USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=24 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 HD1:sc= 0.91 K(o=2,f=-4.7!) USER MOD Set 1.2: B 159 THR OG1 : rot -88:sc= 1.13 USER MOD Set 2.1: A 79 GLN : amide:sc= 0.268 K(o=0.63,f=-2.9) USER MOD Set 2.2: A 82 LYS NZ :NH3+ 172:sc= 0.358 (180deg=-0.0765) USER MOD Set 3.1: A 19 LYS NZ :NH3+ 152:sc= -0.225 (180deg=-0.934) USER MOD Set 3.2: A 92 SER OG : rot -179:sc= -1.81! USER MOD Single : A 5 THR OG1 : rot -48:sc= 0.467 USER MOD Single : A 7 ASN :FLIP amide:sc= 0 F(o=-1.3!,f=0) 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= -4.75! C(o=-4.7!,f=-8.4!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 176:sc= -0.154 (180deg=-0.183) USER MOD Single : A 23 SER OG : rot 180:sc= 0.404 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -1.9! USER MOD Single : A 42 GLN : amide:sc= -0.0602 X(o=-0.06,f=-0.21) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -7:sc= 0.546 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 141:sc= -0.569 (180deg=-2.8!) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0887 USER MOD Single : A 66 SER OG : rot 180:sc= -0.358 USER MOD Single : A 68 ASN :FLIP amide:sc= -0.295 F(o=-1.2,f=-0.3) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 CYS SG : rot 180:sc= -0.371 USER MOD Single : A 75 HIS : no HD1:sc= -0.845 K(o=-0.85,f=-1.4) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN :FLIP amide:sc= -0.494 F(o=-2.6!,f=-0.49) USER MOD Single : A 86 SER OG : rot 87:sc= 1.25 USER MOD Single : A 98 CYS SG : rot -94:sc= 0.319 USER MOD Single : A 101 TYR OH : rot 180:sc= -0.145 USER MOD Single : B 160 GLN : amide:sc= -0.706 K(o=-0.71,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 120 N THR A 5 111.025 12.582 -5.474 1.00 0.00 N ATOM 121 CA THR A 5 110.157 13.625 -5.059 1.00 0.00 C ATOM 122 C THR A 5 109.281 13.161 -3.915 1.00 0.00 C ATOM 123 O THR A 5 108.157 13.638 -3.723 1.00 0.00 O ATOM 124 CB THR A 5 109.390 14.277 -6.232 1.00 0.00 C ATOM 125 OG1 THR A 5 108.644 15.433 -5.798 1.00 0.00 O ATOM 126 CG2 THR A 5 108.480 13.294 -6.950 1.00 0.00 C ATOM 0 HA THR A 5 110.767 14.441 -4.670 1.00 0.00 H new ATOM 0 HB THR A 5 110.145 14.603 -6.948 1.00 0.00 H new ATOM 0 HG1 THR A 5 108.134 15.209 -4.992 1.00 0.00 H new ATOM 0 HG21 THR A 5 107.965 13.803 -7.765 1.00 0.00 H new ATOM 0 HG22 THR A 5 109.075 12.475 -7.353 1.00 0.00 H new ATOM 0 HG23 THR A 5 107.746 12.898 -6.248 1.00 0.00 H new ATOM 134 N ARG A 6 109.851 12.224 -3.138 1.00 0.00 N ATOM 135 CA ARG A 6 109.245 11.688 -1.926 1.00 0.00 C ATOM 136 C ARG A 6 107.912 11.004 -2.275 1.00 0.00 C ATOM 137 O ARG A 6 106.916 11.095 -1.571 1.00 0.00 O ATOM 138 CB ARG A 6 109.017 12.816 -0.906 1.00 0.00 C ATOM 139 CG ARG A 6 108.694 12.293 0.450 1.00 0.00 C ATOM 140 CD ARG A 6 109.949 11.999 1.258 1.00 0.00 C ATOM 141 NE ARG A 6 110.676 13.239 1.586 1.00 0.00 N ATOM 142 CZ ARG A 6 111.481 13.431 2.647 1.00 0.00 C ATOM 143 NH1 ARG A 6 111.781 12.425 3.462 1.00 0.00 N ATOM 144 NH2 ARG A 6 111.991 14.641 2.871 1.00 0.00 N ATOM 0 H ARG A 6 110.762 11.816 -3.346 1.00 0.00 H new ATOM 0 HA ARG A 6 109.916 10.952 -1.483 1.00 0.00 H new ATOM 0 HB2 ARG A 6 109.910 13.438 -0.850 1.00 0.00 H new ATOM 0 HB3 ARG A 6 108.204 13.455 -1.250 1.00 0.00 H new ATOM 0 HG2 ARG A 6 108.081 13.020 0.983 1.00 0.00 H new ATOM 0 HG3 ARG A 6 108.101 11.383 0.357 1.00 0.00 H new ATOM 0 HD2 ARG A 6 109.679 11.479 2.177 1.00 0.00 H new ATOM 0 HD3 ARG A 6 110.600 11.331 0.693 1.00 0.00 H new ATOM 0 HE ARG A 6 110.557 14.026 0.948 1.00 0.00 H new ATOM 0 HH11 ARG A 6 111.400 11.495 3.286 1.00 0.00 H new ATOM 0 HH12 ARG A 6 112.392 12.583 4.263 1.00 0.00 H new ATOM 0 HH21 ARG A 6 111.770 15.412 2.241 1.00 0.00 H new ATOM 0 HH22 ARG A 6 112.602 14.796 3.673 1.00 0.00 H new ATOM 158 N ASN A 7 107.888 10.393 -3.386 1.00 0.00 N ATOM 159 CA ASN A 7 106.677 9.717 -3.861 1.00 0.00 C ATOM 160 C ASN A 7 106.837 8.208 -4.143 1.00 0.00 C ATOM 161 O ASN A 7 107.582 7.771 -5.028 1.00 0.00 O ATOM 162 CB ASN A 7 106.125 10.410 -5.114 1.00 0.00 C ATOM 163 CG ASN A 7 105.171 11.580 -4.844 1.00 0.00 C ATOM 164 OD1 ASN A 7 105.335 12.256 -3.746 1.00 0.00 O flip ATOM 165 ND2 ASN A 7 104.263 11.850 -5.637 1.00 0.00 N flip ATOM 0 H ASN A 7 108.686 10.326 -4.018 1.00 0.00 H new ATOM 0 HA ASN A 7 105.976 9.797 -3.030 1.00 0.00 H new ATOM 0 HB2 ASN A 7 106.963 10.775 -5.708 1.00 0.00 H new ATOM 0 HB3 ASN A 7 105.604 9.669 -5.720 1.00 0.00 H new ATOM 0 HD21 ASN A 7 104.154 11.305 -6.492 1.00 0.00 H new ATOM 0 HD22 ASN A 7 103.622 12.618 -5.436 1.00 0.00 H new ATOM 172 N PRO A 8 106.054 7.361 -3.437 1.00 0.00 N ATOM 173 CA PRO A 8 106.009 5.929 -3.744 1.00 0.00 C ATOM 174 C PRO A 8 105.479 5.765 -5.109 1.00 0.00 C ATOM 175 O PRO A 8 105.810 4.853 -5.842 1.00 0.00 O ATOM 176 CB PRO A 8 104.910 5.400 -2.887 1.00 0.00 C ATOM 177 CG PRO A 8 104.563 6.420 -1.887 1.00 0.00 C ATOM 178 CD PRO A 8 105.168 7.716 -2.305 1.00 0.00 C ATOM 0 HA PRO A 8 106.985 5.461 -3.614 1.00 0.00 H new ATOM 0 HB2 PRO A 8 104.040 5.156 -3.496 1.00 0.00 H new ATOM 0 HB3 PRO A 8 105.224 4.479 -2.395 1.00 0.00 H new ATOM 0 HG2 PRO A 8 103.480 6.516 -1.804 1.00 0.00 H new ATOM 0 HG3 PRO A 8 104.933 6.128 -0.904 1.00 0.00 H new ATOM 0 HD2 PRO A 8 104.404 8.432 -2.608 1.00 0.00 H new ATOM 0 HD3 PRO A 8 105.729 8.174 -1.490 1.00 0.00 H new ATOM 186 N SER A 9 104.612 6.679 -5.403 1.00 0.00 N ATOM 187 CA SER A 9 103.905 6.711 -6.570 1.00 0.00 C ATOM 188 C SER A 9 104.823 7.084 -7.766 1.00 0.00 C ATOM 189 O SER A 9 104.504 6.775 -8.907 1.00 0.00 O ATOM 190 CB SER A 9 102.747 7.687 -6.404 1.00 0.00 C ATOM 191 OG SER A 9 101.885 7.715 -7.529 1.00 0.00 O ATOM 0 H SER A 9 104.391 7.452 -4.776 1.00 0.00 H new ATOM 0 HA SER A 9 103.503 5.723 -6.794 1.00 0.00 H new ATOM 0 HB2 SER A 9 102.172 7.414 -5.519 1.00 0.00 H new ATOM 0 HB3 SER A 9 103.143 8.688 -6.231 1.00 0.00 H new ATOM 0 HG SER A 9 101.160 8.355 -7.370 1.00 0.00 H new ATOM 197 N GLU A 10 105.971 7.749 -7.496 1.00 0.00 N ATOM 198 CA GLU A 10 106.878 8.100 -8.579 1.00 0.00 C ATOM 199 C GLU A 10 107.623 6.855 -8.958 1.00 0.00 C ATOM 200 O GLU A 10 107.890 6.618 -10.140 1.00 0.00 O ATOM 201 CB GLU A 10 107.872 9.235 -8.206 1.00 0.00 C ATOM 202 CG GLU A 10 108.979 8.841 -7.250 1.00 0.00 C ATOM 203 CD GLU A 10 109.752 9.996 -6.760 1.00 0.00 C ATOM 204 OE1 GLU A 10 110.365 10.681 -7.589 1.00 0.00 O ATOM 205 OE2 GLU A 10 109.716 10.279 -5.521 1.00 0.00 O ATOM 0 H GLU A 10 106.272 8.039 -6.565 1.00 0.00 H new ATOM 0 HA GLU A 10 106.293 8.489 -9.413 1.00 0.00 H new ATOM 0 HB2 GLU A 10 108.324 9.614 -9.122 1.00 0.00 H new ATOM 0 HB3 GLU A 10 107.309 10.057 -7.764 1.00 0.00 H new ATOM 0 HG2 GLU A 10 108.547 8.312 -6.400 1.00 0.00 H new ATOM 0 HG3 GLU A 10 109.653 8.145 -7.749 1.00 0.00 H new ATOM 212 N LEU A 11 107.936 6.044 -7.935 1.00 0.00 N ATOM 213 CA LEU A 11 108.592 4.775 -8.127 1.00 0.00 C ATOM 214 C LEU A 11 107.831 3.910 -9.108 1.00 0.00 C ATOM 215 O LEU A 11 106.602 3.783 -9.049 1.00 0.00 O ATOM 216 CB LEU A 11 108.805 4.073 -6.801 1.00 0.00 C ATOM 217 CG LEU A 11 109.751 4.777 -5.826 1.00 0.00 C ATOM 218 CD1 LEU A 11 109.806 4.025 -4.530 1.00 0.00 C ATOM 219 CD2 LEU A 11 111.146 4.893 -6.416 1.00 0.00 C ATOM 0 H LEU A 11 107.735 6.264 -6.960 1.00 0.00 H new ATOM 0 HA LEU A 11 109.575 4.961 -8.560 1.00 0.00 H new ATOM 0 HB2 LEU A 11 107.837 3.950 -6.315 1.00 0.00 H new ATOM 0 HB3 LEU A 11 109.192 3.073 -6.997 1.00 0.00 H new ATOM 0 HG LEU A 11 109.369 5.781 -5.643 1.00 0.00 H new ATOM 0 HD11 LEU A 11 110.482 4.534 -3.843 1.00 0.00 H new ATOM 0 HD12 LEU A 11 108.809 3.981 -4.092 1.00 0.00 H new ATOM 0 HD13 LEU A 11 110.168 3.013 -4.712 1.00 0.00 H new ATOM 0 HD21 LEU A 11 111.801 5.397 -5.705 1.00 0.00 H new ATOM 0 HD22 LEU A 11 111.536 3.897 -6.626 1.00 0.00 H new ATOM 0 HD23 LEU A 11 111.103 5.468 -7.341 1.00 0.00 H new ATOM 231 N LYS A 12 108.565 3.386 -10.038 1.00 0.00 N ATOM 232 CA LYS A 12 108.014 2.614 -11.141 1.00 0.00 C ATOM 233 C LYS A 12 107.824 1.148 -10.803 1.00 0.00 C ATOM 234 O LYS A 12 108.356 0.637 -9.808 1.00 0.00 O ATOM 235 CB LYS A 12 108.901 2.714 -12.369 1.00 0.00 C ATOM 236 CG LYS A 12 110.293 2.264 -12.082 1.00 0.00 C ATOM 237 CD LYS A 12 111.060 1.933 -13.329 1.00 0.00 C ATOM 238 CE LYS A 12 112.499 1.570 -13.013 1.00 0.00 C ATOM 239 NZ LYS A 12 113.310 1.370 -14.231 1.00 0.00 N ATOM 0 H LYS A 12 109.581 3.476 -10.066 1.00 0.00 H new ATOM 0 HA LYS A 12 107.034 3.047 -11.342 1.00 0.00 H new ATOM 0 HB2 LYS A 12 108.481 2.108 -13.172 1.00 0.00 H new ATOM 0 HB3 LYS A 12 108.917 3.745 -12.723 1.00 0.00 H new ATOM 0 HG2 LYS A 12 110.818 3.046 -11.533 1.00 0.00 H new ATOM 0 HG3 LYS A 12 110.262 1.387 -11.435 1.00 0.00 H new ATOM 0 HD2 LYS A 12 110.578 1.102 -13.845 1.00 0.00 H new ATOM 0 HD3 LYS A 12 111.039 2.785 -14.008 1.00 0.00 H new ATOM 0 HE2 LYS A 12 112.945 2.359 -12.408 1.00 0.00 H new ATOM 0 HE3 LYS A 12 112.518 0.660 -12.