USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=26 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= 0.348 K(o=-0.13,f=-3!) USER MOD Set 1.2: B 159 THR OG1 : rot 180:sc= -0.481 USER MOD Set 2.1: A 19 LYS NZ :NH3+ 174:sc= -0.544 (180deg=-0.869) USER MOD Set 2.2: A 92 SER OG : rot -173:sc= -1.02 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -1.15 K(o=-1.1,f=-5.8!) USER MOD Single : A 9 SER OG : rot -12:sc= 0.3 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -166:sc=-0.00424 (180deg=-0.173) USER MOD Single : A 17 HIS : no HD1:sc=-0.00753 X(o=-0.0075,f=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= -2.44! (180deg=-2.44!) USER MOD Single : A 23 SER OG : rot 15:sc= 0.315 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -170:sc= -0.795 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -168:sc= 0.954 (180deg=0.602) USER MOD Single : A 45 SER OG : rot -11:sc= 0.995 USER MOD Single : A 57 LYS NZ :NH3+ 167:sc= -0.0246 (180deg=-0.176) USER MOD Single : A 58 MET CE :methyl 171:sc= -0.881 (180deg=-1.17) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0693 USER MOD Single : A 66 SER OG : rot 38:sc= 0.549 USER MOD Single : A 68 ASN : amide:sc= -2.37! C(o=-2.4!,f=-5.6!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 CYS SG : rot 180:sc= -1.65! USER MOD Single : A 75 HIS : no HE2:sc= -3.01! C(o=-3!,f=-7!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.41) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.36 F(o=-1.2,f=-0.36) USER MOD Single : A 86 SER OG : rot 75:sc= 1.25 USER MOD Single : A 98 CYS SG : rot 64:sc= -2.33! USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : B 160 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD ----------------------------------------------------------------- ATOM 120 N THR A 5 111.038 12.329 -5.752 1.00 0.00 N ATOM 121 CA THR A 5 110.517 13.279 -4.836 1.00 0.00 C ATOM 122 C THR A 5 110.338 12.655 -3.488 1.00 0.00 C ATOM 123 O THR A 5 110.822 13.195 -2.478 1.00 0.00 O ATOM 124 CB THR A 5 109.319 14.138 -5.330 1.00 0.00 C ATOM 125 OG1 THR A 5 108.996 15.136 -4.345 1.00 0.00 O ATOM 126 CG2 THR A 5 108.089 13.311 -5.635 1.00 0.00 C ATOM 0 HA THR A 5 111.277 14.055 -4.745 1.00 0.00 H new ATOM 0 HB THR A 5 109.630 14.610 -6.262 1.00 0.00 H new ATOM 0 HG1 THR A 5 108.242 15.676 -4.661 1.00 0.00 H new ATOM 0 HG21 THR A 5 107.286 13.965 -5.975 1.00 0.00 H new ATOM 0 HG22 THR A 5 108.322 12.586 -6.415 1.00 0.00 H new ATOM 0 HG23 THR A 5 107.772 12.785 -4.735 1.00 0.00 H new ATOM 134 N ARG A 6 109.722 11.497 -3.510 1.00 0.00 N ATOM 135 CA ARG A 6 109.440 10.625 -2.334 1.00 0.00 C ATOM 136 C ARG A 6 108.282 9.777 -2.713 1.00 0.00 C ATOM 137 O ARG A 6 108.162 8.641 -2.321 1.00 0.00 O ATOM 138 CB ARG A 6 109.071 11.457 -1.088 1.00 0.00 C ATOM 139 CG ARG A 6 107.783 12.241 -1.169 1.00 0.00 C ATOM 140 CD ARG A 6 107.839 13.361 -0.209 1.00 0.00 C ATOM 141 NE ARG A 6 106.558 14.028 -0.043 1.00 0.00 N ATOM 142 CZ ARG A 6 106.329 15.020 0.808 1.00 0.00 C ATOM 143 NH1 ARG A 6 107.346 15.592 1.450 1.00 0.00 N ATOM 144 NH2 ARG A 6 105.092 15.456 0.987 1.00 0.00 N ATOM 0 H ARG A 6 109.376 11.093 -4.380 1.00 0.00 H new ATOM 0 HA ARG A 6 110.323 10.037 -2.082 1.00 0.00 H new ATOM 0 HB2 ARG A 6 109.010 10.784 -0.232 1.00 0.00 H new ATOM 0 HB3 ARG A 6 109.885 12.154 -0.888 1.00 0.00 H new ATOM 0 HG2 ARG A 6 107.636 12.620 -2.181 1.00 0.00 H new ATOM 0 HG3 ARG A 6 106.934 11.595 -0.944 1.00 0.00 H new ATOM 0 HD2 ARG A 6 108.177 12.988 0.758 1.00 0.00 H new ATOM 0 HD3 ARG A 6 108.579 14.086 -0.547 1.00 0.00 H new ATOM 0 HE ARG A 6 105.780 13.711 -0.622 1.00 0.00 H new ATOM 0 HH11 ARG A 6 108.299 15.267 1.287 1.00 0.00 H new ATOM 0 HH12 ARG A 6 107.172 16.355 2.104 1.00 0.00 H new ATOM 0 HH21 ARG A 6 104.321 15.030 0.472 1.00 0.00 H new ATOM 0 HH22 ARG A 6 104.909 16.218 1.640 1.00 0.00 H new ATOM 158 N ASN A 7 107.494 10.376 -3.547 1.00 0.00 N ATOM 159 CA ASN A 7 106.223 9.893 -4.060 1.00 0.00 C ATOM 160 C ASN A 7 106.256 8.396 -4.388 1.00 0.00 C ATOM 161 O ASN A 7 106.842 7.966 -5.375 1.00 0.00 O ATOM 162 CB ASN A 7 105.967 10.697 -5.301 1.00 0.00 C ATOM 163 CG ASN A 7 104.597 10.669 -5.859 1.00 0.00 C ATOM 164 OD1 ASN A 7 103.853 9.697 -5.764 1.00 0.00 O ATOM 165 ND2 ASN A 7 104.271 11.758 -6.471 1.00 0.00 N ATOM 0 H ASN A 7 107.730 11.293 -3.927 1.00 0.00 H new ATOM 0 HA ASN A 7 105.437 10.011 -3.314 1.00 0.00 H new ATOM 0 HB2 ASN A 7 106.223 11.735 -5.089 1.00 0.00 H new ATOM 0 HB3 ASN A 7 106.653 10.351 -6.074 1.00 0.00 H new ATOM 0 HD21 ASN A 7 103.353 11.842 -6.908 1.00 0.00 H new ATOM 0 HD22 ASN A 7 104.931 12.534 -6.518 1.00 0.00 H new ATOM 172 N PRO A 8 105.589 7.573 -3.570 1.00 0.00 N ATOM 173 CA PRO A 8 105.578 6.126 -3.771 1.00 0.00 C ATOM 174 C PRO A 8 104.971 5.795 -5.063 1.00 0.00 C ATOM 175 O PRO A 8 105.298 4.821 -5.722 1.00 0.00 O ATOM 176 CB PRO A 8 104.586 5.628 -2.786 1.00 0.00 C ATOM 177 CG PRO A 8 104.212 6.717 -1.875 1.00 0.00 C ATOM 178 CD PRO A 8 104.801 7.985 -2.390 1.00 0.00 C ATOM 0 HA PRO A 8 106.588 5.723 -3.696 1.00 0.00 H new ATOM 0 HB2 PRO A 8 103.703 5.252 -3.302 1.00 0.00 H new ATOM 0 HB3 PRO A 8 105.005 4.795 -2.222 1.00 0.00 H new ATOM 0 HG2 PRO A 8 103.127 6.802 -1.810 1.00 0.00 H new ATOM 0 HG3 PRO A 8 104.576 6.511 -0.868 1.00 0.00 H new ATOM 0 HD2 PRO A 8 104.026 8.702 -2.661 1.00 0.00 H new ATOM 0 HD3 PRO A 8 105.430 8.464 -1.640 1.00 0.00 H new ATOM 186 N SER A 9 104.064 6.606 -5.378 1.00 0.00 N ATOM 187 CA SER A 9 103.277 6.451 -6.449 1.00 0.00 C ATOM 188 C SER A 9 103.990 6.907 -7.761 1.00 0.00 C ATOM 189 O SER A 9 103.576 6.511 -8.856 1.00 0.00 O ATOM 190 CB SER A 9 102.007 7.176 -6.147 1.00 0.00 C ATOM 191 OG SER A 9 101.274 6.524 -5.120 1.00 0.00 O ATOM 0 H SER A 9 103.858 7.447 -4.839 1.00 0.00 H new ATOM 0 HA SER A 9 103.049 5.402 -6.640 1.00 0.00 H new ATOM 0 HB2 SER A 9 102.232 8.198 -5.843 1.00 0.00 H new ATOM 0 HB3 SER A 9 101.398 7.238 -7.049 1.00 0.00 H new ATOM 0 HG SER A 9 101.660 5.639 -4.954 1.00 0.00 H new ATOM 197 N GLU A 10 105.084 7.739 -7.652 1.00 0.00 N ATOM 198 CA GLU A 10 105.863 8.083 -8.844 1.00 0.00 C ATOM 199 C GLU A 10 106.651 6.854 -9.213 1.00 0.00 C ATOM 200 O GLU A 10 106.824 6.528 -10.405 1.00 0.00 O ATOM 201 CB GLU A 10 106.828 9.293 -8.612 1.00 0.00 C ATOM 202 CG GLU A 10 108.073 9.015 -7.748 1.00 0.00 C ATOM 203 CD GLU A 10 108.843 10.258 -7.379 1.00 0.00 C ATOM 204 OE1 GLU A 10 109.127 11.087 -8.283 1.00 0.00 O ATOM 205 OE2 GLU A 10 109.170 10.434 -6.171 1.00 0.00 O ATOM 0 H GLU A 10 105.415 8.155 -6.781 1.00 0.00 H new ATOM 0 HA GLU A 10 105.187 8.392 -9.641 1.00 0.00 H new ATOM 0 HB2 GLU A 10 107.160 9.657 -9.584 1.00 0.00 H new ATOM 0 HB3 GLU A 10 106.261 10.099 -8.146 1.00 0.00 H new ATOM 0 HG2 GLU A 10 107.765 8.505 -6.836 1.00 0.00 H new ATOM 0 HG3 GLU A 10 108.734 8.335 -8.286 1.00 0.00 H new ATOM 212 N LEU A 11 107.088 6.148 -8.153 1.00 0.00 N ATOM 213 CA LEU A 11 107.822 4.924 -8.262 1.00 0.00 C ATOM 214 C LEU A 11 107.073 3.927 -9.093 1.00 0.00 C ATOM 215 O LEU A 11 105.880 3.688 -8.921 1.00 0.00 O ATOM 216 CB LEU A 11 108.198 4.392 -6.888 1.00 0.00 C ATOM 217 CG LEU A 11 109.240 5.227 -6.131 1.00 0.00 C ATOM 218 CD1 LEU A 11 109.485 4.656 -4.752 1.00 0.00 C ATOM 219 CD2 LEU A 11 110.549 5.284 -6.916 1.00 0.00 C ATOM 0 H LEU A 11 106.925 6.439 -7.189 1.00 0.00 H new ATOM 0 HA LEU A 11 108.759 5.120 -8.783 1.00 0.00 H new ATOM 0 HB2 LEU A 11 107.295 4.328 -6.281 1.00 0.00 H new ATOM 0 HB3 LEU A 11 108.580 3.377 -7.000 1.00 0.00 H new ATOM 0 HG LEU A 11 108.851 6.239 -6.022 1.00 0.00 H new ATOM 0 HD11 LEU A 11 110.227 5.263 -4.233 1.00 0.00 H new ATOM 0 HD12 LEU A 11 108.553 4.659 -4.186 1.00 0.00 H new ATOM 0 HD13 LEU A 11 109.852 3.633 -4.841 1.00 0.00 H new ATOM 0 HD21 LEU A 11 111.277 5.880 -6.366 1.00 0.00 H new ATOM 0 HD22 LEU A 11 110.935 4.274 -7.053 1.00 0.00 H new ATOM 0 HD23 LEU A 11 110.370 5.739 -7.890 1.00 0.00 H new ATOM 231 N LYS A 12 107.791 3.412 -10.026 1.00 0.00 N ATOM 232 CA LYS A 12 107.297 2.568 -11.082 1.00 0.00 C ATOM 233 C LYS A 12 107.131 1.111 -10.661 1.00 0.00 C ATOM 234 O LYS A 12 107.128 0.786 -9.481 1.00 0.00 O ATOM 235 CB LYS A 12 108.275 2.654 -12.219 1.00 0.00 C ATOM 236 CG LYS A 12 109.622 2.145 -11.812 1.00 0.00 C ATOM 237 CD LYS A 12 110.583 2.057 -12.951 1.00 0.00 C ATOM 238 CE LYS A 12 110.134 1.110 -14.036 1.00 0.00 C ATOM 239 NZ LYS A 12 111.151 1.011 -15.087 1.00 0.00 N ATOM 0 H LYS A 12 108.797 3.570 -10.086 1.00 0.00 H new ATOM 0 HA LYS A 12 106.304 2.917 -11.365 1.00 0.00 H new ATOM 0 HB2 LYS A 12 107.905 2.075 -13.065 1.00 0.00 H new ATOM 0 HB3 LYS A 12 108.359 3.688 -12.552 1.00 0.00 H new ATOM 0 HG2 LYS A 12 110.035 2.801 -11.046 1.00 0.00 H new ATOM 0 HG3 LYS A 12 109.510 1.159 -11.362 1.00 0.00 H new ATOM 0 HD2 LYS A 12 110.721 3.050 -13.379 1.00 0.00 H new ATOM 0 HD3 LYS A 12 111.554 1.734 -12.575 1.00 0.00 H new ATOM 0 HE2 LYS A 12 109.945 0.124 -13.611 1.00 0.00 H new ATOM 0 HE3 LYS A 12 109.194 1.458 -14.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 110.825 0.355 -15.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 111.311 1.950 -15.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 112.040 0.658 -14.678 1.00 0.00 H new ATOM 253 N GLY A 13 107.033 0.246 -11.661 1.00 0.00 N ATOM 254 CA GLY A 13 106.812 -1.155 -11.440 1.00 0.00 C ATOM 255 C GLY A 13 105.457 -1.398 -10.834 1.00 0.00 C ATOM 256 O GLY A 13 104.440 -1.341 -11.522 1.00 0.00 O ATOM 0 H GLY A 13 107.106 0.507 -12.644 1.00 0.00 H new ATOM 0 HA2 GLY A 13 106.894 -1.693 -12.384 1.00 0.00 H new ATOM 0 HA3 GLY A 13 107.585 -1.549 -10.781 1.00 0.00 H new ATOM 260 N LYS A 14 105.444 -1.633 -9.564 1.00 0.00 N ATOM 261 CA LYS A 14 104.237 -1.857 -8.816 1.00 0.00 C ATOM 262 C LYS A 14 104.388 -1.308 -7.429 1.00 0.00 C ATOM 263 O LYS A 14 105.490 -1.294 -6.864 1.00 0.00 O ATOM 264 CB LYS A 14 103.861 -3.340 -8.771 1.00 0.00 C ATOM 265 CG LYS A 14 105.006 -4.253 -8.417 1.00 0.00 C ATOM 266 CD LYS A 14 105.407 -5.130 -9.590 1.00 0.00 C ATOM 267 CE LYS A 14 104.346 -6.178 -9.895 1.00 0.00 C ATOM 268 NZ LYS A 14 104.240 -7.189 -8.826 1.00 0.00 N ATOM 0 H LYS A 14 106.291 -1.677 -8.997 1.00 0.00 H new ATOM 0 HA LYS A 14 103.426 -1.335 -9.323 1.00 0.00 H new ATOM 0 HB2 LYS A 14 103.061 -3.479 -8.044 1.00 0.00 H new ATOM 0 HB3 LYS A 14 103.463 -3.633 -9.743 1.00 0.00 H new ATOM 0 HG2 LYS A 14 105.862 -3.657 -8.098 1.00 0.00 H new ATOM 0 HG3 LYS A 14 104.723 -4.881 -7.573 1.00 0.00 H new ATOM 0 HD2 LYS A 14 105.569 -4.509 -10.471 1.00 0.00 H new ATOM 0 HD3 LYS A 14 106.354 -5.623 -9.369 1.00 0.00 H new ATOM 0 HE2 LYS A 14 103.381 -5.688 -10.027 1.00 0.00 H new ATOM 0 HE3 LYS A 14 104.585 -6.671 -10.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 103.690 -8.002 -9.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 105.192 -7.506 -8.