 H new ATOM 0 HH TYR A 101 115.951 4.337 -7.822 1.00 0.00 H new ATOM 2091 N GLU B 158 124.453 0.251 3.141 1.00 0.00 N ATOM 2092 CA GLU B 158 123.922 -1.065 3.456 1.00 0.00 C ATOM 2093 C GLU B 158 123.494 -1.137 4.942 1.00 0.00 C ATOM 2094 O GLU B 158 124.256 -0.791 5.835 1.00 0.00 O ATOM 2095 CB GLU B 158 124.985 -2.124 3.065 1.00 0.00 C ATOM 2096 CG GLU B 158 124.585 -3.600 3.158 1.00 0.00 C ATOM 2097 CD GLU B 158 124.595 -4.161 4.561 1.00 0.00 C ATOM 2098 OE1 GLU B 158 125.634 -4.037 5.258 1.00 0.00 O ATOM 2099 OE2 GLU B 158 123.623 -4.807 4.959 1.00 0.00 O ATOM 0 HA GLU B 158 123.018 -1.270 2.883 1.00 0.00 H new ATOM 0 HB2 GLU B 158 125.296 -1.924 2.040 1.00 0.00 H new ATOM 0 HB3 GLU B 158 125.859 -1.972 3.699 1.00 0.00 H new ATOM 0 HG2 GLU B 158 123.586 -3.721 2.738 1.00 0.00 H new ATOM 0 HG3 GLU B 158 125.264 -4.188 2.540 1.00 0.00 H new ATOM 2106 N THR B 159 122.252 -1.516 5.170 1.00 0.00 N ATOM 2107 CA THR B 159 121.695 -1.692 6.508 1.00 0.00 C ATOM 2108 C THR B 159 120.969 -3.012 6.566 1.00 0.00 C ATOM 2109 O THR B 159 120.042 -3.266 5.782 1.00 0.00 O ATOM 2110 CB THR B 159 120.762 -0.484 6.948 1.00 0.00 C ATOM 2111 OG1 THR B 159 121.572 0.681 7.145 1.00 0.00 O ATOM 2112 CG2 THR B 159 119.936 -0.742 8.240 1.00 0.00 C ATOM 0 H THR B 159 121.586 -1.715 4.423 1.00 0.00 H new ATOM 0 HA THR B 159 122.516 -1.699 7.225 1.00 0.00 H new ATOM 0 HB THR B 159 120.039 -0.352 6.143 1.00 0.00 H new ATOM 0 HG1 THR B 159 121.183 1.436 6.656 1.00 0.00 H new ATOM 0 HG21 THR B 159 119.329 0.135 8.465 1.00 0.00 H new ATOM 0 HG22 THR B 159 119.287 -1.605 8.090 1.00 0.00 H new ATOM 0 HG23 THR B 159 120.613 -0.937 9.072 1.00 0.00 H new ATOM 2120 N GLN B 160 121.454 -3.867 7.415 1.00 0.00 N ATOM 2121 CA GLN B 160 120.857 -5.143 7.634 1.00 0.00 C ATOM 2122 C GLN B 160 119.676 -4.989 8.539 1.00 0.00 C ATOM 2123 O GLN B 160 119.802 -4.448 9.643 1.00 0.00 O ATOM 2124 CB GLN B 160 121.877 -6.123 8.227 1.00 0.00 C ATOM 2125 CG GLN B 160 121.297 -7.462 8.686 1.00 0.00 C ATOM 2126 CD GLN B 160 122.351 -8.368 9.291 1.00 0.00 C ATOM 2127 OE1 GLN B 160 123.346 -7.899 9.848 1.00 0.00 O ATOM 2128 NE2 GLN B 160 122.124 -9.652 9.244 1.00 0.00 N ATOM 0 H GLN B 160 122.285 -3.693 7.980 1.00 0.00 H new ATOM 0 HA GLN B 160 120.522 -5.551 6.681 1.00 0.00 H new ATOM 0 HB2 GLN B 160 122.649 -6.315 7.482 1.00 0.00 H new ATOM 0 HB3 GLN B 160 122.365 -5.646 9.076 1.00 0.00 H new ATOM 0 HG2 GLN B 160 120.511 -7.283 9.419 1.00 0.00 H new ATOM 0 HG3 GLN B 160 120.833 -7.964 7.837 1.00 0.00 H new ATOM 0 HE21 GLN B 160 121.290 -10.006 8.775 1.00 0.00 H new ATOM 0 HE22 GLN B 160 122.780 -10.302 9.677 1.00 0.00 H new ATOM 2137 N VAL B 161 118.542 -5.407 8.072 1.00 0.00 N ATOM 2138 CA VAL B 161 117.376 -5.377 8.860 1.00 0.00 C ATOM 2139 C VAL B 161 116.869 -6.784 8.955 1.00 0.00 C ATOM 2140 O VAL B 161 116.557 -7.263 10.051 1.00 0.00 O ATOM 2141 CB VAL B 161 116.255 -4.398 8.346 1.00 0.00 C ATOM 2142 CG1 VAL B 161 116.762 -3.001 8.192 1.00 0.00 C ATOM 2143 CG2 VAL B 161 115.642 -4.822 7.040 1.00 0.00 C ATOM 2144 OXT VAL B 161 116.871 -7.452 7.945 1.00 0.00 O ATOM 0 H VAL B 161 118.410 -5.777 7.131 1.00 0.00 H new ATOM 0 HA VAL B 161 117.640 -4.975 9.838 1.00 0.00 H new ATOM 0 HB VAL B 161 115.486 -4.435 9.117 1.00 0.00 H new ATOM 0 HG11 VAL B 161 115.957 -2.359 7.836 1.00 0.00 H new ATOM 0 HG12 VAL B 161 117.119 -2.635 9.155 1.00 0.00 H new ATOM 0 HG13 VAL B 161 117.581 -2.988 7.473 1.00 0.00 H new ATOM 0 HG21 VAL B 161 114.878 -4.102 6.746 1.00 0.00 H new ATOM 0 HG22 VAL B 161 116.415 -4.865 6.272 1.00 0.00 H new ATOM 0 HG23 VAL B 161 115.188 -5.807 7.154 1.00 0.00 H new