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 114.284 1.124 -13.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 112.902 0.599 -14.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 113.316 2.246 -14.792 1.00 0.00 H new ATOM 253 N GLY A 13 107.131 0.472 -11.681 1.00 0.00 N ATOM 254 CA GLY A 13 106.846 -0.919 -11.513 1.00 0.00 C ATOM 255 C GLY A 13 105.499 -1.126 -10.890 1.00 0.00 C ATOM 256 O GLY A 13 104.468 -0.911 -11.533 1.00 0.00 O ATOM 0 H GLY A 13 106.749 0.878 -12.535 1.00 0.00 H new ATOM 0 HA2 GLY A 13 106.883 -1.420 -12.481 1.00 0.00 H new ATOM 0 HA3 GLY A 13 107.613 -1.377 -10.888 1.00 0.00 H new ATOM 260 N LYS A 14 105.497 -1.539 -9.660 1.00 0.00 N ATOM 261 CA LYS A 14 104.287 -1.774 -8.918 1.00 0.00 C ATOM 262 C LYS A 14 104.478 -1.446 -7.460 1.00 0.00 C ATOM 263 O LYS A 14 105.525 -1.688 -6.899 1.00 0.00 O ATOM 264 CB LYS A 14 103.739 -3.198 -9.092 1.00 0.00 C ATOM 265 CG LYS A 14 104.752 -4.324 -9.012 1.00 0.00 C ATOM 266 CD LYS A 14 105.316 -4.695 -10.388 1.00 0.00 C ATOM 267 CE LYS A 14 106.236 -5.897 -10.297 1.00 0.00 C ATOM 268 NZ LYS A 14 106.688 -6.371 -11.621 1.00 0.00 N ATOM 0 H LYS A 14 106.348 -1.727 -9.130 1.00 0.00 H new ATOM 0 HA LYS A 14 103.536 -1.103 -9.334 1.00 0.00 H new ATOM 0 HB2 LYS A 14 102.979 -3.367 -8.329 1.00 0.00 H new ATOM 0 HB3 LYS A 14 103.239 -3.256 -10.059 1.00 0.00 H new ATOM 0 HG2 LYS A 14 105.569 -4.029 -8.354 1.00 0.00 H new ATOM 0 HG3 LYS A 14 104.283 -5.201 -8.565 1.00 0.00 H new ATOM 0 HD2 LYS A 14 104.497 -4.912 -11.073 1.00 0.00 H new ATOM 0 HD3 LYS A 14 105.861 -3.847 -10.801 1.00 0.00 H new ATOM 0 HE2 LYS A 14 107.105 -5.639 -9.692 1.00 0.00 H new ATOM 0 HE3 LYS A 14 105.719 -6.707 -9.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 107.313 -7.193 -11.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 105.863 -6.644 -12.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 107.206 -5.610 -12.104 1.00 0.00 H new ATOM 282 N PHE A 15 103.453 -0.942 -6.869 1.00 0.00 N ATOM 283 CA PHE A 15 103.453 -0.459 -5.530 1.00 0.00 C ATOM 284 C PHE A 15 102.602 -1.399 -4.701 1.00 0.00 C ATOM 285 O PHE A 15 101.424 -1.637 -5.021 1.00 0.00 O ATOM 286 CB PHE A 15 102.859 0.952 -5.573 1.00 0.00 C ATOM 287 CG PHE A 15 102.799 1.729 -4.291 1.00 0.00 C ATOM 288 CD1 PHE A 15 103.551 1.384 -3.184 1.00 0.00 C ATOM 289 CD2 PHE A 15 101.998 2.842 -4.227 1.00 0.00 C ATOM 290 CE1 PHE A 15 103.495 2.148 -2.034 1.00 0.00 C ATOM 291 CE2 PHE A 15 101.926 3.605 -3.090 1.00 0.00 C ATOM 292 CZ PHE A 15 102.675 3.265 -1.990 1.00 0.00 C ATOM 0 H PHE A 15 102.546 -0.850 -7.327 1.00 0.00 H new ATOM 0 HA PHE A 15 104.449 -0.419 -5.088 1.00 0.00 H new ATOM 0 HB2 PHE A 15 103.436 1.536 -6.291 1.00 0.00 H new ATOM 0 HB3 PHE A 15 101.845 0.876 -5.965 1.00 0.00 H new ATOM 0 HD1 PHE A 15 104.187 0.512 -3.218 1.00 0.00 H new ATOM 0 HD2 PHE A 15 101.412 3.122 -5.090 1.00 0.00 H new ATOM 0 HE1 PHE A 15 104.088 1.876 -1.173 1.00 0.00 H new ATOM 0 HE2 PHE A 15 101.282 4.471 -3.059 1.00 0.00 H new ATOM 0 HZ PHE A 15 102.625 3.866 -1.094 1.00 0.00 H new ATOM 302 N ILE A 16 103.191 -1.962 -3.682 1.00 0.00 N ATOM 303 CA ILE A 16 102.532 -2.921 -2.843 1.00 0.00 C ATOM 304 C ILE A 16 102.799 -2.644 -1.377 1.00 0.00 C ATOM 305 O ILE A 16 103.822 -2.066 -1.014 1.00 0.00 O ATOM 306 CB ILE A 16 102.877 -4.411 -3.180 1.00 0.00 C ATOM 307 CG1 ILE A 16 104.401 -4.685 -3.248 1.00 0.00 C ATOM 308 CG2 ILE A 16 102.165 -4.884 -4.450 1.00 0.00 C ATOM 309 CD1 ILE A 16 105.106 -4.151 -4.501 1.00 0.00 C ATOM 0 H ILE A 16 104.154 -1.764 -3.409 1.00 0.00 H new ATOM 0 HA ILE A 16 101.469 -2.797 -3.051 1.00 0.00 H new ATOM 0 HB ILE A 16 102.499 -5.001 -2.345 1.00 0.00 H new ATOM 0 HG12 ILE A 16 104.873 -4.244 -2.370 