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 103.763 -6.773 -8.001 1.00 0.00 H new ATOM 282 N PHE A 15 103.298 -0.878 -6.893 1.00 0.00 N ATOM 283 CA PHE A 15 103.242 -0.268 -5.616 1.00 0.00 C ATOM 284 C PHE A 15 102.480 -1.202 -4.701 1.00 0.00 C ATOM 285 O PHE A 15 101.274 -1.408 -4.865 1.00 0.00 O ATOM 286 CB PHE A 15 102.512 1.060 -5.793 1.00 0.00 C ATOM 287 CG PHE A 15 102.366 1.928 -4.585 1.00 0.00 C ATOM 288 CD1 PHE A 15 103.208 1.806 -3.504 1.00 0.00 C ATOM 289 CD2 PHE A 15 101.378 2.891 -4.555 1.00 0.00 C ATOM 290 CE1 PHE A 15 103.067 2.625 -2.411 1.00 0.00 C ATOM 291 CE2 PHE A 15 101.232 3.722 -3.467 1.00 0.00 C ATOM 292 CZ PHE A 15 102.075 3.589 -2.392 1.00 0.00 C ATOM 0 H PHE A 15 102.390 -0.946 -7.352 1.00 0.00 H new ATOM 0 HA PHE A 15 104.226 -0.083 -5.185 1.00 0.00 H new ATOM 0 HB2 PHE A 15 103.035 1.633 -6.559 1.00 0.00 H new ATOM 0 HB3 PHE A 15 101.515 0.848 -6.179 1.00 0.00 H new ATOM 0 HD1 PHE A 15 103.988 1.059 -3.515 1.00 0.00 H new ATOM 0 HD2 PHE A 15 100.710 2.994 -5.397 1.00 0.00 H new ATOM 0 HE1 PHE A 15 103.731 2.517 -1.566 1.00 0.00 H new ATOM 0 HE2 PHE A 15 100.458 4.475 -3.459 1.00 0.00 H new ATOM 0 HZ PHE A 15 101.964 4.235 -1.534 1.00 0.00 H new ATOM 302 N ILE A 16 103.171 -1.771 -3.772 1.00 0.00 N ATOM 303 CA ILE A 16 102.594 -2.723 -2.873 1.00 0.00 C ATOM 304 C ILE A 16 102.908 -2.402 -1.457 1.00 0.00 C ATOM 305 O ILE A 16 103.888 -1.725 -1.162 1.00 0.00 O ATOM 306 CB ILE A 16 102.960 -4.215 -3.158 1.00 0.00 C ATOM 307 CG1 ILE A 16 104.484 -4.491 -3.321 1.00 0.00 C ATOM 308 CG2 ILE A 16 102.179 -4.745 -4.320 1.00 0.00 C ATOM 309 CD1 ILE A 16 105.108 -4.033 -4.644 1.00 0.00 C ATOM 0 H ILE A 16 104.162 -1.589 -3.610 1.00 0.00 H new ATOM 0 HA ILE A 16 101.523 -2.630 -3.053 1.00 0.00 H new ATOM 0 HB ILE A 16 102.673 -4.760 -2.259 1.00 0.00 H new ATOM 0 HG12 ILE A 16 105.012 -4.001 -2.503 1.00 0.00 H new ATOM 0 HG13 ILE A 16 104.653 -5.562 -3.213 1.00 0.00 H new ATOM 0 HG21 ILE A 16 102.452 -5.785 -4.498 1.00 0.00 H new ATOM 0 HG22 ILE A 16 101.113 -4.682 -4.101 1.00 0.00 H new ATOM 0 HG23 ILE A 16 102.402 -4.154 -5.208 1.00 0.00 H new ATOM 0 HD11 ILE A 16 106.171 -4.275 -4.648 1.00 0.00 H new ATOM 0 HD12 ILE A 16 104.617 -4.542 -5.473 1.00 0.00 H new ATOM 0 HD13 ILE A 16 104.981 -2.956 -4.753 1.00 0.00 H new ATOM 321 N HIS A 17 102.051 -2.823 -0.591 1.00 0.00 N ATOM 322 CA HIS A 17 102.262 -2.652 0.797 1.00 0.00 C ATOM 323 C HIS A 17 102.000 -3.975 1.503 1.00 0.00 C ATOM 324 O HIS A 17 100.870 -4.470 1.554 1.00 0.00 O ATOM 325 CB HIS A 17 101.461 -1.447 1.348 1.00 0.00 C ATOM 326 CG HIS A 17 99.954 -1.501 1.225 1.00 0.00 C ATOM 327 ND1 HIS A 17 99.239 -0.908 0.202 1.00 0.00 N ATOM 328 CD2 HIS A 17 99.031 -2.054 2.048 1.00 0.00 C ATOM 329 CE1 HIS A 17 97.947 -1.112 0.430 1.00 0.00 C ATOM 330 NE2 HIS A 17 97.759 -1.809 1.543 1.00 0.00 N ATOM 0 H HIS A 17 101.181 -3.298 -0.832 1.00 0.00 H new ATOM 0 HA HIS A 17 103.301 -2.390 0.997 1.00 0.00 H new ATOM 0 HB2 HIS A 17 101.709 -1.331 2.403 1.00 0.00 H new ATOM 0 HB3 HIS A 17 101.809 -0.549 0.838 1.00 0.00 H new ATOM 0 HD2 HIS A 17 99.249 -2.600 2.954 1.00 0.00 H new ATOM 0 HE1 HIS A 17 97.152 -0.756 -0.208 1.00 0.00 H new ATOM 0 HE2 HIS A 17 96.868 -2.103 1.944 1.00 0.00 H new ATOM 338 N THR A 18 103.056 -4.591 1.945 1.00 0.00 N ATOM 339 CA THR A 18 102.980 -5.891 2.553 1.00 0.00 C ATOM 340 C THR A 18 103.562 -5.872 3.977 1.00 0.00 C ATOM 341 O THR A 18 104.632 -5.322 4.229 1.00 0.00 O ATOM 342 CB THR A 18 103.685 -6.966 1.648 1.00 0.00 C ATOM 343 OG1 THR A 18 103.557 -8.281 2.205 1.00 0.00 O ATOM 344 CG2 THR A 18 105.161 -6.651 1.441 1.00 0.00 C ATOM 0 H THR A 18 103.999 -4.206 1.895 1.00 0.00 H new ATOM 0 HA THR A 18 101.930 -6.169 2.640 1.00 0.00 H new ATOM 0 HB THR A 18 103.182 -6.935 0.682 1.00 0.00 H new ATOM 0 HG1 THR A 18 104.003 -8.929 1.620 1.00 0.00 H new ATOM 0 HG21 THR A 18 105.612 -7.417 0.810 1.00 0.00 H new ATOM 0 HG22 THR A 18 105.261 -5.679 0.958 1.00 0.00 H new ATOM 0 HG23 THR A 18 105.668 -6.631 2.406 1.00 0.00 H new ATOM 352 N LYS A 19 102.827 -6.440 4.894 1.00 0.00 N ATOM 353 CA LYS A 19 103.215 -6.518 6.285 1.00 0.00 C ATOM 354 C LYS A 19 104.273 -7.590 6.481 1.00 0.00 C ATOM 355 O LYS A 19 104.169 -8.684 5.933 1.00 0.00 O ATOM 356 CB LYS A 19 101.947 -6.789 7.149 1.00 0.00 C ATOM 357 CG LYS A 19 102.101 -6.979 8.686 1.00 0.00 C ATOM 358 CD LYS A 19 102.617 -8.379 9.080 1.00 0.00 C ATOM 359 CE LYS A 19 102.349 -8.699 10.537 1.00 0.00 C ATOM 360 NZ LYS A 19 100.914 -8.593 10.882 1.00 0.00 N ATOM 0 H LYS A 19 101.924 -6.871 4.696 1.00 0.00 H new ATOM 0 HA LYS A 19 103.656 -5.573 6.603 1.00 0.00 H new ATOM 0 HB2 LYS A 19 101.258 -5.960 6.989 1.00 0.00 H new ATOM 0 HB3 LYS A 19 101.467 -7.684 6.754 1.00 0.00 H new ATOM 0 HG2 LYS A 19 102.787 -6.225 9.071 1.00 0.00 H new ATOM 0 HG3 LYS A 19 101.137 -6.807 9.165 1.00 0.00 H new ATOM 0 HD2 LYS A 19 102.140 -9.130 8.451 1.00 0.00 H new ATOM 0 HD3 LYS A 19 103.688 -8.437 8.888 1.00 0.00 H new ATOM 0 HE2 LYS A 19 102.699 -9.708 10.755 1.00 0.00 H new ATOM 0 HE3 LYS A 19 102.923 -8.019 11.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 100.767 -8.918 11.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 100.609 -7.602 10.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 100.356 -9.184 10.233 1.00 0.00 H new ATOM 374 N LEU A 20 105.279 -7.269 7.255 1.00 0.00 N ATOM 375 CA LEU A 20 106.307 -8.212 7.617 1.00 0.00 C ATOM 376 C LEU A 20 106.286 -8.326 9.096 1.00 0.00 C ATOM 377 O LEU A 20 106.277 -7.291 9.820 1.00 0.00 O ATOM 378 CB LEU A 20 107.697 -7.751 7.152 1.00 0.00 C ATOM 379 CG LEU A 20 108.383 -8.557 6.031 1.00 0.00 C ATOM 380 CD1 LEU A 20 107.474 -8.807 4.861 1.00 0.00 C ATOM 381 CD2 LEU A 20 109.635 -7.844 5.561 1.00 0.00 C ATOM 0 H LEU A 20 105.409 -6.339 7.654 1.00 0.00 H new ATOM 0 HA LEU A 20 106.114 -9.170 7.133 1.00 0.00 H new ATOM 0 HB2 LEU A 20 107.613 -6.717 6.818 1.00 0.00 H new ATOM 0 HB3 LEU A 20 108.358 -7.753 8.019 1.00 0.00 H new ATOM 0 HG LEU A 20 108.645 -9.526 6.455 1.00 0.00 H new ATOM 0 HD11 LEU A 20 108.008 -9.378 4.101 1.00 0.00 H new ATOM 0 HD12 LEU A 20 106.601 -9.370 5.192 1.00 0.00 H new ATOM 0 HD13 LEU A 20 107.153 -7.854 4.440 1.00 0.00 H new ATOM 0 HD21 LEU A 20 110.109 -8.425 4.769 1.00 0.00 H new ATOM 0 HD22 LEU A 20 109.371 -6.858 5.179 1.00 0.00 H new ATOM 0 HD23 LEU A 20 110.327 -7.736 6.396 1.00 0.00 H new ATOM 393 N ARG A 21 106.260 -9.514 9.577 1.00 0.00 N ATOM 394 CA ARG A 21 106.236 -9.727 10.971 1.00 0.00 C ATOM 395 C ARG A 21 107.666 -9.644 11.486 1.00 0.00 C ATOM 396 O ARG A 21 108.552 -10.237 10.928 1.00 0.00 O ATOM 397 CB ARG A 21 105.643 -11.091 11.299 1.00 0.00 C ATOM 398 CG ARG A 21 105.514 -11.351 12.786 1.00 0.00 C ATOM 399 CD ARG A 21 105.104 -12.782 13.058 1.00 0.00 C ATOM 400 NE ARG A 21 105.114 -13.096 14.491 1.00 0.00 N ATOM 401 CZ ARG A 21 104.022 -13.342 15.236 1.00 0.00 C ATOM 402 NH1 ARG A 21 102.797 -13.174 14.723 1.00 0.00 N ATOM 403 NH2 ARG A 21 104.160 -13.731 16.498 1.00 0.00 N ATOM 0 H ARG A 21 106.255 -10.364 9.013 1.00 0.00 H new ATOM 0 HA ARG A 21 105.614 -8.970 11.448 1.00 0.00 H new ATOM 0 HB2 ARG A 21 104.659 -11.171 10.837 1.00 0.00 H new ATOM 0 HB3 ARG A 21 106.268 -11.866 10.855 1.00 0.00 H new ATOM 0 HG2 ARG A 21 106.464 -11.142 13.278 1.00 0.00 H new ATOM 0 HG3 ARG A 21 104.777 -10.671 13.214 1.00 0.00 H new ATOM 0 HD2 ARG A 21 104.106 -12.955 12.656 1.00 0.00 H new ATOM 0 HD3 ARG A 21 105.780 -13.458 12.534 1.00 0.00 H new ATOM 0 HE ARG A 21 106.020 -13.130 14.959 1.00 0.00 H new ATOM 0 HH11 ARG A 21 102.687 -12.857 13.760 1.00 0.00 H new ATOM 0 HH12 ARG A 21 101.974 -13.363 15.295 1.00 0.00 H new ATOM 0 HH21 ARG A 21 105.091 -13.842 16.898 1.00 0.00 H new ATOM 0 HH22 ARG A 21 103.335 -13.919 17.067 1.00 0.00 H new ATOM 417 N LYS A 22 107.893 -8.779 12.437 1.00 0.00 N ATOM 418 CA LYS A 22 109.133 -8.675 13.127 1.00 0.00 C ATOM 419 C LYS A 22 109.533 -9.977 13.670 1.00 0.00 C ATOM 420 O LYS A 22 108.894 -10.474 14.629 1.00 0.00 O ATOM 421 CB LYS A 22 109.001 -7.745 14.271 1.00 0.00 C ATOM 422 CG LYS A 22 109.137 -6.287 13.983 1.00 0.00 C ATOM 423 CD LYS A 22 108.061 -5.635 13.171 1.00 0.00 C ATOM 424 CE LYS A 22 108.437 -5.371 11.759 1.00 0.00 C ATOM 425 NZ LYS A 22 108.615 -6.567 10.948 1.00 0.00 N ATOM 0 H LYS A 22 107.193 -8.110 12.757 1.00 0.00 H new ATOM 0 HA LYS A 22 109.876 -8.315 12.416 1.00 0.00 H new ATOM 0 HB2 LYS A 22 108.026 -7.909 14.729 1.00 0.00 H new ATOM 0 HB3 LYS A 22 109.752 -8.014 15.014 1.00 0.00 H new ATOM 0 HG2 LYS A 22 109.203 -5.762 14.936 1.00 0.00 H new ATOM 0 HG3 LYS A 22 110.085 -6.134 13.468 1.00 0.00 H new ATOM 0 HD2 LYS A 22 107.175 -6.270 13.186 1.00 0.00 H new ATOM 0 HD3 LYS A 22 107.786 -4.692 13.644 1.00 0.00 H new ATOM 0 HE2 LYS A 22 107.668 -4.748 11.302 1.00 0.00 H new ATOM 0 HE3 LYS A 22 109.363 -4.796 11.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 108.876 -6.294 9.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 109.369 -7.155 11.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 107.727 -7.108 10.928 1.00 0.00 H new ATOM 439 N SER A 23 110.555 -10.506 13.060 1.00 0.00 N ATOM 440 CA SER A 23 111.142 -11.744 13.405 1.00 0.00 C ATOM 441 C SER A 23 112.169 -11.483 14.543 1.00 0.00 C ATOM 442 O SER A 23 111.936 -10.597 15.379 1.00 0.00 O ATOM 443 CB SER A 23 111.788 -12.329 12.125 1.00 0.00 C ATOM 444 OG SER A 23 112.326 -13.618 12.348 1.00 0.00 O ATOM 0 H SER A 23 111.015 -10.053 12.271 1.00 0.00 H new ATOM 0 HA SER A 23 110.419 -12.471 13.775 1.00 0.00 H new ATOM 0 HB2 SER A 23 111.042 -12.379 11.332 1.00 0.00 H new ATOM 0 HB3 SER A 23 112.577 -11.661 11.779 1.00 0.00 H new ATOM 0 HG SER A 23 111.977 -13.977 13.191 1.00 0.00 H new ATOM 450 N SER A 24 113.259 -12.215 14.586 1.00 0.00 N ATOM 451 CA SER A 24 114.258 -12.075 15.641 1.00 0.00 C ATOM 452 C SER A 24 114.962 -10.686 15.653 1.00 0.00 C ATOM 453 O SER A 24 116.006 -10.508 15.055 1.00 0.00 O ATOM 454 CB SER A 24 115.274 -13.188 15.508 1.00 0.00 C ATOM 455 OG SER A 24 114.620 -14.453 15.548 1.00 0.00 O ATOM 0 H SER A 24 113.486 -12.928 13.893 1.00 0.00 H new ATOM 0 HA SER A 24 113.736 -12.147 16.595 1.00 0.00 H new ATOM 0 HB2 SER A 24 115.821 -13.082 14.571 1.00 0.00 H new ATOM 0 HB3 SER A 24 116.005 -13.122 16.314 1.00 0.00 H new ATOM 0 HG SER A 24 115.285 -15.168 15.460 1.00 0.00 H new ATOM 461 N ARG A 25 114.308 -9.714 16.304 1.00 0.00 N ATOM 462 CA ARG A 25 114.802 -8.348 16.526 1.00 0.00 C ATOM 463 C ARG A 25 115.067 -7.648 15.232 1.00 0.00 C ATOM 464 O ARG A 25 116.109 -7.003 15.041 1.00 0.00 O ATOM 465 CB ARG A 25 116.031 -8.230 17.446 1.00 0.00 C ATOM 466 CG ARG A 25 115.833 -8.668 18.880 1.00 0.00 C ATOM 467 CD ARG A 25 116.315 -10.074 19.076 1.00 0.00 C ATOM 468 NE ARG A 25 116.284 -10.472 20.481 1.00 0.00 N ATOM 469 CZ ARG A 25 116.904 -11.548 20.985 1.00 0.00 C ATOM 470 NH1 ARG A 25 117.617 -12.343 20.192 1.00 0.00 N ATOM 471 NH2 ARG A 25 116.830 -11.803 22.279 1.00 0.00 N ATOM 0 H ARG A 25 113.383 -9.864 16.707 1.00 0.00 H new ATOM 0 HA ARG A 25 113.988 -7.858 17.060 1.00 0.00 H new ATOM 0 HB2 ARG A 25 116.840 -8.820 17.015 1.00 0.00 H new ATOM 0 HB3 ARG A 25 116.360 -7.191 17.447 1.00 0.00 H new ATOM 0 HG2 ARG A 25 116.373 -7.997 19.548 1.00 0.00 H new ATOM 0 HG3 ARG A 25 114.778 -8.600 19.144 1.00 0.00 H new ATOM 0 HD2 ARG A 25 115.695 -10.755 18.493 1.00 0.00 H new ATOM 0 HD3 ARG A 25 117.332 -10.165 18.696 1.00 0.00 H new ATOM 0 HE ARG A 25 115.751 -9.888 21.126 1.00 0.00 H new ATOM 0 HH11 ARG A 25 117.693 -12.135 19.196 1.00 0.00 H new ATOM 0 HH12 ARG A 25 118.087 -13.161 20.579 