1.00 0.00 H new ATOM 0 HG13 ILE A 16 104.563 -5.761 -3.190 1.00 0.00 H new ATOM 0 HG21 ILE A 16 102.430 -5.922 -4.650 1.00 0.00 H new ATOM 0 HG22 ILE A 16 101.087 -4.804 -4.314 1.00 0.00 H new ATOM 0 HG23 ILE A 16 102.471 -4.263 -5.292 1.00 0.00 H new ATOM 0 HD11 ILE A 16 106.168 -4.394 -4.452 1.00 0.00 H new ATOM 0 HD12 ILE A 16 104.669 -4.610 -5.388 1.00 0.00 H new ATOM 0 HD13 ILE A 16 104.983 -3.069 -4.554 1.00 0.00 H new ATOM 321 N HIS A 17 101.874 -3.039 -0.561 1.00 0.00 N ATOM 322 CA HIS A 17 101.915 -2.808 0.859 1.00 0.00 C ATOM 323 C HIS A 17 101.689 -4.155 1.560 1.00 0.00 C ATOM 324 O HIS A 17 100.576 -4.681 1.599 1.00 0.00 O ATOM 325 CB HIS A 17 100.819 -1.769 1.165 1.00 0.00 C ATOM 326 CG HIS A 17 100.649 -1.275 2.583 1.00 0.00 C ATOM 327 ND1 HIS A 17 100.963 0.015 2.994 1.00 0.00 N ATOM 328 CD2 HIS A 17 100.060 -1.861 3.647 1.00 0.00 C ATOM 329 CE1 HIS A 17 100.558 0.160 4.246 1.00 0.00 C ATOM 330 NE2 HIS A 17 99.999 -0.946 4.697 1.00 0.00 N ATOM 0 H HIS A 17 101.043 -3.546 -0.867 1.00 0.00 H new ATOM 0 HA HIS A 17 102.868 -2.417 1.215 1.00 0.00 H new ATOM 0 HB2 HIS A 17 101.005 -0.900 0.534 1.00 0.00 H new ATOM 0 HB3 HIS A 17 99.866 -2.194 0.849 1.00 0.00 H new ATOM 0 HD2 HIS A 17 99.694 -2.877 3.680 1.00 0.00 H new ATOM 0 HE1 HIS A 17 100.671 1.066 4.823 1.00 0.00 H new ATOM 0 HE2 HIS A 17 99.603 -1.100 5.624 1.00 0.00 H new ATOM 338 N THR A 18 102.758 -4.727 2.019 1.00 0.00 N ATOM 339 CA THR A 18 102.744 -6.040 2.666 1.00 0.00 C ATOM 340 C THR A 18 103.213 -5.943 4.132 1.00 0.00 C ATOM 341 O THR A 18 104.159 -5.259 4.441 1.00 0.00 O ATOM 342 CB THR A 18 103.634 -7.072 1.879 1.00 0.00 C ATOM 343 OG1 THR A 18 103.634 -8.353 2.532 1.00 0.00 O ATOM 344 CG2 THR A 18 105.076 -6.589 1.732 1.00 0.00 C ATOM 0 H THR A 18 103.685 -4.306 1.964 1.00 0.00 H new ATOM 0 HA THR A 18 101.714 -6.396 2.656 1.00 0.00 H new ATOM 0 HB THR A 18 103.196 -7.166 0.885 1.00 0.00 H new ATOM 0 HG1 THR A 18 104.192 -8.979 2.025 1.00 0.00 H new ATOM 0 HG21 THR A 18 105.654 -7.332 1.183 1.00 0.00 H new ATOM 0 HG22 THR A 18 105.090 -5.644 1.189 1.00 0.00 H new ATOM 0 HG23 THR A 18 105.514 -6.446 2.720 1.00 0.00 H new ATOM 352 N LYS A 19 102.533 -6.624 5.012 1.00 0.00 N ATOM 353 CA LYS A 19 102.879 -6.632 6.425 1.00 0.00 C ATOM 354 C LYS A 19 104.041 -7.573 6.676 1.00 0.00 C ATOM 355 O LYS A 19 104.057 -8.704 6.169 1.00 0.00 O ATOM 356 CB LYS A 19 101.620 -7.014 7.257 1.00 0.00 C ATOM 357 CG LYS A 19 101.748 -7.171 8.798 1.00 0.00 C ATOM 358 CD LYS A 19 102.376 -8.511 9.228 1.00 0.00 C ATOM 359 CE LYS A 19 102.025 -8.859 10.662 1.00 0.00 C ATOM 360 NZ LYS A 19 100.562 -8.951 10.858 1.00 0.00 N ATOM 0 H LYS A 19 101.720 -7.194 4.779 1.00 0.00 H new ATOM 0 HA LYS A 19 103.202 -5.639 6.738 1.00 0.00 H new ATOM 0 HB2 LYS A 19 100.859 -6.257 7.067 1.00 0.00 H new ATOM 0 HB3 LYS A 19 101.239 -7.956 6.862 1.00 0.00 H new ATOM 0 HG2 LYS A 19 102.352 -6.353 9.190 1.00 0.00 H new ATOM 0 HG3 LYS A 19 100.759 -7.081 9.248 1.00 0.00 H new ATOM 0 HD2 LYS A 19 102.030 -9.304 8.566 1.00 0.00 H new ATOM 0 HD3 LYS A 19 103.459 -8.456 9.121 1.00 0.00 H new ATOM 0 HE2 LYS A 19 102.489 -9.808 10.931 1.00 0.00 H new ATOM 0 HE3 LYS A 19 102.435 -8.103 11.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 100.357 -9.613 11.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 100.184 -8.012 11.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 100.115 -9.293 9.983 1.00 0.00 H new ATOM 374 N LEU A 20 105.008 -7.105 7.435 1.00 0.00 N ATOM 375 CA LEU A 20 106.109 -7.908 7.835 1.00 0.00 C ATOM 376 C LEU A 20 106.088 -8.005 9.310 1.00 0.00 C ATOM 377 O LEU A 20 106.100 -6.984 10.031 1.00 0.00 O ATOM 378 CB LEU A 20 107.455 -7.377 7.331 1.00 0.00 C ATOM 379 CG LEU A 20 108.163 -8.259 6.300 1.00 0.00 C ATOM 380 CD1 LEU A 20 107.283 -8.587 5.110 1.00 0.00 C ATOM 381 CD2 LEU A 20 109.420 -7.598 5.851 1.00 0.00 C ATOM 0 H LEU A 20 105.039 -6.148 7.787 1.00 0.00 H new ATOM 0 HA LEU A 20 106.005 -8.895 7.384 1.00 0.00 H new ATOM 0 HB2 LEU A 20 107.297 -6.391 6.894 1.00 0.00 H new ATOM 0 HB3 LEU A 20 108.117 -7.244 8.186 1.00 0.00 H new ATOM 0 HG LEU A 20 108.398 -9.206 6.786 1.00 0.00 H new ATOM 0 HD11 LEU A 20 107.836 -9.215 