1.00 0.00 H new ATOM 0 HH21 ARG A 25 116.302 -11.182 22.892 1.00 0.00 H new ATOM 0 HH22 ARG A 25 117.301 -12.621 22.665 1.00 0.00 H new ATOM 485 N GLY A 26 114.162 -7.799 14.337 1.00 0.00 N ATOM 486 CA GLY A 26 114.300 -7.158 13.107 1.00 0.00 C ATOM 487 C GLY A 26 113.502 -7.809 12.055 1.00 0.00 C ATOM 488 O GLY A 26 112.273 -8.065 12.212 1.00 0.00 O ATOM 0 H GLY A 26 113.320 -8.365 14.444 1.00 0.00 H new ATOM 0 HA2 GLY A 26 113.992 -6.117 13.204 1.00 0.00 H new ATOM 0 HA3 GLY A 26 115.350 -7.154 12.816 1.00 0.00 H new ATOM 492 N PHE A 27 114.160 -8.118 11.015 1.00 0.00 N ATOM 493 CA PHE A 27 113.549 -8.600 9.857 1.00 0.00 C ATOM 494 C PHE A 27 114.278 -9.815 9.312 1.00 0.00 C ATOM 495 O PHE A 27 113.921 -10.945 9.632 1.00 0.00 O ATOM 496 CB PHE A 27 113.552 -7.475 8.837 1.00 0.00 C ATOM 497 CG PHE A 27 112.630 -6.374 9.094 1.00 0.00 C ATOM 498 CD1 PHE A 27 111.313 -6.439 8.729 1.00 0.00 C ATOM 499 CD2 PHE A 27 113.095 -5.246 9.715 1.00 0.00 C ATOM 500 CE1 PHE A 27 110.484 -5.394 9.007 1.00 0.00 C ATOM 501 CE2 PHE A 27 112.281 -4.220 9.979 1.00 0.00 C ATOM 502 CZ PHE A 27 110.978 -4.284 9.638 1.00 0.00 C ATOM 0 H PHE A 27 115.175 -8.039 10.946 1.00 0.00 H new ATOM 0 HA PHE A 27 112.530 -8.917 10.079 1.00 0.00 H new ATOM 0 HB2 PHE A 27 114.562 -7.070 8.776 1.00 0.00 H new ATOM 0 HB3 PHE A 27 113.318 -7.897 7.860 1.00 0.00 H new ATOM 0 HD1 PHE A 27 110.932 -7.314 8.223 1.00 0.00 H new ATOM 0 HD2 PHE A 27 114.136 -5.185 9.996 1.00 0.00 H new ATOM 0 HE1 PHE A 27 109.441 -5.441 8.731 1.00 0.00 H new ATOM 0 HE2 PHE A 27 112.668 -3.337 10.467 1.00 0.00 H new ATOM 0 HZ PHE A 27 110.322 -3.457 9.863 1.00 0.00 H new ATOM 512 N GLY A 28 115.319 -9.584 8.581 1.00 0.00 N ATOM 513 CA GLY A 28 115.949 -10.631 7.847 1.00 0.00 C ATOM 514 C GLY A 28 116.025 -10.268 6.381 1.00 0.00 C ATOM 515 O GLY A 28 115.513 -10.985 5.517 1.00 0.00 O ATOM 0 H GLY A 28 115.755 -8.668 8.476 1.00 0.00 H new ATOM 0 HA2 GLY A 28 116.951 -10.807 8.238 1.00 0.00 H new ATOM 0 HA3 GLY A 28 115.391 -11.559 7.971 1.00 0.00 H new ATOM 519 N PHE A 29 116.603 -9.127 6.112 1.00 0.00 N ATOM 520 CA PHE A 29 116.860 -8.659 4.770 1.00 0.00 C ATOM 521 C PHE A 29 117.907 -7.589 4.838 1.00 0.00 C ATOM 522 O PHE A 29 118.023 -6.896 5.846 1.00 0.00 O ATOM 523 CB PHE A 29 115.585 -8.185 4.001 1.00 0.00 C ATOM 524 CG PHE A 29 114.834 -7.002 4.553 1.00 0.00 C ATOM 525 CD1 PHE A 29 115.325 -5.717 4.406 1.00 0.00 C ATOM 526 CD2 PHE A 29 113.612 -7.174 5.165 1.00 0.00 C ATOM 527 CE1 PHE A 29 114.613 -4.625 4.865 1.00 0.00 C ATOM 528 CE2 PHE A 29 112.897 -6.088 5.633 1.00 0.00 C ATOM 529 CZ PHE A 29 113.397 -4.813 5.481 1.00 0.00 C ATOM 0 H PHE A 29 116.917 -8.480 6.835 1.00 0.00 H new ATOM 0 HA PHE A 29 117.220 -9.504 4.182 1.00 0.00 H new ATOM 0 HB2 PHE A 29 115.879 -7.948 2.978 1.00 0.00 H new ATOM 0 HB3 PHE A 29 114.894 -9.026 3.947 1.00 0.00 H new ATOM 0 HD1 PHE A 29 116.280 -5.565 3.925 1.00 0.00 H new ATOM 0 HD2 PHE A 29 113.208 -8.169 5.280 1.00 0.00 H new ATOM 0 HE1 PHE A 29 115.009 -3.628 4.741 1.00 0.00 H new ATOM 0 HE2 PHE A 29 111.944 -6.239 6.119 1.00 0.00 H new ATOM 0 HZ PHE A 29 112.836 -3.964 5.844 1.00 0.00 H new ATOM 539 N THR A 30 118.695 -7.475 3.839 1.00 0.00 N ATOM 540 CA THR A 30 119.669 -6.450 3.825 1.00 0.00 C ATOM 541 C THR A 30 119.335 -5.472 2.749 1.00 0.00 C ATOM 542 O THR A 30 118.916 -5.840 1.625 1.00 0.00 O ATOM 543 CB THR A 30 121.106 -7.000 3.765 1.00 0.00 C ATOM 544 OG1 THR A 30 121.238 -7.913 2.663 1.00 0.00 O ATOM 545 CG2 THR A 30 121.431 -7.734 5.068 1.00 0.00 C ATOM 0 H THR A 30 118.687 -8.079 3.017 1.00 0.00 H new ATOM 0 HA THR A 30 119.643 -5.911 4.772 1.00 0.00 H new ATOM 0 HB THR A 30 121.797 -6.168 3.629 1.00 0.00 H new ATOM 0 HG1 THR A 30 122.099 -8.376 2.723 1.00 0.00 H new ATOM 0 HG21 THR A 30 122.449 -8.122 5.023 1.00 0.00 H new ATOM 0 HG22 THR A 30 121.343 -7.043 5.906 1.00 0.00 H new ATOM 0 HG23 THR A 30 120.733 -8.560 5.204 1.00 0.00 H new ATOM 553 N VAL A 31 119.463 -4.249 3.090 1.00 0.00 N ATOM 554 CA VAL A 31 118.963 -3.214 2.311 1.00 0.00 C ATOM 555 C VAL A 31 120.038 -2.146 2.035 1.00 0.00 C ATOM 556 O VAL A 31 120.949 -1.942 2.837 1.00 0.00 O ATOM 557 CB VAL A 31 117.708 -2.682 3.050 1.00 0.00 C ATOM 558 CG1 VAL A 31 117.996 -2.279 4.456 1.00 0.00 C ATOM 559 CG2 VAL A 31 117.091 -1.582 2.371 1.00 0.00 C ATOM 0 H VAL A 31 119.932 -3.944 3.943 1.00 0.00 H new ATOM 0 HA VAL A 31 118.675 -3.552 1.316 1.00 0.00 H new ATOM 0 HB VAL A 31 117.016 -3.524 3.059 1.00 0.00 H new ATOM 0 HG11 VAL A 31 117.082 -1.915 4.925 1.00 0.00 H new ATOM 0 HG12 VAL A 31 118.371 -3.139 5.011 1.00 0.00 H new ATOM 0 HG13 VAL A 31 118.746 -1.488 4.461 1.00 0.00 H new ATOM 0 HG21 VAL A 31 116.218 -1.251 2.933 1.00 0.00 H new ATOM 0 HG22 VAL A 31 117.802 -0.760 2.288 1.00 0.00 H new ATOM 0 HG23 VAL A 31 116.782 -1.897 1.374 1.00 0.00 H new ATOM 569 N VAL A 32 119.906 -1.495 0.898 1.00 0.00 N ATOM 570 CA VAL A 32 120.834 -0.538 0.396 1.00 0.00 C ATOM 571 C VAL A 32 120.274 0.837 0.327 1.00 0.00 C ATOM 572 O VAL A 32 119.074 1.029 0.260 1.00 0.00 O ATOM 573 CB VAL A 32 121.442 -0.920 -0.985 1.00 0.00 C ATOM 574 CG1 VAL A 32 122.409 -2.066 -0.852 1.00 0.00 C ATOM 575 CG2 VAL A 32 120.352 -1.266 -1.978 1.00 0.00 C ATOM 0 H VAL A 32 119.107 -1.635 0.280 1.00 0.00 H new ATOM 0 HA VAL A 32 121.640 -0.548 1.130 1.00 0.00 H new ATOM 0 HB VAL A 32 121.987 -0.053 -1.358 1.00 0.00 H new ATOM 0 HG11 VAL A 32 122.819 -2.312 -1.832 1.00 0.00 H new ATOM 0 HG12 VAL A 32 123.219 -1.782 -0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 32 121.890 -2.935 -0.447 1.00 0.00 H new ATOM 0 HG21 VAL A 32 120.802 -1.529 -2.935 1.00 0.00 H new ATOM 0 HG22 VAL A 32 119.774 -2.111 -1.604 1.00 0.00 H new ATOM 0 HG23 VAL A 32 119.694 -0.407 -2.110 1.00 0.00 H new ATOM 585 N GLY A 33 121.160 1.782 0.392 1.00 0.00 N ATOM 586 CA GLY A 33 120.798 3.154 0.290 1.00 0.00 C ATOM 587 C GLY A 33 120.421 3.761 1.614 1.00 0.00 C ATOM 588 O GLY A 33 121.234 3.694 2.615 1.00 0.00 O ATOM 0 H GLY A 33 122.159 1.618 0.518 1.00 0.00 H new ATOM 0 HA2 GLY A 33 121.631 3.713 -0.136 1.00 0.00 H new ATOM 0 HA3 GLY A 33 119.961 3.253 -0.401 1.00 0.00 H new ATOM 592 N GLY A 34 119.176 4.318 1.617 1.00 0.00 N ATOM 593 CA GLY A 34 118.574 5.081 2.722 1.00 0.00 C ATOM 594 C GLY A 34 119.547 5.967 3.376 1.00 0.00 C ATOM 595 O GLY A 34 119.669 6.002 4.562 1.00 0.00 O ATOM 0 H GLY A 34 118.551 4.238 0.815 1.00 0.00 H new ATOM 0 HA2 GLY A 34 117.742 5.674 2.342 1.00 0.00 H new ATOM 0 HA3 GLY A 34 118.162 4.390 3.457 1.00 0.00 H new ATOM 599 N ASP A 35 120.241 6.666 2.584 1.00 0.00 N ATOM 600 CA ASP A 35 121.331 7.476 3.034 1.00 0.00 C ATOM 601 C ASP A 35 120.845 8.864 3.244 1.00 0.00 C ATOM 602 O ASP A 35 121.314 9.574 4.140 1.00 0.00 O ATOM 603 CB ASP A 35 122.391 7.436 1.932 1.00 0.00 C ATOM 604 CG ASP A 35 123.814 7.761 2.365 1.00 0.00 C ATOM 605 OD1 ASP A 35 124.131 8.941 2.660 1.00 0.00 O ATOM 606 OD2 ASP A 35 124.652 6.839 2.335 1.00 0.00 O ATOM 0 H ASP A 35 120.080 6.706 1.578 1.00 0.00 H new ATOM 0 HA ASP A 35 121.748 7.116 3.975 1.00 0.00 H new ATOM 0 HB2 ASP A 35 122.386 6.441 1.486 1.00 0.00 H new ATOM 0 HB3 ASP A 35 122.101 8.138 1.150 1.00 0.00 H new ATOM 611 N GLU A 36 119.833 9.255 2.481 1.00 0.00 N ATOM 612 CA GLU A 36 119.479 10.620 2.475 1.00 0.00 C ATOM 613 C GLU A 36 118.011 10.762 2.431 1.00 0.00 C ATOM 614 O GLU A 36 117.299 9.816 2.206 1.00 0.00 O ATOM 615 CB GLU A 36 120.072 11.293 1.232 1.00 0.00 C ATOM 616 CG GLU A 36 121.470 10.925 0.931 1.00 0.00 C ATOM 617 CD GLU A 36 122.117 11.876 -0.037 1.00 0.00 C ATOM 618 OE1 GLU A 36 121.828 11.814 -1.247 1.00 0.00 O ATOM 619 OE2 GLU A 36 122.912 12.728 0.391 1.00 0.00 O ATOM 0 H GLU A 36 119.272 8.648 1.883 1.00 0.00 H new ATOM 0 HA GLU A 36 119.865 11.088 3.380 1.00 0.00 H new ATOM 0 HB2 GLU A 36 119.453 11.042 0.371 1.00 0.00 H new ATOM 0 HB3 GLU A 36 120.016 12.374 1.361 1.00 0.00 H new ATOM 0 HG2 GLU A 36 122.045 10.906 1.857 1.00 0.00 H new ATOM 0 HG3 GLU A 36 121.497 9.917 0.518 1.00 0.00 H new ATOM 626 N PRO A 37 117.536 11.989 2.573 1.00 0.00 N ATOM 627 CA PRO A 37 116.133 12.332 2.403 1.00 0.00 C ATOM 628 C PRO A 37 115.813 12.297 0.914 1.00 0.00 C ATOM 629 O PRO A 37 114.666 12.385 0.480 1.00 0.00 O ATOM 630 CB PRO A 37 116.106 13.776 2.920 1.00 0.00 C ATOM 631 CG PRO A 37 117.320 13.894 3.754 1.00 0.00 C ATOM 632 CD PRO A 37 118.306 13.179 2.935 1.00 0.00 C ATOM 0 HA PRO A 37 115.424 11.675 2.907 1.00 0.00 H new ATOM 0 HB2 PRO A 37 116.118 14.492 2.098 1.00 0.00 H new ATOM 0 HB3 PRO A 37 115.205 13.973 3.501 1.00 0.00 H new ATOM 0 HG2 PRO A 37 117.603 14.933 3.923 1.00 0.00 H new ATOM 0 HG3 PRO A 37 117.191 13.435 4.734 1.00 0.00 H new ATOM 0 HD2 PRO A 37 118.616 13.754 2.062 1.00 0.00 H new ATOM 0 HD3 PRO A 37 119.210 12.935 3.493 1.00 0.00 H new ATOM 640 N ASP A 38 116.880 12.150 0.162 1.00 0.00 N ATOM 641 CA ASP A 38 116.875 12.090 -1.259 1.00 0.00 C ATOM 642 C ASP A 38 117.172 10.649 -1.733 1.00 0.00 C ATOM 643 O ASP A 38 117.004 10.318 -2.900 1.00 0.00 O ATOM 644 CB ASP A 38 117.928 13.070 -1.772 1.00 0.00 C ATOM 645 CG ASP A 38 117.990 13.209 -3.283 1.00 0.00 C ATOM 646 OD1 ASP A 38 117.292 14.092 -3.835 1.00 0.00 O ATOM 647 OD2 ASP A 38 118.772 12.485 -3.937 1.00 0.00 O ATOM 0 H ASP A 38 117.816 12.066 0.558 1.00 0.00 H new ATOM 0 HA ASP A 38 115.897 12.365 -1.653 1.00 0.00 H new ATOM 0 HB2 ASP A 38 117.732 14.051 -1.339 1.00 0.00 H new ATOM 0 HB3 ASP A 38 118.906 12.752 -1.411 1.00 0.00 H new ATOM 652 N GLU A 39 117.559 9.775 -0.809 1.00 0.00 N ATOM 653 CA GLU A 39 117.871 8.409 -1.177 1.00 0.00 C ATOM 654 C GLU A 39 117.170 7.429 -0.260 1.00 0.00 C ATOM 655 O GLU A 39 117.440 7.400 0.954 1.00 0.00 O ATOM 656 CB GLU A 39 119.383 8.156 -1.218 1.00 0.00 C ATOM 657 CG GLU A 39 119.747 6.746 -1.659 1.00 0.00 C ATOM 658 CD GLU A 39 121.207 6.582 -1.966 1.00 0.00 C ATOM 659 OE1 GLU A 39 121.632 7.010 -3.069 1.00 0.00 O ATOM 660 OE2 GLU A 39 121.945 5.993 -1.168 1.00 0.00 O ATOM 0 H GLU A 39 117.661 9.988 0.183 1.00 0.00 H new ATOM 0 HA GLU A 39 117.497 8.250 -2.189 1.00 0.00 H new ATOM 0 HB2 GLU A 39 119.846 8.872 -1.897 1.00 0.00 H new ATOM 0 HB3 GLU A 39 119.802 8.339 -0.228 1.00 0.00 H new ATOM 0 HG2 GLU A 39 119.466 6.043 -0.875 1.00 0.00 H new ATOM 0 HG3 GLU A 39 119.165 6.487 -2.543 1.00 0.00 H new ATOM 667 N PHE A 40 116.327 6.610 -0.899 1.00 0.00 N ATOM 668 CA PHE A 40 115.420 5.599 -0.297 1.00 0.00 C ATOM 669 C PHE A 40 116.150 4.290 -0.106 1.00 0.00 C ATOM 670 O PHE A 40 117.264 4.110 -0.621 1.00 0.00 O ATOM 671 CB PHE A 40 114.211 5.319 -1.204 1.00 0.00 C ATOM 672 CG PHE A 40 113.512 6.513 -1.798 1.00 0.00 C ATOM 673 CD1 PHE A 40 113.165 7.609 -1.029 1.00 0.00 C ATOM 674 CD2 PHE A 40 113.202 6.521 -3.149 1.00 0.00 C ATOM 675 CE1 PHE A 40 112.516 8.689 -1.601 1.00 0.00 C ATOM 676 CE2 PHE A 40 112.554 7.591 -3.723 1.00 0.00 C ATOM 677 CZ PHE A 40 112.210 8.674 -2.953 1.00 0.00 C ATOM 0 H PHE A 40 116.247 6.629 -1.916 1.00 0.00 H new ATOM 0 HA PHE A 40 115.083 6.003 0.657 1.00 0.00 H new ATOM 0 HB2 PHE A 40 114.542 4.679 -2.022 1.00 0.00 H new ATOM 0 HB3 PHE A 40 113.480 4.750 -0.629 1.00 0.00 H new ATOM 0 HD1 PHE A 40 113.402 7.622 0.025 1.00 0.00 H new ATOM 0 HD2 PHE A 40 