4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 20 106.394 -9.118 5.450 1.00 0.00 H new ATOM 0 HD13 LEU A 20 106.986 -7.664 4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 20 109.921 -8.229 5.117 1.00 0.00 H new ATOM 0 HD22 LEU A 20 109.183 -6.635 5.400 1.00 0.00 H new ATOM 0 HD23 LEU A 20 110.077 -7.446 6.707 1.00 0.00 H new ATOM 393 N ARG A 21 105.969 -9.190 9.760 1.00 0.00 N ATOM 394 CA ARG A 21 105.935 -9.472 11.134 1.00 0.00 C ATOM 395 C ARG A 21 107.347 -9.497 11.662 1.00 0.00 C ATOM 396 O ARG A 21 108.089 -10.436 11.364 1.00 0.00 O ATOM 397 CB ARG A 21 105.278 -10.825 11.363 1.00 0.00 C ATOM 398 CG ARG A 21 105.161 -11.223 12.816 1.00 0.00 C ATOM 399 CD ARG A 21 104.659 -12.642 12.921 1.00 0.00 C ATOM 400 NE ARG A 21 104.588 -13.117 14.298 1.00 0.00 N ATOM 401 CZ ARG A 21 104.986 -14.331 14.698 1.00 0.00 C ATOM 402 NH1 ARG A 21 105.509 -15.188 13.819 1.00 0.00 N ATOM 403 NH2 ARG A 21 104.858 -14.687 15.963 1.00 0.00 N ATOM 0 H ARG A 21 105.890 -10.014 9.164 1.00 0.00 H new ATOM 0 HA ARG A 21 105.360 -8.706 11.654 1.00 0.00 H new ATOM 0 HB2 ARG A 21 104.282 -10.811 10.921 1.00 0.00 H new ATOM 0 HB3 ARG A 21 105.850 -11.588 10.835 1.00 0.00 H new ATOM 0 HG2 ARG A 21 106.131 -11.134 13.306 1.00 0.00 H new ATOM 0 HG3 ARG A 21 104.479 -10.548 13.333 1.00 0.00 H new ATOM 0 HD2 ARG A 21 103.670 -12.707 12.468 1.00 0.00 H new ATOM 0 HD3 ARG A 21 105.315 -13.298 12.349 1.00 0.00 H new ATOM 0 HE ARG A 21 104.211 -12.483 15.002 1.00 0.00 H new ATOM 0 HH11 ARG A 21 105.606 -14.919 12.840 1.00 0.00 H new ATOM 0 HH12 ARG A 21 105.812 -16.112 14.126 1.00 0.00 H new ATOM 0 HH21 ARG A 21 104.455 -14.037 16.638 1.00 0.00 H new ATOM 0 HH22 ARG A 21 105.162 -15.612 16.266 1.00 0.00 H new ATOM 417 N LYS A 22 107.717 -8.429 12.376 1.00 0.00 N ATOM 418 CA LYS A 22 108.972 -8.286 13.077 1.00 0.00 C ATOM 419 C LYS A 22 109.464 -9.579 13.610 1.00 0.00 C ATOM 420 O LYS A 22 108.911 -10.094 14.600 1.00 0.00 O ATOM 421 CB LYS A 22 108.785 -7.403 14.268 1.00 0.00 C ATOM 422 CG LYS A 22 108.816 -5.926 14.060 1.00 0.00 C ATOM 423 CD LYS A 22 107.795 -5.370 13.184 1.00 0.00 C ATOM 424 CE LYS A 22 107.379 -3.973 13.655 1.00 0.00 C ATOM 425 NZ LYS A 22 108.458 -2.966 13.644 1.00 0.00 N ATOM 0 H LYS A 22 107.115 -7.612 12.478 1.00 0.00 H new ATOM 0 HA LYS A 22 109.682 -7.878 12.357 1.00 0.00 H new ATOM 0 HB2 LYS A 22 107.827 -7.656 14.723 1.00 0.00 H new ATOM 0 HB3 LYS A 22 109.559 -7.654 14.994 1.00 0.00 H new ATOM 0 HG2 LYS A 22 108.730 -5.443 15.033 1.00 0.00 H new ATOM 0 HG3 LYS A 22 109.793 -5.659 13.657 1.00 0.00 H new ATOM 0 HD2 LYS A 22 108.174 -5.317 12.163 1.00 0.00 H new ATOM 0 HD3 LYS A 22 106.926 -6.027 13.168 1.00 0.00 H new ATOM 0 HE2 LYS A 22 106.565 -3.619 13.022 1.00 0.00 H new ATOM 0 HE3 LYS A 22 106.984 -4.050 14.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 108.070 -2.039 13.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 109.197 -3.242 14.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 108.868 -2.907 12.690 1.00 0.00 H new ATOM 439 N SER A 23 110.481 -10.071 12.958 1.00 0.00 N ATOM 440 CA SER A 23 111.142 -11.282 13.294 1.00 0.00 C ATOM 441 C SER A 23 112.149 -10.986 14.442 1.00 0.00 C ATOM 442 O SER A 23 111.908 -10.075 15.258 1.00 0.00 O ATOM 443 CB SER A 23 111.827 -11.819 11.996 1.00 0.00 C ATOM 444 OG SER A 23 112.458 -13.089 12.173 1.00 0.00 O ATOM 0 H SER A 23 110.883 -9.610 12.142 1.00 0.00 H new ATOM 0 HA SER A 23 110.460 -12.051 13.656 1.00 0.00 H new ATOM 0 HB2 SER A 23 111.080 -11.899 11.206 1.00 0.00 H new ATOM 0 HB3 SER A 23 112.570 -11.096 11.660 1.00 0.00 H new ATOM 0 HG SER A 23 112.866 -13.372 11.328 1.00 0.00 H new ATOM 450 N SER A 24 113.222 -11.727 14.515 1.00 0.00 N ATOM 451 CA SER A 24 114.229 -11.581 15.558 1.00 0.00 C ATOM 452 C SER A 24 114.918 -10.178 15.555 1.00 0.00 C ATOM 453 O SER A 24 115.984 -9.991 14.957 1.00 0.00 O ATOM 454 CB SER A 24 115.255 -12.679 15.387 1.00 0.00 C ATOM 455 OG SER A 24 114.607 -13.947 15.299 1.00 0.00 O ATOM 0 H SER A 24 113.434 -12.465 13.844 1.00 0.00 H new ATOM 0 HA SER A 24 113.731 -11.664 16.524 1.00 0.00 H new ATOM 0 HB2 SER A 24 115.844 -12.500 14.488 1.00 0.00 H new ATOM 0 HB3 SER A 24 115.948 -12.674 16.228 1.00 