113.473 5.674 -3.761 1.00 0.00 H new ATOM 0 HE1 PHE A 40 112.248 9.542 -0.995 1.00 0.00 H new ATOM 0 HE2 PHE A 40 112.317 7.579 -4.777 1.00 0.00 H new ATOM 0 HZ PHE A 40 111.701 9.515 -3.401 1.00 0.00 H new ATOM 687 N LEU A 41 115.559 3.392 0.673 1.00 0.00 N ATOM 688 CA LEU A 41 116.211 2.127 0.943 1.00 0.00 C ATOM 689 C LEU A 41 115.730 1.089 -0.050 1.00 0.00 C ATOM 690 O LEU A 41 114.636 1.170 -0.487 1.00 0.00 O ATOM 691 CB LEU A 41 116.000 1.614 2.355 1.00 0.00 C ATOM 692 CG LEU A 41 116.567 2.401 3.520 1.00 0.00 C ATOM 693 CD1 LEU A 41 115.697 3.608 3.908 1.00 0.00 C ATOM 694 CD2 LEU A 41 116.797 1.468 4.688 1.00 0.00 C ATOM 0 H LEU A 41 114.650 3.516 1.118 1.00 0.00 H new ATOM 0 HA LEU A 41 117.281 2.304 0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 41 114.926 1.522 2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 41 116.417 0.608 2.404 1.00 0.00 H new ATOM 0 HG LEU A 41 117.521 2.826 3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 41 116.155 4.131 4.748 1.00 0.00 H new ATOM 0 HD12 LEU A 41 115.616 4.286 3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 41 114.703 3.263 4.193 1.00 0.00 H new ATOM 0 HD21 LEU A 41 117.205 2.030 5.528 1.00 0.00 H new ATOM 0 HD22 LEU A 41 115.851 1.012 4.981 1.00 0.00 H new ATOM 0 HD23 LEU A 41 117.501 0.688 4.398 1.00 0.00 H new ATOM 706 N GLN A 42 116.565 0.162 -0.448 1.00 0.00 N ATOM 707 CA GLN A 42 116.182 -0.830 -1.429 1.00 0.00 C ATOM 708 C GLN A 42 116.716 -2.192 -1.024 1.00 0.00 C ATOM 709 O GLN A 42 117.775 -2.292 -0.530 1.00 0.00 O ATOM 710 CB GLN A 42 116.784 -0.430 -2.733 1.00 0.00 C ATOM 711 CG GLN A 42 116.370 -1.286 -3.908 1.00 0.00 C ATOM 712 CD GLN A 42 116.999 -0.834 -5.206 1.00 0.00 C ATOM 713 OE1 GLN A 42 116.443 -0.010 -5.920 1.00 0.00 O ATOM 714 NE2 GLN A 42 118.157 -1.353 -5.523 1.00 0.00 N ATOM 0 H GLN A 42 117.522 0.071 -0.107 1.00 0.00 H new ATOM 0 HA GLN A 42 115.096 -0.890 -1.504 1.00 0.00 H new ATOM 0 HB2 GLN A 42 116.512 0.605 -2.941 1.00 0.00 H new ATOM 0 HB3 GLN A 42 117.870 -0.462 -2.642 1.00 0.00 H new ATOM 0 HG2 GLN A 42 116.649 -2.322 -3.715 1.00 0.00 H new ATOM 0 HG3 GLN A 42 115.285 -1.261 -4.006 1.00 0.00 H new ATOM 0 HE21 GLN A 42 118.595 -2.038 -4.907 1.00 0.00 H new ATOM 0 HE22 GLN A 42 118.622 -1.073 -6.386 1.00 0.00 H new ATOM 723 N ILE A 43 116.006 -3.215 -1.288 1.00 0.00 N ATOM 724 CA ILE A 43 116.409 -4.548 -0.831 1.00 0.00 C ATOM 725 C ILE A 43 117.462 -5.130 -1.743 1.00 0.00 C ATOM 726 O ILE A 43 117.218 -5.307 -2.942 1.00 0.00 O ATOM 727 CB ILE A 43 115.212 -5.528 -0.729 1.00 0.00 C ATOM 728 CG1 ILE A 43 114.076 -4.886 0.064 1.00 0.00 C ATOM 729 CG2 ILE A 43 115.641 -6.855 -0.077 1.00 0.00 C ATOM 730 CD1 ILE A 43 114.494 -4.342 1.408 1.00 0.00 C ATOM 0 H ILE A 43 115.135 -3.190 -1.818 1.00 0.00 H new ATOM 0 HA ILE A 43 116.821 -4.421 0.170 1.00 0.00 H new ATOM 0 HB ILE A 43 114.859 -5.747 -1.737 1.00 0.00 H new ATOM 0 HG12 ILE A 43 113.647 -4.076 -0.526 1.00 0.00 H new ATOM 0 HG13 ILE A 43 113.288 -5.624 0.212 1.00 0.00 H new ATOM 0 HG21 ILE A 43 114.783 -7.525 -0.017 1.00 0.00 H new ATOM 0 HG22 ILE A 43 116.423 -7.319 -0.678 1.00 0.00 H new ATOM 0 HG23 ILE A 43 116.021 -6.661 0.926 1.00 0.00 H new ATOM 0 HD11 ILE A 43 113.630 -3.903 1.908 1.00 0.00 H new ATOM 0 HD12 ILE A 43 114.895 -5.151 2.019 1.00 0.00 H new ATOM 0 HD13 ILE A 43 115.260 -3.579 1.269 1.00 0.00 H new ATOM 742 N LYS A 44 118.624 -5.432 -1.181 1.00 0.00 N ATOM 743 CA LYS A 44 119.723 -5.960 -1.966 1.00 0.00 C ATOM 744 C LYS A 44 119.843 -7.450 -1.815 1.00 0.00 C ATOM 745 O LYS A 44 120.454 -8.110 -2.660 1.00 0.00 O ATOM 746 CB LYS A 44 121.055 -5.320 -1.614 1.00 0.00 C ATOM 747 CG LYS A 44 121.556 -5.614 -0.186 1.00 0.00 C ATOM 748 CD LYS A 44 123.062 -5.417 -0.062 1.00 0.00 C ATOM 749 CE LYS A 44 123.572 -5.686 1.341 1.00 0.00 C ATOM 750 NZ LYS A 44 125.053 -5.708 1.392 1.00 0.00 N ATOM 0 H LYS A 44 118.827 -5.320 -0.188 1.00 0.00 H new ATOM 0 HA LYS A 44 119.487 -5.715 -3.002 1.00 0.00 H new ATOM 0 HB2 LYS A 44 121.806 -5.663 -2.325 1.00 0.00 H new ATOM 0 HB3 LYS A 44 120.968 -4.241 -1.738 1.00 0.00 H new ATOM 0 HG2 LYS A 44 121.045 -4.960 0.520 1.00 0.00 H new ATOM 0 HG3 LYS A 44 121.300 -6.638 0.085 1.00 0.00 H new ATOM 0 HD2 LYS A 44 123.570 -6.080 -0.763 1.00 0.00 H new ATOM 0 HD3 LYS A 44 123.316 -4.396 -0.347 1.00 0.00 H new ATOM 0 HE2 LYS A 44 123.196 -4.919 2.018 1.00 0.00 H new ATOM 0 HE3 LYS A 44 123.182 -6.641 1.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 125.363 -6.091 2.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 125.418 -6.308 0.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 125.419 -4.741 1.279 1.00 0.00 H new ATOM 764 N SER A 45 119.313 -7.979 -0.745 1.00 0.00 N ATOM 765 CA SER A 45 119.287 -9.398 -0.521 1.00 0.00 C ATOM 766 C SER A 45 118.192 -9.714 0.468 1.00 0.00 C ATOM 767 O SER A 45 118.114 -9.087 1.534 1.00 0.00 O ATOM 768 CB SER A 45 120.636 -9.893 0.048 1.00 0.00 C ATOM 769 OG SER A 45 121.732 -9.613 -0.829 1.00 0.00 O ATOM 0 H SER A 45 118.884 -7.432 0.001 1.00 0.00 H new ATOM 0 HA SER A 45 119.106 -9.900 -1.472 1.00 0.00 H new ATOM 0 HB2 SER A 45 120.816 -9.420 1.013 1.00 0.00 H new ATOM 0 HB3 SER A 45 120.581 -10.967 0.225 1.00 0.00 H new ATOM 0 HG SER A 45 121.388 -9.316 -1.698 1.00 0.00 H new ATOM 775 N LEU A 46 117.325 -10.625 0.118 1.00 0.00 N ATOM 776 CA LEU A 46 116.374 -11.095 1.034 1.00 0.00 C ATOM 777 C LEU A 46 117.062 -12.181 1.823 1.00 0.00 C ATOM 778 O LEU A 46 117.623 -13.123 1.242 1.00 0.00 O ATOM 779 CB LEU A 46 115.085 -11.575 0.329 1.00 0.00 C ATOM 780 CG LEU A 46 115.136 -12.851 -0.505 1.00 0.00 C ATOM 781 CD1 LEU A 46 114.672 -14.047 0.299 1.00 0.00 C ATOM 782 CD2 LEU A 46 114.296 -12.684 -1.716 1.00 0.00 C ATOM 0 H LEU A 46 117.274 -11.048 -0.809 1.00 0.00 H new ATOM 0 HA LEU A 46 116.032 -10.304 1.701 1.00 0.00 H new ATOM 0 HB2 LEU A 46 114.321 -11.711 1.095 1.00 0.00 H new ATOM 0 HB3 LEU A 46 114.745 -10.769 -0.321 1.00 0.00 H new ATOM 0 HG LEU A 46 116.169 -13.032 -0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 46 114.719 -14.942 -0.321 1.00 0.00 H new ATOM 0 HD12 LEU A 46 115.317 -14.173 1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 46 113.645 -13.888 0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 46 114.332 -13.596 -2.312 1.00 0.00 H new ATOM 0 HD22 LEU A 46 113.266 -12.485 -1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 46 114.672 -11.849 -2.307 1.00 0.00 H new ATOM 794 N VAL A 47 117.131 -12.014 3.087 1.00 0.00 N ATOM 795 CA VAL A 47 117.805 -12.948 3.919 1.00 0.00 C ATOM 796 C VAL A 47 116.849 -14.072 4.269 1.00 0.00 C ATOM 797 O VAL A 47 115.694 -13.835 4.657 1.00 0.00 O ATOM 798 CB VAL A 47 118.364 -12.253 5.192 1.00 0.00 C ATOM 799 CG1 VAL A 47 118.993 -13.250 6.131 1.00 0.00 C ATOM 800 CG2 VAL A 47 119.381 -11.175 4.815 1.00 0.00 C ATOM 0 H VAL A 47 116.721 -11.223 3.583 1.00 0.00 H new ATOM 0 HA VAL A 47 118.660 -13.365 3.386 1.00 0.00 H new ATOM 0 HB VAL A 47 117.525 -11.784 5.706 1.00 0.00 H new ATOM 0 HG11 VAL A 47 119.374 -12.731 7.011 1.00 0.00 H new ATOM 0 HG12 VAL A 47 118.246 -13.983 6.437 1.00 0.00 H new ATOM 0 HG13 VAL A 47 119.814 -13.758 5.625 1.00 0.00 H new ATOM 0 HG21 VAL A 47 119.760 -10.700 5.720 1.00 0.00 H new ATOM 0 HG22 VAL A 47 120.208 -11.630 4.270 1.00 0.00 H new ATOM 0 HG23 VAL A 47 118.900 -10.425 4.186 1.00 0.00 H new ATOM 810 N LEU A 48 117.308 -15.283 4.061 1.00 0.00 N ATOM 811 CA LEU A 48 116.530 -16.460 4.345 1.00 0.00 C ATOM 812 C LEU A 48 116.232 -16.519 5.815 1.00 0.00 C ATOM 813 O LEU A 48 117.107 -16.203 6.635 1.00 0.00 O ATOM 814 CB LEU A 48 117.269 -17.711 3.887 1.00 0.00 C ATOM 815 CG LEU A 48 117.587 -17.783 2.392 1.00 0.00 C ATOM 816 CD1 LEU A 48 118.354 -19.053 2.070 1.00 0.00 C ATOM 817 CD2 LEU A 48 116.315 -17.703 1.558 1.00 0.00 C ATOM 0 H LEU A 48 118.237 -15.478 3.688 1.00 0.00 H new ATOM 0 HA LEU A 48 115.589 -16.411 3.797 1.00 0.00 H new ATOM 0 HB2 LEU A 48 118.204 -17.782 4.443 1.00 0.00 H new ATOM 0 HB3 LEU A 48 116.672 -18.582 4.155 1.00 0.00 H new ATOM 0 HG LEU A 48 118.212 -16.926 2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 48 118.571 -19.086 1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 48 119.289 -19.066 2.631 1.00 0.00 H new ATOM 0 HD13 LEU A 48 117.754 -19.920 2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 48 116.570 -17.756 0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 48 115.658 -18.534 1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 48 115.805 -16.761 1.761 1.00 0.00 H new ATOM 829 N ASP A 49 114.991 -16.899 6.133 1.00 0.00 N ATOM 830 CA ASP A 49 114.452 -16.960 7.506 1.00 0.00 C ATOM 831 C ASP A 49 113.992 -15.561 7.977 1.00 0.00 C ATOM 832 O ASP A 49 113.610 -15.346 9.131 1.00 0.00 O ATOM 833 CB ASP A 49 115.436 -17.658 8.475 1.00 0.00 C ATOM 834 CG ASP A 49 114.888 -17.923 9.860 1.00 0.00 C ATOM 835 OD1 ASP A 49 113.932 -18.725 10.004 1.00 0.00 O ATOM 836 OD2 ASP A 49 115.440 -17.391 10.836 1.00 0.00 O ATOM 0 H ASP A 49 114.311 -17.181 5.428 1.00 0.00 H new ATOM 0 HA ASP A 49 113.561 -17.587 7.505 1.00 0.00 H new ATOM 0 HB2 ASP A 49 115.745 -18.606 8.035 1.00 0.00 H new ATOM 0 HB3 ASP A 49 116.331 -17.043 8.566 1.00 0.00 H new ATOM 841 N GLY A 50 114.004 -14.628 7.038 1.00 0.00 N ATOM 842 CA GLY A 50 113.492 -13.293 7.253 1.00 0.00 C ATOM 843 C GLY A 50 112.047 -13.237 6.871 1.00 0.00 C ATOM 844 O GLY A 50 111.652 -14.017 6.035 1.00 0.00 O ATOM 0 H GLY A 50 114.373 -14.782 6.100 1.00 0.00 H new ATOM 0 HA2 GLY A 50 113.612 -13.012 8.299 1.00 0.00 H new ATOM 0 HA3 GLY A 50 114.062 -12.576 6.662 1.00 0.00 H new ATOM 848 N PRO A 51 111.237 -12.247 7.312 1.00 0.00 N ATOM 849 CA PRO A 51 109.816 -12.326 7.126 1.00 0.00 C ATOM 850 C PRO A 51 109.462 -12.109 5.657 1.00 0.00 C ATOM 851 O PRO A 51 108.462 -12.583 5.170 1.00 0.00 O ATOM 852 CB PRO A 51 109.259 -11.290 8.114 1.00 0.00 C ATOM 853 CG PRO A 51 110.361 -10.319 8.373 1.00 0.00 C ATOM 854 CD PRO A 51 111.624 -10.900 7.778 1.00 0.00 C ATOM 0 HA PRO A 51 109.374 -13.300 7.338 1.00 0.00 H new ATOM 0 HB2 PRO A 51 108.387 -10.786 7.697 1.00 0.00 H new ATOM 0 HB3 PRO A 51 108.938 -11.769 9.039 1.00 0.00 H new ATOM 0 HG2 PRO A 51 110.134 -9.352 7.924 1.00 0.00 H new ATOM 0 HG3 PRO A 51 110.482 -10.152 9.443 1.00 0.00 H new ATOM 0 HD2 PRO A 51 111.992 -10.287 6.955 1.00 0.00 H new ATOM 0 HD3 PRO A 51 112.422 -10.952 8.518 1.00 0.00 H new ATOM 862 N ALA A 52 110.356 -11.412 4.966 1.00 0.00 N ATOM 863 CA ALA A 52 110.293 -11.191 3.540 1.00 0.00 C ATOM 864 C ALA A 52 110.344 -12.531 2.824 1.00 0.00 C ATOM 865 O ALA A 52 109.479 -12.854 1.999 1.00 0.00 O ATOM 866 CB ALA A 52 111.500 -10.375 3.136 1.00 0.00 C ATOM 0 H ALA A 52 111.167 -10.975 5.403 1.00 0.00 H new ATOM 0 HA ALA A 52 109.372 -10.670 3.278 1.00 0.00 H new ATOM 0 HB1 ALA A 52 111.474 -10.195 2.061 1.00 0.00 H new ATOM 0 HB2 ALA A 52 111.488 -9.421 3.664 1.00 0.00 H new ATOM 0 HB3 ALA A 52 112.409 -10.919 3.391 1.00 0.00 H new ATOM 872 N ALA A 53 111.332 -13.325 3.221 1.00 0.00 N ATOM 873 CA ALA A 53 111.600 -14.632 2.665 1.00 0.00 C ATOM 874 C ALA A 53 110.431 -15.533 2.894 1.00 0.00 C ATOM 875 O ALA A 53 109.922 -16.194 1.990 1.00 0.00 O ATOM 876 CB ALA A 53 112.816 -15.226 3.376 1.00 0.00 C ATOM 0 H ALA A 53 111.984 -13.063 3.961 1.00 0.00 H new ATOM 0 HA ALA A 53 111.784 -14.539 1.595 1.00 0.00 H new ATOM 0 HB1 ALA A 53 113.030 -16.213 2.967 1.00 0.00 H new ATOM 0 HB2 ALA A 53 113.678 -14.576 3.227 1.00 0.00 H new ATOM 0 HB3 ALA A 53 112.608 -15.313 4.442 1.00 0.00 H new ATOM 882 N LEU A 54 110.016 -15.506 4.101 1.00 0.00 N ATOM 883 CA LEU A 54 109.038 -16.353 4.642 1.00 0.00 C ATOM 884 C LEU A 54 107.635 -16.093 4.183 1.00 0.00 C ATOM 885 O LEU A 54 106.870 -17.032 3.944 1.00 0.00 O ATOM 886 CB LEU A 54 109.166 -16.223 6.056 1.00 0.00 C ATOM 887 CG LEU A 54 110.565 -16.571 6.497 1.00 0.00 C ATOM 888 CD1 LEU A 54 110.577 -16.477 7.871 1.00 0.00 C ATOM 889 CD2 LEU A 54 110.997 -17.963 6.048 1.00 0.00 C ATOM 0 H LEU A 54 110.380 -14.841 4.783 1.00 0.00 H new ATOM 0 HA LEU A 54 109.212 -17.370 4.291 1.00 0.00 H new ATOM 0 HB2 LEU A 54 108.928 -15.202 6.356 1.00 0.00 H new ATOM 0 HB3 LEU A 54 108.449 -16.877 6.553 1.00 0.00 H new ATOM 0 HG LEU A 54 111.276 -15.885 6.038 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.572 -16.720 8.244 1.00 0.00 H new ATOM 0 HD12 LEU A 54 110.316 -15.461 8.168 1.00 0.00 H new ATOM 0 HD13 LEU A 54 109.852 -17.175 8.290 1.00 0.00 H new ATOM 0 HD21 LEU A 54 112.012 -18.158 6.394 1.00 0.00 H new ATOM 0 HD22 LEU A 54 110.321 -18.707 6.469 1.00 0.00 H new ATOM 0 HD23 LEU A 54 110.967 -18.020 4.960 1.00 0.00 H new ATOM 901 N ASP A 55 107.280 -14.823 4.068 1.00 0.00 N ATOM 902 CA ASP A 55 105.946 -14.443 3.586 1.00 0.00 C ATOM 903 C ASP A 55 105.922 -14.643 2.091 1.00 0.00 C ATOM 904 O ASP A 55 104.878 -14.828 1.460 1.00 0.00 O ATOM 905 CB ASP A 55 105.646 -12.976 3.924 1.00 0.00 C ATOM 906 CG ASP A 55 104.183 -12.612 3.793 1.00 0.00 C ATOM 907 OD1 ASP A 55 103.428 -12.814 4.777 1.00 0.00 O ATOM 908 OD2 ASP A 55 103.761 -12.093 2.745 1.00 0.00 O ATOM 0 H ASP A 55 107.887 -14.036 4.298 1.00 0.00 H new ATOM 0 HA ASP A 55 105.186 -15.058 4.068 1.00 0.00 H new ATOM 0 HB2 ASP A 55 105.973 -12.773 4.944 1.00 0.00 H new ATOM 0 HB3 ASP A 55 106.232 -12.333 3.267 1.00 0.00 H new ATOM 913 N GLY A 56 107.141 -14.646 1.548 1.00 0.00 N ATOM 914 CA GLY A 56 107.383 -14.890 0.143 1.00 0.00 C ATOM 915 C GLY A 56 106.735 -13.898 -0.767 1.00 0.00 C ATOM 916 O GLY A 56 106.373 -14.229 -1.902 1.00 0.00 O ATOM 0 H GLY A 56 107.991 -14.476 2.086 1.00 0.00 H new ATOM 0 HA2 GLY A 56 108.458 -14.884 -0.036 1.00 0.00 H new ATOM 0 HA3 GLY A 56 107.024 -15.888 -0.109 1.00 0.00 H new ATOM 920 N LYS A 57 106.602 -12.696 -0.300 1.00 0.00 N ATOM 921 CA LYS A 57 105.910 -11.675 -1.044 1.00 0.00 C ATOM 922 C LYS A 57 106.714 -10.367 -1.065 1.00 0.00 C ATOM 923 O LYS A 57 106.338 -9.388 -1.703 1.00 0.00 O ATOM 924 CB LYS A 57 104.526 -11.511 -0.418 1.00 0.00 C ATOM 925 CG LYS A 57 103.615 -10.493 -1.066 1.00 0.00 C ATOM 926 CD LYS A 57 102.242 -10.515 -0.431 1.00 0.00 C ATOM 927 CE LYS A 57 101.307 -9.528 -1.097 1.00 0.00 C ATOM 928 NZ LYS A 57 101.055 -9.847 -2.523 1.00 0.00 N ATOM 0 H LYS A 57 106.966 -12.390 0.602 1.00 0.00 H new ATOM 0 HA LYS A 57 105.798 -11.962 -2.090 1.00 0.00 H new ATOM 0 HB2 LYS A 57 104.025 -12.479 -0.436 1.00 0.00 H new ATOM 0 HB3 LYS A 57 104.654 -11.238 0.629 1.00 0.00 H new ATOM 0 HG2 LYS A 57 104.049 -9.498 -0.970 1.00 0.00 H new ATOM 0 HG3 LYS A 57 103.530 -10.702 -2.132 1.00 0.00 H new ATOM 0 HD2 LYS A 57 101.823 -11.519 -0.502 1.00 0.00 H new ATOM 0 HD3 LYS A 57 102.327 -10.279 0.630 1.00 0.00 H new ATOM 0 HE2 LYS A 57 100.359 -9.514 -0.560 1.00 0.00 H new ATOM 0 HE3 LYS A 57 101.731 -8.526 -1.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 100.252 -9.284 -2.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 101.902 -9.622 -3.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 100.835 -10.859 -2.619 1.00 0.00 H new ATOM 942 N MET A 58 107.836 -10.382 -0.410 1.00 0.00 N ATOM 943 CA MET A 58 108.721 -9.243 -0.356 1.00 0.00 C ATOM 944 C MET A 58 110.087 -9.791 -0.652 1.00 0.00 C ATOM 945 O MET A 58 110.505 -10.774 -0.034 1.00 0.00 O ATOM 946 CB MET A 58 108.599 -8.573 1.020 1.00 0.00 C ATOM 947 CG MET A 58 109.379 -7.305 1.235 1.00 0.00 C ATOM 948 SD MET A 58 111.107 -7.541 1.610 1.00 0.00 S ATOM 949 CE MET A 58 111.490 -5.906 2.168 1.00 0.00 C ATOM 0 H MET A 58 108.172 -11.192 0.110 1.00 0.00 H new ATOM 0 HA MET A 58 108.484 -8.461 -1.077 1.00 0.00 H new ATOM 0 HB2 MET A 58 107.546 -8.357 1.199 1.00 0.00 H new ATOM 0 HB3 MET A 58 108.910 -9.294 1.776 1.00 0.00 H new ATOM 0 HG2 MET A 58 109.297 -6.689 0.339 1.00 0.00 H new ATOM 0 HG3 MET A 58 108.918 -6.746 2.049 1.00 0.00 H new ATOM 0 HE1 MET A 58 112.491 -5.894 2.599 1.00 0.00 H new ATOM 0 HE2 MET A 58 111.449 -5.215 1.326 1.00 0.00 H new ATOM 0 HE3 MET A 58 110.766 -5.600 2.923 1.00 0.00 H new ATOM 959 N GLU A 59 110.740 -9.230 -1.634 1.00 0.00 N ATOM 960 CA GLU A 59 111.931 -9.824 -2.200 1.00 0.00 C ATOM 961 C GLU A 59 112.968 -8.783 -2.568 1.00 0.00 C ATOM 962 O GLU A 59 112.704 -7.580 -2.573 1.00 0.00 O ATOM 963 CB GLU A 59 111.568 -10.596 -3.480 1.00 0.00 C ATOM 964 CG GLU A 59 110.564 -11.718 -3.287 1.00 0.00 C ATOM 965 CD GLU A 59 110.317 -12.495 -4.544 1.00 0.00 C ATOM 966 OE1 GLU A 59 109.482 -12.076 -5.373 1.00 0.00 O ATOM 967 OE2 GLU A 59 110.936 -13.555 -4.727 1.00 0.00 O ATOM 0 H GLU A 59 110.465 -8.348 -2.067 1.00 0.00 H new ATOM 0 HA GLU A 59 112.347 -10.486 -1.441 1.00 0.00 H new ATOM 0 HB2 GLU A 59 111.168 -9.892 -4.210 1.00 0.00 H new ATOM 0 HB3 GLU A 59 112.480 -11.014 -3.906 1.00 0.00 H new ATOM 0 HG2 GLU A 59 110.925 -12.394 -2.512 1.00 0.00 H new ATOM 0 HG3 GLU A 59 109.622 -11.300 -2.932 1.00 0.00 H new ATOM 974 N THR A 60 114.163 -9.270 -2.844 1.00 0.00 N ATOM 975 CA THR A 60 115.246 -8.485 -3.330 1.00 0.00 C ATOM 976 C THR A 60 114.805 -7.778 -4.612 1.00 0.00 C ATOM 977 O THR A 60 114.435 -8.443 -5.599 1.00 0.00 O ATOM 978 CB THR A 60 116.393 -9.413 -3.688 1.00 0.00 C ATOM 979 OG1 THR A 60 116.557 -10.422 -2.677 1.00 0.00 O ATOM 980 CG2 THR A 60 117.643 -8.638 -3.798 1.00 0.00 C ATOM 0 H THR A 60 114.398 -10.256 -2.727 1.00 0.00 H new ATOM 0 HA THR A 60 115.550 -7.762 -2.573 1.00 0.00 H new ATOM 0 HB THR A 60 116.166 -9.892 -4.640 1.00 0.00 H new ATOM 0 HG1 THR A 60 117.299 -11.014 -2.922 1.00 0.00 H new ATOM 0 HG21 THR A 60 118.464 -9.307 -4.055 1.00 0.00 H new ATOM 0 HG22 THR A 60 117.535 -7.881 -4.575 1.00 0.00 H new ATOM 0 HG23 THR A 60 117.855 -8.152 -2.845 1.00 0.00 H new ATOM 988 N GLY A 61 114.836 -6.484 -4.600 1.00 0.00 N ATOM 989 CA GLY A 61 114.384 -5.738 -5.728 1.00 0.00 C ATOM 990 C GLY A 61 113.349 -4.724 -5.312 1.00 0.00 C ATOM 991 O GLY A 61 113.105 -3.744 -6.017 1.00 0.00 O ATOM 0 H GLY A 61 115.171 -5.921 -3.818 1.00 0.00 H new ATOM 0 HA2 GLY A 61 115.227 -5.233 -6.199 1.00 0.00 H new ATOM 0 HA3 GLY A 61 113.961 -6.413 -6.472 1.00 0.00 H new ATOM 995 N ASP A 62 112.711 -4.982 -4.173 1.00 0.00 N ATOM 996 CA ASP A 62 111.757 -4.032 -3.608 1.00 0.00 C ATOM 997 C ASP A 62 112.491 -2.845 -3.053 1.00 0.00 C ATOM 998 O ASP A 62 113.512 -2.992 -2.402 1.00 0.00 O ATOM 999 CB ASP A 62 110.919 -4.625 -2.456 1.00 0.00 C ATOM 1000 CG ASP A 62 109.804 -5.565 -2.864 1.00 0.00 C ATOM 1001 OD1 ASP A 62 108.899 -5.145 -3.601 1.00 0.00 O ATOM 1002 OD2 ASP A 62 109.803 -6.750 -2.453 1.00 0.00 O ATOM 0 H ASP A 62 112.836 -5.834 -3.627 1.00 0.00 H new ATOM 0 HA ASP A 62 111.087 -3.758 -4.423 1.00 0.00 H new ATOM 0 HB2 ASP A 62 111.589 -5.159 -1.782 1.00 0.00 H new ATOM 0 HB3 ASP A 62 110.485 -3.802 -1.888 1.00 0.00 H new ATOM 1007 N VAL A 63 112.013 -1.687 -3.323 1.00 0.00 N ATOM 1008 CA VAL A 63 112.555 -0.509 -2.725 1.00 0.00 C ATOM 1009 C VAL A 63 111.638 0.015 -1.640 1.00 0.00 C ATOM 1010 O VAL A 63 110.458 0.296 -1.872 1.00 0.00 O ATOM 1011 CB VAL A 63 113.067 0.586 -3.748 1.00 0.00 C ATOM 1012 CG1 VAL A 63 112.356 0.489 -5.067 1.00 0.00 C ATOM 1013 CG2 VAL A 63 112.955 2.009 -3.190 1.00 0.00 C ATOM 0 H VAL A 63 111.236 -1.521 -3.963 1.00 0.00 H new ATOM 0 HA VAL A 63 113.483 -0.807 -2.237 1.00 0.00 H new ATOM 0 HB VAL A 63 114.125 0.376 -3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 63 112.735 1.257 -5.742 1.00 0.00 H new ATOM 0 HG12 VAL A 63 112.530 -0.495 -5.503 1.00 0.00 H new ATOM 0 HG13 VAL A 63 111.286 0.635 -4.915 1.00 0.00 H new ATOM 0 HG21 VAL A 63 113.319 2.720 -3.931 1.00 0.00 H new ATOM 0 HG22 VAL A 63 111.913 2.228 -2.958 1.00 0.00 H new ATOM 0 HG23 VAL A 63 113.553 2.092 -2.283 1.00 0.00 H new ATOM 1023 N ILE A 64 112.193 0.070 -0.452 1.00 0.00 N ATOM 1024 CA ILE A 64 111.529 0.491 0.742 1.00 0.00 C ATOM 1025 C ILE A 64 111.247 1.985 0.699 1.00 0.00 C ATOM 1026 O ILE A 64 112.209 2.857 0.735 1.00 0.00 O ATOM 1027 CB ILE A 64 112.344 0.139 2.024 1.00 0.00 C ATOM 1028 CG1 ILE A 64 112.531 -1.381 2.164 1.00 0.00 C ATOM 1029 CG2 ILE A 64 111.695 0.721 3.290 1.00 0.00 C ATOM 1030 CD1 ILE A 64 111.235 -2.165 2.297 1.00 0.00 C ATOM 0 H ILE A 64 113.166 -0.192 -0.293 1.00 0.00 H new ATOM 0 HA ILE A 64 110.586 -0.053 0.791 1.00 0.00 H new ATOM 0 HB ILE A 64 113.327 0.597 1.914 1.00 0.00 H new ATOM 0 HG12 ILE A 64 113.076 -1.749 1.295 1.00 0.00 H new ATOM 0 HG13 ILE A 64 113.152 -1.579 3.037 1.00 0.00 H new ATOM 0 HG21 ILE A 64 112.293 0.454 4.161 1.00 0.00 H new ATOM 0 HG22 ILE A 64 111.642 1.806 3.206 1.00 0.00 H new ATOM 0 HG23 ILE A 64 110.689 0.316 3.402 1.00 0.00 H new ATOM 0 HD11 ILE A 64 111.460 -3.227 2.391 1.00 0.00 H new ATOM 0 HD12 ILE A 64 110.696 -1.829 3.183 1.00 0.00 H new ATOM 0 HD13 ILE A 64 110.619 -2.001 1.413 1.00 0.00 H new ATOM 1042 N VAL A 65 109.946 2.250 0.606 1.00 0.00 N ATOM 1043 CA VAL A 65 109.356 3.556 0.557 1.00 0.00 C ATOM 1044 C VAL A 65 108.968 3.978 1.975 1.00 0.00 C ATOM 1045 O VAL A 65 109.454 4.953 2.478 1.00 0.00 O ATOM 1046 CB VAL A 65 108.069 3.522 -0.348 1.00 0.00 C ATOM 1047 CG1 VAL A 65 107.353 4.862 -0.414 1.00 0.00 C ATOM 1048 CG2 VAL A 65 108.403 3.041 -1.748 1.00 0.00 C ATOM 0 H VAL A 65 109.249 1.507 0.561 1.00 0.00 H new ATOM 0 HA VAL A 65 110.070 4.266 0.139 1.00 0.00 H new ATOM 0 HB VAL A 65 107.385 2.816 0.123 1.00 0.00 H new ATOM 0 HG11 VAL A 65 106.474 4.774 -1.053 1.00 0.00 H new ATOM 0 HG12 VAL A 65 107.045 5.160 0.588 1.00 0.00 H new ATOM 0 HG13 VAL A 65 108.026 5.614 -0.825 1.00 0.00 H new ATOM 0 HG21 VAL A 65 107.497 3.027 -2.354 1.00 0.00 H new ATOM 0 HG22 VAL A 65 109.131 3.715 -2.200 1.00 0.00 H new ATOM 0 HG23 VAL A 65 108.822 2.036 -1.697 1.00 0.00 H new ATOM 1058 N SER A 66 108.137 3.207 2.627 1.00 0.00 N ATOM 1059 CA SER A 66 107.671 3.576 3.938 1.00 0.00 C ATOM 1060 C SER A 66 107.341 2.321 4.752 1.00 0.00 C ATOM 1061 O SER A 66 107.336 1.204 4.211 1.00 0.00 O ATOM 1062 CB SER A 66 106.459 4.524 3.788 1.00 0.00 C ATOM 1063 OG SER A 66 105.959 4.990 5.036 1.00 0.00 O ATOM 0 H SER A 66 107.770 2.323 2.273 1.00 0.00 H new ATOM 0 HA SER A 66 108.448 4.108 4.486 1.00 0.00 H new ATOM 0 HB2 SER A 66 106.747 5.379 3.176 1.00 0.00 H new ATOM 0 HB3 SER A 66 105.663 4.005 3.255 1.00 0.00 H new ATOM 0 HG SER A 66 106.708 5.163 5.644 1.00 0.00 H new ATOM 1069 N VAL A 67 107.076 2.499 6.032 1.00 0.00 N ATOM 1070 CA VAL A 67 106.821 1.395 6.933 1.00 0.00 C ATOM 1071 C VAL A 67 105.800 1.808 8.018 1.00 0.00 C ATOM 1072 O VAL A 67 106.081 2.672 