0.00 H new ATOM 0 HG SER A 24 115.279 -14.651 15.187 1.00 0.00 H new ATOM 461 N ARG A 25 114.253 -9.206 16.196 1.00 0.00 N ATOM 462 CA ARG A 25 114.738 -7.856 16.381 1.00 0.00 C ATOM 463 C ARG A 25 115.040 -7.146 15.100 1.00 0.00 C ATOM 464 O ARG A 25 116.070 -6.487 14.944 1.00 0.00 O ATOM 465 CB ARG A 25 115.846 -7.799 17.374 1.00 0.00 C ATOM 466 CG ARG A 25 115.253 -7.801 18.742 1.00 0.00 C ATOM 467 CD ARG A 25 116.258 -7.947 19.789 1.00 0.00 C ATOM 468 NE ARG A 25 117.301 -6.916 19.745 1.00 0.00 N ATOM 469 CZ ARG A 25 117.552 -6.021 20.707 1.00 0.00 C ATOM 470 NH1 ARG A 25 116.771 -5.948 21.786 1.00 0.00 N ATOM 471 NH2 ARG A 25 118.580 -5.187 20.573 1.00 0.00 N ATOM 0 H ARG A 25 113.333 -9.357 16.609 1.00 0.00 H new ATOM 0 HA ARG A 25 113.913 -7.288 16.810 1.00 0.00 H new ATOM 0 HB2 ARG A 25 116.512 -8.653 17.248 1.00 0.00 H new ATOM 0 HB3 ARG A 25 116.446 -6.902 17.222 1.00 0.00 H new ATOM 0 HG2 ARG A 25 114.704 -6.872 18.897 1.00 0.00 H new ATOM 0 HG3 ARG A 25 114.532 -8.614 18.820 1.00 0.00 H new ATOM 0 HD2 ARG A 25 115.766 -7.914 20.761 1.00 0.00 H new ATOM 0 HD3 ARG A 25 116.724 -8.928 19.700 1.00 0.00 H new ATOM 0 HE ARG A 25 117.885 -6.878 18.909 1.00 0.00 H new ATOM 0 HH11 ARG A 25 115.975 -6.578 21.883 1.00 0.00 H new ATOM 0 HH12 ARG A 25 116.970 -5.262 22.514 1.00 0.00 H new ATOM 0 HH21 ARG A 25 119.169 -5.233 19.742 1.00 0.00 H new ATOM 0 HH22 ARG A 25 118.779 -4.501 21.302 1.00 0.00 H new ATOM 485 N GLY A 26 114.133 -7.300 14.180 1.00 0.00 N ATOM 486 CA GLY A 26 114.260 -6.699 12.909 1.00 0.00 C ATOM 487 C GLY A 26 113.457 -7.439 11.912 1.00 0.00 C ATOM 488 O GLY A 26 112.300 -7.814 12.175 1.00 0.00 O ATOM 0 H GLY A 26 113.284 -7.852 14.303 1.00 0.00 H new ATOM 0 HA2 GLY A 26 113.930 -5.661 12.955 1.00 0.00 H new ATOM 0 HA3 GLY A 26 115.307 -6.687 12.607 1.00 0.00 H new ATOM 492 N PHE A 27 114.045 -7.695 10.800 1.00 0.00 N ATOM 493 CA PHE A 27 113.373 -8.301 9.718 1.00 0.00 C ATOM 494 C PHE A 27 114.144 -9.493 9.169 1.00 0.00 C ATOM 495 O PHE A 27 113.856 -10.625 9.542 1.00 0.00 O ATOM 496 CB PHE A 27 113.124 -7.239 8.662 1.00 0.00 C ATOM 497 CG PHE A 27 112.104 -6.254 9.081 1.00 0.00 C ATOM 498 CD1 PHE A 27 110.766 -6.602 9.209 1.00 0.00 C ATOM 499 CD2 PHE A 27 112.494 -4.999 9.428 1.00 0.00 C ATOM 500 CE1 PHE A 27 109.850 -5.678 9.671 1.00 0.00 C ATOM 501 CE2 PHE A 27 111.603 -4.104 9.895 1.00 0.00 C ATOM 502 CZ PHE A 27 110.283 -4.433 10.018 1.00 0.00 C ATOM 0 H PHE A 27 115.026 -7.484 10.617 1.00 0.00 H new ATOM 0 HA PHE A 27 112.418 -8.704 10.055 1.00 0.00 H new ATOM 0 HB2 PHE A 27 114.058 -6.721 8.445 1.00 0.00 H new ATOM 0 HB3 PHE A 27 112.803 -7.719 7.737 1.00 0.00 H new ATOM 0 HD1 PHE A 27 110.441 -7.598 8.947 1.00 0.00 H new ATOM 0 HD2 PHE A 27 113.531 -4.716 9.328 1.00 0.00 H new ATOM 0 HE1 PHE A 27 108.805 -5.938 9.756 1.00 0.00 H new ATOM 0 HE2 PHE A 27 111.936 -3.115 10.175 1.00 0.00 H new ATOM 0 HZ PHE A 27 109.580 -3.704 10.392 1.00 0.00 H new ATOM 512 N GLY A 28 115.169 -9.259 8.398 1.00 0.00 N ATOM 513 CA GLY A 28 115.825 -10.357 7.698 1.00 0.00 C ATOM 514 C GLY A 28 115.939 -10.116 6.208 1.00 0.00 C ATOM 515 O GLY A 28 115.491 -10.927 5.370 1.00 0.00 O ATOM 0 H GLY A 28 115.572 -8.337 8.232 1.00 0.00 H new ATOM 0 HA2 GLY A 28 116.821 -10.505 8.115 1.00 0.00 H new ATOM 0 HA3 GLY A 28 115.267 -11.277 7.871 1.00 0.00 H new ATOM 519 N PHE A 29 116.469 -8.991 5.880 1.00 0.00 N ATOM 520 CA PHE A 29 116.825 -8.637 4.541 1.00 0.00 C ATOM 521 C PHE A 29 117.792 -7.499 4.610 1.00 0.00 C ATOM 522 O PHE A 29 117.689 -6.654 5.477 1.00 0.00 O ATOM 523 CB PHE A 29 115.607 -8.363 3.616 1.00 0.00 C ATOM 524 CG PHE A 29 114.606 -7.373 4.107 1.00 0.00 C ATOM 525 CD1 PHE A 29 113.558 -7.777 4.889 1.00 0.00 C ATOM 526 CD2 PHE A 29 114.700 -6.057 3.761 1.00 0.00 C ATOM 527 CE1 PHE A 29 112.621 -6.875 5.322 1.00 0.00 C ATOM 528 CE2 PHE A 29 113.759 -5.138 4.186 1.00 0.00 C ATOM 529 CZ PHE A 29 112.718 -5.550 4.971 1.00 0.00 C ATOM 0 H PHE A 29 116.677 -8.260 6.560 1.00 0.00 H new ATOM 0 HA PHE A 29 117.303 -9.491 4.062 1.00 0.00 H new ATOM 0 HB2 PHE A 29 115.982 -8.019 2.652 1.00 0.00 H new ATOM 0 HB3 PHE A 29 115.093 -9.308 3.440 1.00 0.00 H new ATOM 0 HD1 PHE A 29 113.468 -8.817 5.168 1.00 0.00 H new ATOM 0 HD2 PHE A 29 115.523 -5.728 3.145 1.00 0.00 H new ATOM 0 HE1 PHE A 29 111.802 -7.208 5.942 1.00 0.00 H new ATOM 0 HE2 PHE A 29 113.846 -4.100 3.900 1.00 0.00 H new ATOM 0 HZ PHE A 29 111.979 -4.840 5.312 1.00 0.00 H new ATOM 539 N THR A 30 118.738 -7.478 3.770 1.00 0.00 N ATOM 540 CA THR A 30 119.686 -6.440 3.836 1.00 0.00 C ATOM 541 C THR A 30 119.428 -5.495 2.701 1.00 0.00 C ATOM 542 O THR A 30 119.111 -5.925 1.582 1.00 0.00 O ATOM 543 CB THR A 30 121.125 -6.998 3.888 1.00 0.00 C ATOM 544 OG1 THR A 30 121.377 -7.824 2.749 1.00 0.00 O ATOM 545 CG2 THR A 30 121.278 -7.850 5.141 1.00 0.00 C ATOM 0 H THR A 30 118.883 -8.162 3.028 1.00 0.00 H new ATOM 0 HA THR A 30 119.582 -5.876 4.763 1.00 0.00 H new ATOM 0 HB THR A 30 121.828 -6.165 3.896 1.00 0.00 H new ATOM 0 HG1 THR A 30 122.293 -8.170 2.792 1.00 0.00 H new ATOM 0 HG21 THR A 30 122.291 -8.249 5.188 1.00 0.00 H new ATOM 0 HG22 THR A 30 121.088 -7.238 6.023 1.00 0.00 H new ATOM 0 HG23 THR A 30 120.564 -8.673 5.110 1.00 0.00 H new ATOM 553 N VAL A 31 119.479 -4.229 2.974 1.00 0.00 N ATOM 554 CA VAL A 31 119.067 -3.253 2.009 1.00 0.00 C ATOM 555 C VAL A 31 120.181 -2.244 1.705 1.00 0.00 C ATOM 556 O VAL A 31 121.091 -2.075 2.487 1.00 0.00 O ATOM 557 CB VAL A 31 117.779 -2.514 2.514 1.00 0.00 C ATOM 558 CG1 VAL A 31 116.680 -3.481 2.839 1.00 0.00 C ATOM 559 CG2 VAL A 31 118.058 -1.683 3.704 1.00 0.00 C ATOM 0 H VAL A 31 119.803 -3.844 3.861 1.00 0.00 H new ATOM 0 HA VAL A 31 118.842 -3.776 1.079 1.00 0.00 H new ATOM 0 HB VAL A 31 117.456 -1.868 1.698 1.00 0.00 H new ATOM 0 HG11 VAL A 31 115.804 -2.933 3.186 1.00 0.00 H new ATOM 0 HG12 VAL A 31 116.422 -4.052 1.947 1.00 0.00 H new ATOM 0 HG13 VAL A 31 117.014 -4.162 3.621 1.00 0.00 H new ATOM 0 HG21 VAL A 31 117.142 -1.187 4.024 1.00 0.00 H new ATOM 0 HG22 VAL A 31 118.429 -2.315 4.510 1.00 0.00 H new ATOM 0 HG23 VAL A 31 118.809 -0.933 3.456 1.00 0.00 H new ATOM 569 N VAL A 32 120.091 -1.611 0.562 1.00 0.00 N ATOM 570 CA VAL A 32 120.988 -0.576 0.138 1.00 0.00 C ATOM 571 C VAL A 32 120.227 0.662 -0.125 1.00 0.00 C ATOM 572 O VAL A 32 119.196 0.634 -0.758 1.00 0.00 O ATOM 573 CB VAL A 32 121.833 -0.933 -1.118 1.00 0.00 C ATOM 574 CG1 VAL A 32 122.888 -1.928 -0.754 1.00 0.00 C ATOM 575 CG2 VAL A 32 120.954 -1.473 -2.268 1.00 0.00 C ATOM 0 H VAL A 32 119.362 -1.814 -0.122 1.00 0.00 H new ATOM 0 HA VAL A 32 121.696 -0.442 0.956 1.00 0.00 H new ATOM 0 HB VAL A 32 122.306 -0.018 -1.475 1.00 0.00 H new ATOM 0 HG11 VAL A 32 123.477 -2.174 -1.638 1.00 0.00 H new ATOM 0 HG12 VAL A 32 123.540 -1.504 0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 32 122.418 -2.832 -0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 32 121.583 -1.710 -3.126 1.00 0.00 H new ATOM 0 HG22 VAL A 32 120.436 -2.373 -1.938 1.00 0.00 H new ATOM 0 HG23 VAL A 32 120.222 -0.717 -2.552 1.00 0.00 H new ATOM 585 N GLY A 33 120.702 1.730 0.372 1.00 0.00 N ATOM 586 CA GLY A 33 120.056 2.953 0.128 1.00 0.00 C ATOM 587 C GLY A 33 119.861 3.671 1.378 1.00 0.00 C ATOM 588 O GLY A 33 120.765 3.621 2.245 1.00 0.00 O ATOM 0 H GLY A 33 121.539 1.785 0.953 1.00 0.00 H new ATOM 0 HA2 GLY A 33 120.650 3.556 -0.559 1.00 0.00 H new ATOM 0 HA3 GLY A 33 119.094 2.776 -0.353 1.00 0.00 H new ATOM 592 N GLY A 34 118.693 4.330 1.461 1.00 0.00 N ATOM 593 CA GLY A 34 118.250 5.139 2.597 1.00 0.00 C ATOM 594 C GLY A 34 119.360 5.876 3.190 1.00 0.00 C ATOM 595 O GLY A 34 119.683 5.735 4.328 1.00 0.00 O ATOM 0 H GLY A 34 118.008 4.310 0.706 1.00 0.00 H new ATOM 0 HA2 GLY A 34 117.481 5.838 2.270 1.00 0.00 H new ATOM 0 HA3 GLY A 34 117.796 4.494 3.350 1.00 0.00 H new ATOM 599 N ASP A 35 119.960 6.622 2.384 1.00 0.00 N ATOM 600 CA ASP A 35 121.152 7.312 2.729 1.00 0.00 C ATOM 601 C ASP A 35 120.795 8.733 2.940 1.00 0.00 C ATOM 602 O ASP A 35 121.322 9.399 3.845 1.00 0.00 O ATOM 603 CB ASP A 35 122.121 7.123 1.540 1.00 0.00 C ATOM 604 CG ASP A 35 123.581 7.504 1.769 1.00 0.00 C ATOM 605 OD1 ASP A 35 123.941 7.969 2.877 1.00 0.00 O ATOM 606 OD2 ASP A 35 124.399 7.303 0.832 1.00 0.00 O ATOM 0 H ASP A 35 119.644 6.790 1.429 1.00 0.00 H new ATOM 0 HA ASP A 35 121.627 6.944 3.639 1.00 0.00 H new ATOM 0 HB2 ASP A 35 122.087 