8.855 1.00 0.00 O ATOM 1073 CB VAL A 67 108.155 0.852 7.533 1.00 0.00 C ATOM 1074 CG1 VAL A 67 108.944 1.910 8.242 1.00 0.00 C ATOM 1075 CG2 VAL A 67 107.912 -0.283 8.447 1.00 0.00 C ATOM 0 H VAL A 67 107.032 3.416 6.476 1.00 0.00 H new ATOM 0 HA VAL A 67 106.374 0.573 6.374 1.00 0.00 H new ATOM 0 HB VAL A 67 108.746 0.509 6.684 1.00 0.00 H new ATOM 0 HG11 VAL A 67 109.861 1.475 8.639 1.00 0.00 H new ATOM 0 HG12 VAL A 67 109.194 2.708 7.543 1.00 0.00 H new ATOM 0 HG13 VAL A 67 108.352 2.318 9.061 1.00 0.00 H new ATOM 0 HG21 VAL A 67 108.862 -0.637 8.847 1.00 0.00 H new ATOM 0 HG22 VAL A 67 107.271 0.041 9.267 1.00 0.00 H new ATOM 0 HG23 VAL A 67 107.424 -1.091 7.902 1.00 0.00 H new ATOM 1085 N ASN A 68 104.612 1.164 7.979 1.00 0.00 N ATOM 1086 CA ASN A 68 103.428 1.519 8.793 1.00 0.00 C ATOM 1087 C ASN A 68 103.316 2.990 9.111 1.00 0.00 C ATOM 1088 O ASN A 68 103.507 3.414 10.257 1.00 0.00 O ATOM 1089 CB ASN A 68 103.080 0.579 9.994 1.00 0.00 C ATOM 1090 CG ASN A 68 104.182 0.222 10.992 1.00 0.00 C ATOM 1091 OD1 ASN A 68 104.107 -0.826 11.618 1.00 0.00 O ATOM 1092 ND2 ASN A 68 105.193 1.021 11.143 1.00 0.00 N ATOM 0 H ASN A 68 104.446 0.365 7.367 1.00 0.00 H new ATOM 0 HA ASN A 68 102.615 1.302 8.101 1.00 0.00 H new ATOM 0 HB2 ASN A 68 102.267 1.043 10.552 1.00 0.00 H new ATOM 0 HB3 ASN A 68 102.693 -0.353 9.582 1.00 0.00 H new ATOM 0 HD21 ASN A 68 105.942 0.779 11.792 1.00 0.00 H new ATOM 0 HD22 ASN A 68 105.239 1.891 10.613 1.00 0.00 H new ATOM 1099 N ASP A 69 103.083 3.768 8.054 1.00 0.00 N ATOM 1100 CA ASP A 69 102.943 5.249 8.091 1.00 0.00 C ATOM 1101 C ASP A 69 104.268 6.000 8.306 1.00 0.00 C ATOM 1102 O ASP A 69 104.481 7.057 7.709 1.00 0.00 O ATOM 1103 CB ASP A 69 101.871 5.732 9.089 1.00 0.00 C ATOM 1104 CG ASP A 69 101.876 7.241 9.260 1.00 0.00 C ATOM 1105 OD1 ASP A 69 101.383 7.968 8.360 1.00 0.00 O ATOM 1106 OD2 ASP A 69 102.386 7.728 10.296 1.00 0.00 O ATOM 0 H ASP A 69 102.981 3.387 7.113 1.00 0.00 H new ATOM 0 HA ASP A 69 102.600 5.504 7.088 1.00 0.00 H new ATOM 0 HB2 ASP A 69 100.888 5.412 8.745 1.00 0.00 H new ATOM 0 HB3 ASP A 69 102.040 5.259 10.056 1.00 0.00 H new ATOM 1111 N THR A 70 105.149 5.455 9.132 1.00 0.00 N ATOM 1112 CA THR A 70 106.410 6.092 9.440 1.00 0.00 C ATOM 1113 C THR A 70 107.213 6.335 8.175 1.00 0.00 C ATOM 1114 O THR A 70 107.541 5.399 7.425 1.00 0.00 O ATOM 1115 CB THR A 70 107.192 5.276 10.466 1.00 0.00 C ATOM 1116 OG1 THR A 70 106.345 5.111 11.621 1.00 0.00 O ATOM 1117 CG2 THR A 70 108.476 5.987 10.881 1.00 0.00 C ATOM 0 H THR A 70 105.006 4.562 9.603 1.00 0.00 H new ATOM 0 HA THR A 70 106.208 7.065 9.887 1.00 0.00 H new ATOM 0 HB THR A 70 107.471 4.316 10.032 1.00 0.00 H new ATOM 0 HG1 THR A 70 106.818 4.588 12.301 1.00 0.00 H new ATOM 0 HG21 THR A 70 109.009 5.379 11.612 1.00 0.00 H new ATOM 0 HG22 THR A 70 109.108 6.138 10.006 1.00 0.00 H new ATOM 0 HG23 THR A 70 108.231 6.953 11.322 1.00 0.00 H new ATOM 1125 N CYS A 71 107.531 7.589 7.961 1.00 0.00 N ATOM 1126 CA CYS A 71 108.093 8.037 6.731 1.00 0.00 C ATOM 1127 C CYS A 71 109.580 7.762 6.673 1.00 0.00 C ATOM 1128 O CYS A 71 110.414 8.636 6.895 1.00 0.00 O ATOM 1129 CB CYS A 71 107.768 9.517 6.497 1.00 0.00 C ATOM 1130 SG CYS A 71 108.217 10.143 4.863 1.00 0.00 S ATOM 0 H CYS A 71 107.401 8.328 8.651 1.00 0.00 H new ATOM 0 HA CYS A 71 107.639 7.470 5.918 1.00 0.00 H new ATOM 0 HB2 CYS A 71 106.699 9.668 6.647 1.00 0.00 H new ATOM 0 HB3 CYS A 71 108.283 10.111 7.252 1.00 0.00 H new ATOM 0 HG CYS A 71 107.896 11.400 4.776 1.00 0.00 H new ATOM 1136 N VAL A 72 109.892 6.519 6.386 1.00 0.00 N ATOM 1137 CA VAL A 72 111.251 6.059 6.168 1.00 0.00 C ATOM 1138 C VAL A 72 111.670 6.409 4.727 1.00 0.00 C ATOM 1139 O VAL A 72 112.799 6.180 4.272 1.00 0.00 O ATOM 1140 CB VAL A 72 111.350 4.537 6.513 1.00 0.00 C ATOM 1141 CG1 VAL A 72 112.670 3.910 6.108 1.00 0.00 C ATOM 1142 CG2 VAL A 72 111.167 4.379 8.006 1.00 0.00 C ATOM 0 H VAL A 72 109.195 5.780 6.295 1.00 0.00 H new ATOM 0 HA VAL A 72 111.956 6.562 6.830 1.00 0.00 H new ATOM 0 HB VAL A 72 110.573 4.022 5.948 1.00 0.00 H new ATOM 0 HG11 VAL A 72 112.669 2.854 6.377 1.00 0.00 H new ATOM 0 HG12 VAL A 72 112.805 4.010 5.031 1.00 0.00 H new ATOM 0 HG13 VAL A 72 113.486 4.415 6.624 1.00 0.00 H new ATOM 0 HG21 VAL A 72 111.232 3.324 8.271 1.00 0.00 H new ATOM 0 HG22 VAL A 72 111.947 4.933 8.529 1.00 0.00 H new ATOM 0 HG23 VAL A 72 110.190 4.766 8.296 1.00 0.00 H new ATOM 1152 N LEU A 73 110.744 7.022 4.054 1.00 0.00 N ATOM 1153 CA LEU A 73 110.933 7.545 2.758 1.00 0.00 C ATOM 1154 C LEU A 73 111.897 8.690 2.902 1.00 0.00 C ATOM 1155 O LEU A 73 111.555 9.741 3.466 1.00 0.00 O ATOM 1156 CB LEU A 73 109.569 8.045 2.322 1.00 0.00 C ATOM 1157 CG LEU A 73 109.358 8.406 0.892 1.00 0.00 C ATOM 1158 CD1 LEU A 73 109.786 7.260 0.002 1.00 0.00 C ATOM 1159 CD2 LEU A 73 107.881 8.713 0.705 1.00 0.00 C ATOM 0 H LEU A 73 109.803 7.171 4.418 1.00 0.00 H new ATOM 0 HA LEU A 73 111.323 6.829 2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 73 108.839 7.278 2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 73 109.333 8.924 2.922 1.00 0.00 H new ATOM 0 HG LEU A 73 109.955 9.277 0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 73 109.629 7.532 -1.042 1.00 0.00 H new ATOM 0 HD12 LEU A 73 110.842 7.047 0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 73 109.196 6.375 0.239 1.00 0.00 H new ATOM 0 HD21 LEU A 73 107.694 8.982 -0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 73 107.291 7.834 0.965 1.00 0.00 H new ATOM 0 HD23 LEU A 73 107.597 9.544 1.351 1.00 0.00 H new ATOM 1171 N GLY A 74 113.081 8.495 2.389 1.00 0.00 N ATOM 1172 CA GLY A 74 114.109 9.461 2.558 1.00 0.00 C ATOM 1173 C GLY A 74 114.519 9.588 4.015 1.00 0.00 C ATOM 1174 O GLY A 74 114.652 10.702 4.542 1.00 0.00 O ATOM 0 H GLY A 74 113.349 7.671 1.851 1.00 0.00 H new ATOM 0 HA2 GLY A 74 114.975 9.181 1.958 1.00 0.00 H new ATOM 0 HA3 GLY A 74 113.765 10.428 2.190 1.00 0.00 H new ATOM 1178 N HIS A 75 114.651 8.470 4.675 1.00 0.00 N ATOM 1179 CA HIS A 75 115.086 8.445 6.033 1.00 0.00 C ATOM 1180 C HIS A 75 116.584 8.400 6.016 1.00 0.00 C ATOM 1181 O HIS A 75 117.171 7.767 5.142 1.00 0.00 O ATOM 1182 CB HIS A 75 114.569 7.189 6.729 1.00 0.00 C ATOM 1183 CG HIS A 75 113.927 7.423 8.054 1.00 0.00 C ATOM 1184 ND1 HIS A 75 112.741 8.100 8.242 1.00 0.00 N ATOM 1185 CD2 HIS A 75 114.317 7.027 9.259 1.00 0.00 C ATOM 1186 CE1 HIS A 75 112.461 8.090 9.540 1.00 0.00 C ATOM 1187 NE2 HIS A 75 113.395 7.448 10.213 1.00 0.00 N ATOM 0 H HIS A 75 114.458 7.550 4.279 1.00 0.00 H new ATOM 0 HA HIS A 75 114.713 9.320 6.565 1.00 0.00 H new ATOM 0 HB2 HIS A 75 113.848 6.699 6.074 1.00 0.00 H new ATOM 0 HB3 HIS A 75 115.401 6.497 6.862 1.00 0.00 H new ATOM 0 HD1 HIS A 75 112.177 8.533 7.511 1.00 0.00 H new ATOM 0 HD2 HIS A 75 115.214 6.463 9.468 1.00 0.00 H new ATOM 0 HE1 HIS A 75 111.588 8.545 9.983 1.00 0.00 H new ATOM 1195 N THR A 76 117.198 9.092 6.931 1.00 0.00 N ATOM 1196 CA THR A 76 118.621 9.029 7.061 1.00 0.00 C ATOM 1197 C THR A 76 118.926 7.624 7.567 1.00 0.00 C ATOM 1198 O THR A 76 118.190 7.082 8.393 1.00 0.00 O ATOM 1199 CB THR A 76 119.041 10.062 8.129 1.00 0.00 C ATOM 1200 OG1 THR A 76 118.615 11.370 7.727 1.00 0.00 O ATOM 1201 CG2 THR A 76 120.543 10.070 8.373 1.00 0.00 C ATOM 0 H THR A 76 116.733 9.707 7.599 1.00 0.00 H new ATOM 0 HA THR A 76 119.144 9.238 6.128 1.00 0.00 H new ATOM 0 HB THR A 76 118.560 9.775 9.064 1.00 0.00 H new ATOM 0 HG1 THR A 76 118.881 12.024 8.407 1.00 0.00 H new ATOM 0 HG21 THR A 76 120.784 10.814 9.132 1.00 0.00 H new ATOM 0 HG22 THR A 76 120.861 9.085 8.715 1.00 0.00 H new ATOM 0 HG23 THR A 76 121.061 10.317 7.446 1.00 0.00 H new ATOM 1209 N HIS A 77 120.015 7.061 7.054 1.00 0.00 N ATOM 1210 CA HIS A 77 120.457 5.711 7.349 1.00 0.00 C ATOM 1211 C HIS A 77 120.598 5.475 8.815 1.00 0.00 C ATOM 1212 O HIS A 77 120.288 4.412 9.297 1.00 0.00 O ATOM 1213 CB HIS A 77 121.776 5.447 6.679 1.00 0.00 C ATOM 1214 CG HIS A 77 122.087 3.996 6.493 1.00 0.00 C ATOM 1215 ND1 HIS A 77 121.923 3.340 5.304 1.00 0.00 N ATOM 1216 CD2 HIS A 77 122.603 3.089 7.351 1.00 0.00 C ATOM 1217 CE1 HIS A 77 122.337 2.099 5.463 1.00 0.00 C ATOM 1218 NE2 HIS A 77 122.763 1.885 6.695 1.00 0.00 N ATOM 0 H HIS A 77 120.630 7.549 6.403 1.00 0.00 H new ATOM 0 HA HIS A 77 119.695 5.030 6.968 1.00 0.00 H new ATOM 0 HB2 HIS A 77 121.781 5.936 5.705 1.00 0.00 H new ATOM 0 HB3 HIS A 77 122.569 5.905 7.270 1.00 0.00 H new ATOM 0 HD1 HIS A 77 121.546 3.741 4.445 1.00 0.00 H new ATOM 0 HD2 HIS A 77 122.851 3.276 8.385 1.00 0.00 H new ATOM 0 HE1 HIS A 77 122.329 1.351 4.684 1.00 0.00 H new ATOM 1226 N ALA A 78 121.082 6.483 9.504 1.00 0.00 N ATOM 1227 CA ALA A 78 121.249 6.430 10.955 1.00 0.00 C ATOM 1228 C ALA A 78 119.905 6.250 11.626 1.00 0.00 C ATOM 1229 O ALA A 78 119.759 5.484 12.564 1.00 0.00 O ATOM 1230 CB ALA A 78 121.905 7.703 11.461 1.00 0.00 C ATOM 0 H ALA A 78 121.373 7.366 9.084 1.00 0.00 H new ATOM 0 HA ALA A 78 121.890 5.582 11.198 1.00 0.00 H new ATOM 0 HB1 ALA A 78 122.022 7.647 12.543 1.00 0.00 H new ATOM 0 HB2 ALA A 78 122.884 7.817 10.996 1.00 0.00 H new ATOM 0 HB3 ALA A 78 121.281 8.560 11.208 1.00 0.00 H new ATOM 1236 N GLN A 79 118.926 6.913 11.081 1.00 0.00 N ATOM 1237 CA GLN A 79 117.605 6.920 11.625 1.00 0.00 C ATOM 1238 C GLN A 79 116.883 5.616 11.310 1.00 0.00 C ATOM 1239 O GLN A 79 116.316 4.983 12.201 1.00 0.00 O ATOM 1240 CB GLN A 79 116.839 8.111 11.076 1.00 0.00 C ATOM 1241 CG GLN A 79 117.449 9.451 11.447 1.00 0.00 C ATOM 1242 CD GLN A 79 117.517 9.685 12.944 1.00 0.00 C ATOM 1243 OE1 GLN A 79 116.660 9.227 13.716 1.00 0.00 O ATOM 1244 NE2 GLN A 79 118.546 10.360 13.363 1.00 0.00 N ATOM 0 H GLN A 79 119.028 7.471 10.233 1.00 0.00 H new ATOM 0 HA GLN A 79 117.666 7.008 12.710 1.00 0.00 H new ATOM 0 HB2 GLN A 79 116.791 8.032 9.990 1.00 0.00 H new ATOM 0 HB3 GLN A 79 115.814 8.074 11.444 1.00 0.00 H new ATOM 0 HG2 GLN A 79 118.454 9.513 11.031 1.00 0.00 H new ATOM 0 HG3 GLN A 79 116.864 10.248 10.988 1.00 0.00 H new ATOM 0 HE21 GLN A 79 119.227 10.719 12.694 1.00 0.00 H new ATOM 0 HE22 GLN A 79 118.672 10.531 14.361 1.00 0.00 H new ATOM 1253 N VAL A 80 116.926 5.209 10.047 1.00 0.00 N ATOM 1254 CA VAL A 80 116.279 3.979 9.620 1.00 0.00 C ATOM 1255 C VAL A 80 116.871 2.752 10.316 1.00 0.00 C ATOM 1256 O VAL A 80 116.126 1.899 10.816 1.00 0.00 O ATOM 1257 CB VAL A 80 116.239 3.805 8.065 1.00 0.00 C ATOM 1258 CG1 VAL A 80 117.618 3.842 7.463 1.00 0.00 C ATOM 1259 CG2 VAL A 80 115.515 2.515 7.697 1.00 0.00 C ATOM 0 H VAL A 80 117.403 5.715 9.301 1.00 0.00 H new ATOM 0 HA VAL A 80 115.239 4.066 9.936 1.00 0.00 H new ATOM 0 HB VAL A 80 115.686 4.647 7.648 1.00 0.00 H new ATOM 0 HG11 VAL A 80 117.547 3.718 6.382 1.00 0.00 H new ATOM 0 HG12 VAL A 80 118.088 4.800 7.688 1.00 0.00 H new ATOM 0 HG13 VAL A 80 118.220 3.035 7.882 1.00 0.00 H new ATOM 0 HG21 VAL A 80 115.494 2.406 6.613 1.00 0.00 H new ATOM 0 HG22 VAL A 80 116.038 1.666 8.137 1.00 0.00 H new ATOM 0 HG23 VAL A 80 114.494 2.549 8.078 1.00 0.00 H new ATOM 1269 N VAL A 81 118.201 2.697 10.430 1.00 0.00 N ATOM 1270 CA VAL A 81 118.839 1.550 11.092 1.00 0.00 C ATOM 1271 C VAL A 81 118.464 1.516 12.560 1.00 0.00 C ATOM 1272 O VAL A 81 118.226 0.460 13.119 1.00 0.00 O ATOM 1273 CB VAL A 81 120.403 1.474 10.916 1.00 0.00 C ATOM 1274 CG1 VAL A 81 121.123 2.609 11.618 1.00 0.00 C ATOM 1275 CG2 VAL A 81 120.937 0.128 11.398 1.00 0.00 C ATOM 0 H VAL A 81 118.844 3.410 10.084 1.00 0.00 H new ATOM 0 HA VAL A 81 118.451 0.666 10.585 1.00 0.00 H new ATOM 0 HB VAL A 81 120.604 1.576 9.850 1.00 0.00 H new ATOM 0 HG11 VAL A 81 122.197 2.508 11.465 1.00 0.00 H new ATOM 0 HG12 VAL A 81 120.786 3.562 11.209 1.00 0.00 H new ATOM 0 HG13 VAL A 81 120.904 2.574 12.685 1.00 0.00 H new ATOM 0 HG21 VAL A 81 122.019 0.098 11.267 1.00 0.00 H new ATOM 0 HG22 VAL A 81 120.695 -0.003 12.453 1.00 0.00 H new ATOM 0 HG23 VAL A 81 120.479 -0.674 10.819 1.00 0.00 H new ATOM 1285 N LYS A 82 118.352 2.681 13.146 1.00 0.00 N ATOM 1286 CA LYS A 82 117.996 2.824 14.523 1.00 0.00 C ATOM 1287 C LYS A 82 116.607 2.231 14.807 1.00 0.00 C ATOM 1288 O LYS A 82 116.436 1.497 15.775 1.00 0.00 O ATOM 1289 CB LYS A 82 118.119 4.310 14.900 1.00 0.00 C ATOM 1290 CG LYS A 82 117.695 4.708 16.308 1.00 0.00 C ATOM 1291 CD LYS A 82 116.270 5.256 16.364 1.00 0.00 C ATOM 1292 CE LYS A 82 116.128 6.536 15.535 1.00 0.00 C ATOM 1293 NZ LYS A 82 114.824 7.188 15.740 1.00 0.00 N ATOM 0 H LYS A 82 118.509 3.567 12.666 1.00 0.00 H new ATOM 0 HA LYS A 82 118.677 2.255 15.155 1.00 0.00 H new ATOM 0 HB2 LYS A 82 119.158 4.608 14.763 1.00 0.00 H new ATOM 0 HB3 LYS A 82 117.525 4.888 14.192 1.00 0.00 H new ATOM 0 HG2 LYS A 82 117.772 3.841 16.965 1.00 0.00 H new ATOM 0 HG3 LYS A 82 118.384 5.461 16.691 1.00 0.00 H new ATOM 0 HD2 LYS A 82 115.575 4.503 15.994 1.00 0.00 H new ATOM 0 HD3 LYS A 82 115.998 5.460 17.400 1.00 0.00 H new ATOM 0 HE2 LYS A 82 116.925 7.230 15.801 1.00 0.00 H new ATOM 0 HE3 LYS A 82 116.252 6.298 14.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 114.772 8.050 15.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 114.063 6.537 15.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 114.715 7.439 16.743 1.00 0.00 H new ATOM 1307 N ILE A 83 115.653 2.471 13.922 1.00 0.00 N ATOM 1308 CA ILE A 83 114.294 1.989 14.130 1.00 0.00 C ATOM 1309 C ILE A 83 114.266 0.487 13.923 1.00 0.00 C ATOM 1310 O ILE A 83 113.842 -0.298 14.791 1.00 0.00 O ATOM 1311 CB ILE A 83 113.303 2.651 13.138 1.00 0.00 C ATOM 1312 CG1 ILE A 83 113.334 4.173 13.288 1.00 0.00 C ATOM 1313 CG2 ILE A 83 111.882 2.119 13.357 1.00 0.00 C ATOM 1314 CD1 ILE A 83 112.451 4.897 12.301 1.00 0.00 C ATOM 0 H ILE A 83 115.791 2.993 13.057 1.00 0.00 H new ATOM 0 HA ILE A 83 113.990 2.246 15.145 1.00 0.00 H new ATOM 0 HB ILE A 83 113.611 2.396 12.124 1.00 0.00 H new ATOM 0 HG12 ILE A 83 113.025 4.436 14.300 1.00 0.00 H new ATOM 0 HG13 ILE A 83 114.360 4.521 13.167 1.00 0.00 H new ATOM 0 HG21 ILE A 83 111.202 2.596 12.651 1.00 0.00 H new ATOM 0 HG22 ILE A 83 111.869 1.040 13.201 1.00 0.00 H new ATOM 0 HG23 ILE A 83 111.563 2.342 14.375 1.00 0.00 H new ATOM 0 HD11 ILE A 83 112.524 5.972 12.467 1.00 0.00 H new ATOM 0 HD12 ILE A 83 112.773 4.664 11.286 1.00 0.00 H new ATOM 0 HD13 ILE A 83 111.417 4.579 12.436 1.00 0.00 H new ATOM 1326 N PHE A 84 114.812 0.110 12.808 1.00 0.00 N ATOM 1327 CA PHE A 84 114.831 -1.241 12.336 1.00 0.00 C ATOM 1328 C PHE A 84 115.618 -2.201 13.242 1.00 0.00 C ATOM 1329 O PHE A 84 115.268 -3.367 13.364 1.00 0.00 O ATOM 1330 CB PHE A 84 115.343 -1.244 10.904 1.00 0.00 C ATOM 1331 CG PHE A 84 114.291 -0.908 9.858 1.00 0.00 C ATOM 1332 CD1 PHE A 84 113.531 0.246 9.950 1.00 0.00 C ATOM 1333 CD2 PHE A 84 114.067 -1.755 8.786 1.00 0.00 C ATOM 1334 CE1 PHE A 84 112.574 0.544 9.004 1.00 0.00 C ATOM 1335 CE2 PHE A 84 113.112 -1.462 7.836 1.00 0.00 C ATOM 1336 CZ PHE A 84 112.365 -0.313 7.945 1.00 0.00 C ATOM 0 H PHE A 84 115.276 0.762 12.176 1.00 0.00 H new ATOM 0 HA PHE A 84 113.812 -1.628 12.363 1.00 0.00 H new ATOM 0 HB2 PHE A 84 116.160 -0.528 10.822 1.00 0.00 H new ATOM 0 HB3 PHE A 84 115.757 -2.227 10.682 1.00 0.00 H new ATOM 0 HD1 PHE A 84 113.691 0.923 10.776 1.00 0.00 H new ATOM 0 HD2 PHE A 84 114.650 -2.660 8.693 1.00 0.00 H new ATOM 0 HE1 PHE A 84 111.989 1.447 9.092 1.00 0.00 H new ATOM 0 HE2 PHE A 84 112.951 -2.135 7.007 1.00 0.00 H new ATOM 0 HZ PHE A 84 111.616 -0.082 7.202 1.00 0.00 H new ATOM 1346 N GLN A 85 116.672 -1.716 13.865 1.00 0.00 N ATOM 1347 CA GLN A 85 117.451 -2.536 14.783 1.00 0.00 C ATOM 1348 C GLN A 85 116.884 -2.537 16.200 1.00 0.00 C ATOM 1349 O GLN A 85 117.130 -3.472 16.973 1.00 0.00 O ATOM 1350 CB GLN A 85 118.931 -2.149 14.765 1.00 0.00 C ATOM 1351 CG GLN A 85 119.653 -2.563 13.494 1.00 0.00 C ATOM 1352 CD GLN A 85 119.685 -4.067 13.310 1.00 0.00 C ATOM 1353 OE1 GLN A 85 118.701 -4.602 12.641 1.00 0.00 O flip ATOM 1354 NE2 GLN A 85 120.609 -4.740 13.768 1.00 0.00 N flip ATOM 0 H GLN A 85 117.012 -0.761 13.756 1.00 0.00 H new ATOM 0 HA GLN A 85 117.374 -3.562 14.423 1.00 0.00 H new ATOM 0 HB2 GLN A 85 119.017 -1.069 14.886 1.00 0.00 H new ATOM 0 HB3 GLN A 85 119.428 -2.606 15.621 1.00 0.00 H new ATOM 0 HG2 GLN A 85 119.162 -2.105 12.635 1.00 0.00 H new ATOM 0 HG3 GLN A 85 120.674 -2.181 13.519 1.00 0.00 H new ATOM 0 HE21 GLN A 85 121.362 -4.287 14.286 1.00 0.00 H new ATOM 0 HE22 GLN A 85 120.622 -5.750 13.629 1.00 0.00 H new ATOM 1363 N SER A 86 116.117 -1.518 16.549 1.00 0.00 N ATOM 1364 CA SER A 86 115.504 -1.477 17.871 1.00 0.00 C ATOM 1365 C SER A 86 114.213 -2.292 17.885 1.00 0.00 C ATOM 1366 O SER A 86 113.640 -2.545 18.945 1.00 0.00 O ATOM 1367 CB SER A 86 115.256 -0.040 18.308 1.00 0.00 C ATOM 1368 OG SER A 86 116.473 0.701 18.279 1.00 0.00 O ATOM 0 H SER A 86 115.905 -0.720 15.950 1.00 0.00 H new ATOM 0 HA SER A 86 116.193 -1.925 18.587 1.00 0.00 H new ATOM 0 HB2 SER A 86 114.522 0.426 17.650 1.00 0.00 H new ATOM 0 HB3 SER A 86 114.837 -0.025 19.314 1.00 0.00 H new ATOM 0 HG SER A 86 116.707 0.910 17.351 1.00 0.00 H new ATOM 1374 N ILE A 87 113.772 -2.680 16.691 1.00 0.00 N ATOM 1375 CA ILE A 87 112.619 -3.523 16.483 1.00 0.00 C ATOM 1376 C ILE A 87 112.581 -4.779 17.409 1.00 0.00 C ATOM 1377 O ILE A 87 113.611 -5.450 17.629 1.00 0.00 O ATOM 1378 CB ILE A 87 112.509 -3.924 14.978 1.00 0.00 C ATOM 1379 CG1 ILE A 87 111.760 -2.860 14.172 1.00 0.00 C ATOM 1380 CG2 ILE A 87 111.933 -5.280 14.750 1.00 0.00 C ATOM 1381 CD1 ILE A 87 111.232 -3.377 12.846 1.00 0.00 C ATOM 0 H ILE A 87 114.227 -2.403 15.821 1.00 0.00 H new ATOM 0 HA ILE A 87 111.747 -2.932 16.764 1.00 0.00 H new ATOM 0 HB ILE A 87 113.536 -3.978 14.616 1.00 0.00 H new ATOM 0 HG12 ILE A 87 110.927 -2.483 14.766 1.00 0.00 H new ATOM 0 HG13 ILE A 87 112.426 -2.017 13.987 1.00 0.00 H new ATOM 0 HG21 ILE A 87 111.891 -5.482 13.680 1.00 0.00 H new ATOM 0 HG22 ILE A 87 112.560 -6.028 15.236 1.00 0.00 H new ATOM 0 HG23 ILE A 87 110.927 -5.323 15.167 1.00 0.00 H new ATOM 0 HD11 ILE A 87 110.711 -2.574 12.324 1.00 0.00 H new ATOM 0 HD12 ILE A 87 112.064 -3.728 12.235 1.00 0.00 H new ATOM 0 HD13 ILE A 87 110.541 -4.201 13.026 1.00 0.00 H new ATOM 1393 N PRO A 88 111.390 -5.086 17.974 1.00 0.00 N ATOM 1394 CA PRO A 88 111.181 -6.228 18.855 1.00 0.00 C ATOM 1395 C PRO A 88 110.600 -7.441 18.103 1.00 0.00 C ATOM 1396 O PRO A 88 109.917 -7.308 17.092 1.00 0.00 O ATOM 1397 CB PRO A 88 110.145 -5.674 19.839 1.00 0.00 C ATOM 1398 CG PRO A 88 109.353 -4.645 19.064 1.00 0.00 C ATOM 1399 CD PRO A 88 110.125 -4.343 17.792 1.00 0.00 C ATOM 0 HA PRO A 88 112.102 -6.590 19.311 1.00 0.00 H new ATOM 0 HB2 PRO A 88 109.497 -6.467 20.213 1.00 0.00 H new ATOM 0 HB3 PRO A 88 110.630 -5.224 20.705 1.00 0.00 H new ATOM 0 HG2 PRO A 88 108.358 -5.024 18.829 1.00 0.00 H new ATOM 0 HG3 PRO A 88 109.218 -3.739 19.655 1.00 0.00 H new ATOM 0 HD2 PRO A 88 109.586 -4.678 16.906 1.00 0.00 H new ATOM 0 HD3 PRO A 88 110.301 -3.274 17.673 1.00 0.00 H new ATOM 1407 N ILE A 89 110.920 -8.614 18.587 1.00 0.00 N ATOM 1408 CA ILE A 89 110.441 -9.869 18.026 1.00 0.00 C ATOM 1409 C ILE A 89 108.924 -9.994 18.265 1.00 0.00 C ATOM 1410 O ILE A 89 108.429 -9.615 19.338 1.00 0.00 O ATOM 1411 CB ILE A 89 111.103 -11.076 18.743 1.00 0.00 C ATOM 1412 CG1 ILE A 89 112.602 -10.864 18.921 1.00 0.00 C ATOM 1413 CG2 ILE A 89 110.843 -12.366 17.973 1.00 0.00 C ATOM 1414 CD1 ILE A 89 113.271 -11.921 19.747 1.00 0.00 C ATOM 0 H ILE A 89 111.530 -8.735 19.395 1.00 0.00 H new ATOM 0 HA ILE A 89 110.684 -9.873 16.963 1.00 0.00 H new ATOM 0 HB ILE A 89 110.653 -11.158 19.733 1.00 0.00 H new ATOM 0 HG12 ILE A 89 113.074 -10.832 17.939 1.00 0.00 H new ATOM 0 HG13 ILE A 89 112.769 -9.893 19.387 1.00 0.00 H new ATOM 0 HG21 ILE A 89 111.315 -13.201 18.491 1.00 0.00 H new ATOM 0 HG22 ILE A 89 109.769 -12.540 17.907 1.00 0.00 H new ATOM 0 HG23 ILE A 89 111.259 -12.281 16.969 1.00 0.00 H new ATOM 0 HD11 ILE A 89 114.335 -11.700 19.828 1.00 0.00 H new ATOM 0 HD12 ILE A 89 112.828 -11.940 20.743 1.00 0.00 H new ATOM 0 HD13 ILE A 89 113.137 -12.893 19.272 1.00 0.00 H new ATOM 1426 N GLY A 90 108.210 -10.534 17.294 1.00 0.00 N ATOM 1427 CA GLY A 90 106.794 -10.764 17.450 1.00 0.00 C ATOM 1428 C GLY A 90 105.986 -9.595 17.020 1.00 0.00 C ATOM 1429 O GLY A 90 104.780 -9.542 17.253 1.00 0.00 O ATOM 0 H GLY A 90 108.591 -10.820 16.392 1.00 0.00 H new ATOM 0 HA2 GLY A 90 106.503 -11.639 16.868 1.00 0.00 H new ATOM 0 HA3 GLY A 90 106.577 -10.989 18.494 1.00 0.00 H new ATOM 1433 N ALA A 91 106.623 -8.670 16.372 1.00 0.00 N ATOM 1434 CA ALA A 91 105.959 -7.400 16.080 1.00 0.00 C ATOM 1435 C ALA A 91 105.550 -7.297 14.601 1.00 0.00 C ATOM 1436 O ALA A 91 105.625 -8.275 13.870 1.00 0.00 O ATOM 1437 CB ALA A 91 106.802 -6.225 16.573 1.00 0.00 C ATOM 0 H ALA A 91 107.582 -8.749 16.034 1.00 0.00 H new ATOM 0 HA ALA A 91 105.022 -7.359 16.636 1.00 0.00 H new ATOM 0 HB1 ALA A 91 106.290 -5.290 16.346 1.00 0.00 H new ATOM 0 HB2 ALA A 91 106.946 -6.308 17.650 1.00 0.00 H new ATOM 0 HB3 ALA A 91 107.771 -6.238 16.075 1.00 0.00 H new ATOM 1443 N SER A 92 105.126 -6.137 14.160 1.00 0.00 N ATOM 1444 CA SER A 92 104.538 -5.995 12.831 1.00 0.00 C ATOM 1445 C SER A 92 104.770 -4.627 12.213 1.00 0.00 C ATOM 1446 O SER A 92 104.821 -3.641 12.911 1.00 0.00 O ATOM 1447 CB SER A 92 103.057 -6.309 12.924 1.00 0.00 C ATOM 1448 OG SER A 92 102.363 -5.988 11.738 1.00 0.00 O ATOM 0 H SER A 92 105.173 -5.271 14.696 1.00 0.00 H new ATOM 0 HA SER A 92 105.035 -6.699 12.164 1.00 0.00 H new ATOM 0 HB2 SER A 92 102.926 -7.369 13.143 1.00 0.00 H new ATOM 0 HB3 SER A 92 102.623 -5.756 13.757 1.00 0.00 H new ATOM 0 HG SER A 92 101.400 -6.103 11.881 1.00 0.00 H new ATOM 1454 N VAL A 93 104.926 -4.601 10.891 1.00 0.00 N ATOM 1455 CA VAL A 93 105.000 -3.362 10.109 1.00 0.00 C ATOM 1456 C VAL A 93 104.476 -3.600 8.745 1.00 0.00 C ATOM 1457 O VAL A 93 104.532 -4.723 8.241 1.00 0.00 O ATOM 1458 CB VAL A 93 106.407 -2.761 9.936 1.00 0.00 C ATOM 1459 CG1 VAL A 93 107.006 -2.207 11.205 1.00 0.00 C ATOM 1460 CG2 VAL A 93 107.343 -3.686 9.187 1.00 0.00 C ATOM 0 H VAL A 93 105.006 -5.445 10.324 1.00 0.00 H new ATOM 0 HA VAL A 93 104.411 -2.651 10.688 1.00 0.00 H new ATOM 0 HB VAL A 93 106.267 -1.885 9.302 1.00 0.00 H new ATOM 0 HG11 VAL A 93 107.996 -1.804 10.994 1.00 0.00 H new ATOM 0 HG12 VAL A 93 106.367 -1.414 11.593 1.00 0.00 H new ATOM 0 HG13 VAL A 93 107.088 -3.002 11.946 1.00 0.00 H new ATOM 0 HG21 VAL A 93 108.321 -3.215 9.092 1.00 0.00 H new ATOM 0 HG22 VAL A 93 107.443 -4.623 9.734 1.00 0.00 H new ATOM 0 HG23 VAL A 93 106.939 -3.887 8.195 1.00 0.00 H new ATOM 1470 N ASP A 94 104.003 -2.556 8.160 1.00 0.00 N ATOM 1471 CA ASP A 94 103.516 -2.556 6.808 1.00 0.00 C ATOM 1472 C ASP A 94 104.590 -1.973 5.946 1.00 0.00 C ATOM 1473 O ASP A 94 104.924 -0.813 6.095 1.00 0.00 O ATOM 1474 CB ASP A 94 102.290 -1.663 6.719 1.00 0.00 C ATOM 1475 CG ASP A 94 101.660 -1.607 5.335 1.00 0.00 C ATOM 1476 OD1 ASP A 94 100.797 -2.473 5.033 1.00 0.00 O ATOM 1477 OD2 ASP A 94 101.963 -0.657 4.563 1.00 0.00 O ATOM 0 H ASP A 94 103.938 -1.646 8.616 1.00 0.00 H new ATOM 0 HA ASP A 94 103.257 -3.567 6.492 1.00 0.00 H new ATOM 0 HB2 ASP A 94 101.544 -2.016 7.432 1.00 0.00 H new ATOM 0 HB3 ASP A 94 102.567 -0.653 7.021 1.00 0.00 H new ATOM 1482 N LEU A 95 105.164 -2.749 5.108 1.00 0.00 N ATOM 1483 CA LEU A 95 106.172 -2.223 4.219 1.00 0.00 C ATOM 1484 C LEU A 95 105.527 -1.775 2.973 1.00 0.00 C ATOM 1485 O LEU A 95 104.977 -2.571 2.215 1.00 0.00 O ATOM 1486 CB LEU A 95 107.302 -3.214 3.851 1.00 0.00 C ATOM 1487 CG LEU A 95 108.249 -3.674 4.953 1.00 0.00 C ATOM 1488 CD1 LEU A 95 108.838 -2.506 5.723 1.00 0.00 C ATOM 1489 CD2 LEU A 95 107.576 -4.642 5.861 1.00 0.00 C ATOM 0 H LEU A 95 104.968 -3.745 5.005 1.00 0.00 H new ATOM 0 HA LEU A 95 106.645 -1.406 4.764 1.00 0.00 H new ATOM 0 HB2 LEU A 95 106.838 -4.101 3.420 1.00 0.00 H new ATOM 0 HB3 LEU A 95 107.904 -2.755 3.066 1.00 0.00 H new ATOM 0 HG LEU A 95 109.083 -4.186 4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 95 109.506 -2.881 6.498 1.00 0.00 H new ATOM 0 HD12 LEU A 95 109.397 -1.865 5.041 1.00 0.00 H new ATOM 0 HD13 LEU A 95 108.034 -1.932 6.184 1.00 0.00 H new ATOM 0 HD21 LEU A 95 108.272 -4.956 6.639 1.00 0.00 H new ATOM 0 HD22 LEU A 95 106.709 -4.168 6.320 1.00 0.00 H new ATOM 0 HD23 LEU A 95 107.254 -5.513 5.290 1.00 0.00 H new ATOM 1501 N GLU A 96 105.578 -0.521 2.781 1.00 0.00 N ATOM 1502 CA GLU A 96 105.087 0.096 1.624 1.00 0.00 C ATOM 1503 C GLU A 96 106.281 0.229 0.722 1.00 0.00 C ATOM 1504 O GLU A 96 107.222 0.978 1.022 1.00 0.00 O ATOM 1505 CB GLU A 96 104.498 1.428 2.021 1.00 0.00 C ATOM 1506 CG GLU A 96 103.875 2.211 0.913 1.00 0.00 C ATOM 1507 CD GLU A 96 103.108 3.361 1.459 1.00 0.00 C ATOM 1508 OE1 GLU A 96 103.713 4.377 1.816 1.00 0.00 O ATOM 1509 OE2 GLU A 96 101.879 3.246 1.604 1.00 0.00 O ATOM 0 H GLU A 96 105.980 0.131 3.454 1.00 0.00 H new ATOM 0 HA GLU A 96 104.299 -0.457 1.114 1.00 0.00 H new ATOM 0 HB2 GLU A 96 103.745 1.258 2.790 1.00 0.00 H new ATOM 0 HB3 GLU A 96 105.284 2.033 2.473 1.00 0.00 H new ATOM 0 HG2 GLU A 96 104.648 2.571 0.234 1.00 0.00 H new ATOM 0 HG3 GLU A 96 103.214 1.568 0.332 1.00 0.00 H new ATOM 1516 N LEU A 97 106.297 -0.540 -0.319 1.00 0.00 N ATOM 1517 CA LEU A 97 107.467 -0.659 -1.127 1.00 0.00 C ATOM 1518 C LEU A 97 107.140 -0.748 -2.608 1.00 0.00 C ATOM 1519 O LEU A 97 106.002 -1.046 -3.006 1.00 0.00 O ATOM 1520 CB LEU A 97 108.365 -1.838 -0.613 1.00 0.00 C ATOM 1521 CG LEU A 97 107.907 -3.328 -0.761 1.00 0.00 C ATOM 1522 CD1 LEU A 97 108.731 -4.188 0.163 1.00 0.00 C ATOM 1523 CD2 LEU A 97 106.447 -3.558 -0.452 1.00 0.00 C ATOM 0 H LEU A 97 105.504 -1.100 -0.632 1.00 0.00 H new ATOM 0 HA LEU A 97 108.050 0.256 -1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 97 109.327 -1.749 -1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 97 108.544 -1.663 0.448 1.00 0.00 H new ATOM 0 HG LEU A 97 108.054 -3.591 -1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 97 108.419 -5.228 0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 97 109.785 -4.099 -0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 97 108.586 -3.859 1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 97 106.210 -4.615 -0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 97 106.241 -3.260 0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 97 105.834 -2.965 -1.131 1.00 0.00 H new ATOM 1535 N CYS A 98 108.115 -0.440 -3.397 1.00 0.00 N ATOM 1536 CA CYS A 98 107.996 -0.421 -4.825 1.00 0.00 C ATOM 1537 C CYS A 98 108.790 -1.558 -5.429 1.00 0.00 C ATOM 1538 O CYS A 98 109.982 -1.676 -5.196 1.00 0.00 O ATOM 1539 CB CYS A 98 108.497 0.934 -5.347 1.00 0.00 C ATOM 1540 SG CYS A 98 108.806 1.030 -7.127 1.00 0.00 S ATOM 0 H CYS A 98 109.044 -0.187 -3.061 1.00 0.00 H new ATOM 0 HA CYS A 98 106.953 -0.552 -5.112 1.00 0.00 H new ATOM 0 HB2 CYS A 98 107.764 1.697 -5.083 1.00 0.00 H new ATOM 0 HB3 CYS A 98 109.420 1.184 -4.824 1.00 0.00 H new ATOM 0 HG CYS A 98 107.689 0.866 -7.771 1.00 0.00 H new ATOM 1546 N ARG A 99 108.133 -2.387 -6.181 1.00 0.00 N ATOM 1547 CA ARG A 99 108.792 -3.480 -6.854 1.00 0.00 C ATOM 1548 C ARG A 99 108.913 -3.084 -8.317 1.00 0.00 C ATOM 1549 O ARG A 99 108.044 -2.380 -8.832 1.00 0.00 O ATOM 1550 CB ARG A 99 107.952 -4.757 -6.719 1.00 0.00 C ATOM 1551 CG ARG A 99 108.519 -5.993 -7.390 1.00 0.00 C ATOM 1552 CD ARG A 99 109.595 -6.632 -6.559 1.00 0.00 C ATOM 1553 NE ARG A 99 109.054 -7.140 -5.314 1.00 0.00 N ATOM 1554 CZ ARG A 99 108.698 -8.378 -5.038 1.00 0.00 C ATOM 1555 NH1 ARG A 99 108.786 -9.329 -5.956 1.00 0.00 N ATOM 1556 NH2 ARG A 99 108.261 -8.658 -3.829 1.00 0.00 N ATOM 0 H ARG A 99 107.129 -2.331 -6.349 1.00 0.00 H new ATOM 0 HA ARG A 99 109.773 -3.677 -6.421 1.00 0.00 H new ATOM 0 HB2 ARG A 99 107.818 -4.971 -5.659 1.00 0.00 H new ATOM 0 HB3 ARG A 99 106.962 -4.564 -7.132 1.00 0.00 H new ATOM 0 HG2 ARG A 99 107.719 -6.712 -7.564 1.00 0.00 H new ATOM 0 HG3 ARG A 99 108.924 -5.724 -8.366 1.00 0.00 H new ATOM 0 HD2 ARG A 99 110.057 -7.446 -7.118 1.00 0.00 H new ATOM 0 HD3 ARG A 99 110.379 -5.904 -6.349 1.00 0.00 H new ATOM 0 HE ARG A 99 108.935 -6.459 -4.564 1.00 0.00 H new ATOM 0 HH11 ARG A 99 109.133 -9.107 -6.889 1.00 0.00 H new ATOM 0 HH12 ARG A 99 108.507 -10.284 -5.730 1.00 0.00 H new ATOM 0 HH21 ARG A 99 108.203 -7.922 -3.125 1.00 0.00 H new ATOM 0 HH22 ARG A 99 107.981 -9.611 -3.596 1.00 0.00 H new ATOM 1570 N GLY A 100 109.959 -3.509 -8.976 1.00 0.00 N ATOM 1571 CA GLY A 100 110.134 -3.155 -10.365 1.00 0.00 C ATOM 1572 C GLY A 100 111.547 -2.731 -10.667 1.00 0.00 C ATOM 1573 O GLY A 100 111.937 -2.612 -11.837 1.00 0.00 O ATOM 0 H GLY A 100 110.696 -4.094 -8.582 1.00 0.00 H new ATOM 0 HA2 GLY A 100 109.870 -4.007 -10.992 1.00 0.00 H new ATOM 0 HA3 GLY A 100 109.450 -2.346 -10.622 1.00 0.00 H new ATOM 1577 N TYR A 101 112.303 -2.473 -9.634 1.00 0.00 N ATOM 1578 CA TYR A 101 113.696 -2.115 -9.773 1.00 0.00 C ATOM 1579 C TYR A 101 114.586 -3.340 -9.635 1.00 0.00 C ATOM 1580 O TYR A 101 114.613 -3.977 -8.583 1.00 0.00 O ATOM 1581 CB TYR A 101 114.099 -1.042 -8.760 1.00 0.00 C ATOM 1582 CG TYR A 101 113.560 0.328 -9.092 1.00 0.00 C ATOM 1583 CD1 TYR A 101 114.275 1.174 -9.921 1.00 0.00 C ATOM 1584 CD2 TYR A 101 112.347 0.774 -8.589 1.00 0.00 C ATOM 1585 CE1 TYR A 101 113.804 2.422 -10.243 1.00 0.00 C ATOM 1586 CE2 TYR A 101 111.867 2.029 -8.907 1.00 0.00 C ATOM 1587 CZ TYR A 101 112.602 2.848 -9.737 1.00 0.00 C ATOM 1588 OH TYR A 101 112.127 4.102 -10.071 1.00 0.00 O ATOM 0 H TYR A 101 111.973 -2.504 -8.669 1.00 0.00 H new ATOM 0 HA TYR A 101 113.832 -1.701 -10.772 1.00 0.00 H new ATOM 0 HB2 TYR A 101 113.744 -1.334 -7.772 1.00 0.00 H new ATOM 0 HB3 TYR A 101 115.187 -0.993 -8.707 1.00 0.00 H new ATOM 0 HD1 TYR A 101 115.222 0.846 -10.323 1.00 0.00 H new ATOM 0 HD2 TYR A 101 111.770 0.131 -7.940 1.00 0.00 H new ATOM 0 HE1 TYR A 101 114.378 3.067 -10.893 1.00 0.00 H new ATOM 0 HE2 TYR A 101 110.922 2.367 -8.508 1.00 0.00 H new ATOM 0 HH TYR A 101 111.264 4.252 -9.632 1.00 0.00 H new ATOM 2091 N GLU B 158 124.140 0.148 3.606 1.00 0.00 N ATOM 2092 CA GLU B 158 123.881 -1.249 3.957 1.00 0.00 C ATOM 2093 C GLU B 158 123.281 -1.384 5.360 1.00 0.00 C ATOM 2094 O GLU B 158 124.013 -1.519 6.348 1.00 0.00 O ATOM 2095 CB GLU B 158 125.149 -2.117 3.839 1.00 0.00 C ATOM 2096 CG GLU B 158 125.795 -2.117 2.458 1.00 0.00 C ATOM 2097 CD GLU B 158 126.995 -3.015 2.381 1.00 0.00 C ATOM 2098 OE1 GLU B 158 127.923 -2.846 3.173 1.00 0.00 O ATOM 2099 OE2 GLU B 158 127.010 -3.940 1.540 1.00 0.00 O ATOM 0 HA GLU B 158 123.150 -1.614 3.236 1.00 0.00 H new ATOM 0 HB2 GLU B 158 125.881 -1.768 4.567 1.00 0.00 H new ATOM 0 HB3 GLU B 158 124.897 -3.143 4.107 1.00 0.00 H new ATOM 0 HG2 GLU B 158 125.061 -2.434 1.718 1.00 0.00 H new ATOM 0 HG3 GLU B 158 126.090 -1.100 2.199 1.00 0.00 H new ATOM 2106 N THR B 159 121.970 -1.329 5.452 1.00 0.00 N ATOM 2107 CA THR B 159 121.296 -1.558 6.714 1.00 0.00 C ATOM 2108 C THR B 159 121.034 -3.058 6.765 1.00 0.00 C ATOM 2109 O THR B 159 120.504 -3.636 5.804 1.00 0.00 O ATOM 2110 CB THR B 159 119.925 -0.800 6.796 1.00 0.00 C ATOM 2111 OG1 THR B 159 120.065 0.515 6.292 1.00 0.00 O ATOM 2112 CG2 THR B 159 119.424 -0.695 8.238 1.00 0.00 C ATOM 0 H THR B 159 121.349 -1.128 4.669 1.00 0.00 H new ATOM 0 HA THR B 159 121.907 -1.197 7.541 1.00 0.00 H new ATOM 0 HB THR B 159 119.209 -1.371 6.204 1.00 0.00 H new ATOM 0 HG1 THR B 159 119.204 0.980 6.346 1.00 0.00 H new ATOM 0 HG21 THR B 159 118.472 -0.164 8.255 1.00 0.00 H new ATOM 0 HG22 THR B 159 119.289 -1.695 8.650 1.00 0.00 H new ATOM 0 HG23 THR B 159 120.154 -0.151 8.838 1.00 0.00 H new ATOM 2120 N GLN B 160 121.459 -3.699 7.797 1.00 0.00 N ATOM 2121 CA GLN B 160 121.240 -5.112 7.910 1.00 0.00 C ATOM 2122 C GLN B 160 120.236 -5.349 8.980 1.00 0.00 C ATOM 2123 O GLN B 160 120.467 -5.010 10.147 1.00 0.00 O ATOM 2124 CB GLN B 160 122.540 -5.849 8.170 1.00 0.00 C ATOM 2125 CG GLN B 160 123.570 -5.619 7.080 1.00 0.00 C ATOM 2126 CD GLN B 160 124.888 -6.320 7.310 1.00 0.00 C ATOM 2127 OE1 GLN B 160 124.869 -7.470 7.944 1.00 0.00 O flip ATOM 2128 NE2 GLN B 160 125.929 -5.833 6.876 1.00 0.00 N flip ATOM 0 H GLN B 160 121.960 -3.275 8.578 1.00 0.00 H new ATOM 0 HA GLN B 160 120.853 -5.505 6.970 1.00 0.00 H new ATOM 0 HB2 GLN B 160 122.951 -5.527 9.127 1.00 0.00 H new ATOM 0 HB3 GLN B 160 122.337 -6.917 8.254 1.00 0.00 H new ATOM 0 HG2 GLN B 160 123.156 -5.953 6.129 1.00 0.00 H new ATOM 0 HG3 GLN B 160 123.753 -4.548 6.989 1.00 0.00 H new ATOM 0 HE21 GLN B 160 125.908 -4.938 6.388 1.00 0.00 H new ATOM 0 HE22 GLN B 160 126.814 -6.324 7.004 1.00 0.00 H new ATOM 2137 N VAL B 161 119.104 -5.872 8.592 1.00 0.00 N ATOM 2138 CA VAL B 161 118.008 -6.021 9.492 1.00 0.00 C ATOM 2139 C VAL B 161 117.502 -7.437 9.472 1.00 0.00 C ATOM 2140 O VAL B 161 116.857 -7.873 10.452 1.00 0.00 O ATOM 2141 CB VAL B 161 116.851 -5.025 9.182 1.00 0.00 C ATOM 2142 CG1 VAL B 161 117.329 -3.615 9.271 1.00 0.00 C ATOM 2143 CG2 VAL B 161 116.264 -5.240 7.812 1.00 0.00 C ATOM 2144 OXT VAL B 161 117.775 -8.143 8.490 1.00 0.00 O ATOM 0 H VAL B 161 118.922 -6.204 7.645 1.00 0.00 H new ATOM 0 HA VAL B 161 118.376 -5.787 10.491 1.00 0.00 H new ATOM 0 HB VAL B 161 116.079 -5.212 9.928 1.00 0.00 H new ATOM 0 HG11 VAL B 161 116.505 -2.937 9.051 1.00 0.00 H new ATOM 0 HG12 VAL B 161 117.701 -3.420 10.277 1.00 0.00 H new ATOM 0 HG13 VAL B 161 118.131 -3.457 8.550 1.00 0.00 H new ATOM 0 HG21 VAL B 161 115.462 -4.522 7.643 1.00 0.00 H new ATOM 0 HG22 VAL B 161 117.039 -5.102 7.058 1.00 0.00 H new ATOM 0 HG23 VAL B 161 115.866 -6.252 7.742 1.00 0.00 H new