6.076 1.239 1.00 0.00 H new ATOM 0 HB3 ASP A 35 121.746 7.708 0.701 1.00 0.00 H new ATOM 611 N GLU A 36 119.806 9.197 2.202 1.00 0.00 N ATOM 612 CA GLU A 36 119.528 10.574 2.226 1.00 0.00 C ATOM 613 C GLU A 36 118.072 10.770 2.277 1.00 0.00 C ATOM 614 O GLU A 36 117.311 9.849 2.067 1.00 0.00 O ATOM 615 CB GLU A 36 120.081 11.244 0.968 1.00 0.00 C ATOM 616 CG GLU A 36 121.437 10.805 0.587 1.00 0.00 C ATOM 617 CD GLU A 36 122.108 11.779 -0.350 1.00 0.00 C ATOM 618 OE1 GLU A 36 121.914 11.685 -1.590 1.00 0.00 O ATOM 619 OE2 GLU A 36 122.805 12.693 0.131 1.00 0.00 O ATOM 0 H GLU A 36 119.206 8.635 1.598 1.00 0.00 H new ATOM 0 HA GLU A 36 119.997 11.019 3.103 1.00 0.00 H new ATOM 0 HB2 GLU A 36 119.402 11.047 0.138 1.00 0.00 H new ATOM 0 HB3 GLU A 36 120.092 12.323 1.121 1.00 0.00 H new ATOM 0 HG2 GLU A 36 122.045 10.689 1.484 1.00 0.00 H new ATOM 0 HG3 GLU A 36 121.380 9.826 0.111 1.00 0.00 H new ATOM 626 N PRO A 37 117.655 12.004 2.496 1.00 0.00 N ATOM 627 CA PRO A 37 116.256 12.391 2.459 1.00 0.00 C ATOM 628 C PRO A 37 115.784 12.372 1.018 1.00 0.00 C ATOM 629 O PRO A 37 114.609 12.485 0.731 1.00 0.00 O ATOM 630 CB PRO A 37 116.318 13.830 2.981 1.00 0.00 C ATOM 631 CG PRO A 37 117.599 13.901 3.718 1.00 0.00 C ATOM 632 CD PRO A 37 118.498 13.162 2.822 1.00 0.00 C ATOM 0 HA PRO A 37 115.583 11.749 3.027 1.00 0.00 H new ATOM 0 HB2 PRO A 37 116.290 14.550 2.164 1.00 0.00 H new ATOM 0 HB3 PRO A 37 115.473 14.053 3.632 1.00 0.00 H new ATOM 0 HG2 PRO A 37 117.927 14.929 3.871 1.00 0.00 H new ATOM 0 HG3 PRO A 37 117.531 13.439 4.703 1.00 0.00 H new ATOM 0 HD2 PRO A 37 118.770 13.739 1.938 1.00 0.00 H new ATOM 0 HD3 PRO A 37 119.428 12.874 3.313 1.00 0.00 H new ATOM 640 N ASP A 38 116.756 12.200 0.145 1.00 0.00 N ATOM 641 CA ASP A 38 116.610 12.183 -1.282 1.00 0.00 C ATOM 642 C ASP A 38 116.878 10.762 -1.847 1.00 0.00 C ATOM 643 O ASP A 38 116.581 10.472 -3.000 1.00 0.00 O ATOM 644 CB ASP A 38 117.611 13.205 -1.847 1.00 0.00 C ATOM 645 CG ASP A 38 117.675 13.281 -3.359 1.00 0.00 C ATOM 646 OD1 ASP A 38 116.791 13.904 -3.974 1.00 0.00 O ATOM 647 OD2 ASP A 38 118.666 12.777 -3.954 1.00 0.00 O ATOM 0 H ASP A 38 117.723 12.061 0.438 1.00 0.00 H new ATOM 0 HA ASP A 38 115.593 12.446 -1.572 1.00 0.00 H new ATOM 0 HB2 ASP A 38 117.355 14.192 -1.461 1.00 0.00 H new ATOM 0 HB3 ASP A 38 118.604 12.963 -1.469 1.00 0.00 H new ATOM 652 N GLU A 39 117.399 9.869 -1.006 1.00 0.00 N ATOM 653 CA GLU A 39 117.751 8.531 -1.427 1.00 0.00 C ATOM 654 C GLU A 39 117.044 7.498 -0.538 1.00 0.00 C ATOM 655 O GLU A 39 117.318 7.442 0.683 1.00 0.00 O ATOM 656 CB GLU A 39 119.261 8.366 -1.335 1.00 0.00 C ATOM 657 CG GLU A 39 119.773 7.018 -1.760 1.00 0.00 C ATOM 658 CD GLU A 39 119.531 6.717 -3.225 1.00 0.00 C ATOM 659 OE1 GLU A 39 118.385 6.471 -3.611 1.00 0.00 O ATOM 660 OE2 GLU A 39 120.509 6.642 -3.999 1.00 0.00 O ATOM 0 H GLU A 39 117.585 10.060 -0.021 1.00 0.00 H new ATOM 0 HA GLU A 39 117.432 8.372 -2.457 1.00 0.00 H new ATOM 0 HB2 GLU A 39 119.734 9.130 -1.951 1.00 0.00 H new ATOM 0 HB3 GLU A 39 119.571 8.549 -0.306 1.00 0.00 H new ATOM 0 HG2 GLU A 39 120.843 6.963 -1.557 1.00 0.00 H new ATOM 0 HG3 GLU A 39 119.294 6.248 -1.155 1.00 0.00 H new ATOM 667 N PHE A 40 116.222 6.655 -1.199 1.00 0.00 N ATOM 668 CA PHE A 40 115.288 5.636 -0.606 1.00 0.00 C ATOM 669 C PHE A 40 116.013 4.311 -0.377 1.00 0.00 C ATOM 670 O PHE A 40 117.132 4.126 -0.866 1.00 0.00 O ATOM 671 CB PHE A 40 114.106 5.350 -1.554 1.00 0.00 C ATOM 672 CG PHE A 40 113.403 6.542 -2.167 1.00 0.00 C ATOM 673 CD1 PHE A 40 112.772 7.490 -1.387 1.00 0.00 C ATOM 674 CD2 PHE A 40 113.343 6.672 -3.549 1.00 0.00 C ATOM 675 CE1 PHE A 40 112.096 8.551 -1.975 1.00 0.00 C ATOM 676 CE2 PHE A 40 112.675 7.728 -4.140 1.00 0.00 C ATOM 677 CZ PHE A 40 112.048 8.668 -3.355 1.00 0.00 C ATOM 0 H PHE A 40 116.179 6.656 -2.218 1.00 0.00 H new ATOM 0 HA PHE A 40 114.927 6.048 0.336 1.00 0.00 H new ATOM 0 HB2 PHE A 40 114.469 4.719 -2.365 1.00 0.00 H new ATOM 0 HB3 PHE A 40 113.366 4.768 -1.004 1.00 0.00 H new ATOM 0 HD1 PHE A 40 112.804 7.406 -0.311 1.00 0.00 H new ATOM 0 HD2 PHE A 40 113.827 5.935 -4.173 1.00 0.00 H new ATOM 0 HE1 PHE A 40 111.606 9.287 -1.355 1.00 0.00 H new ATOM 0 HE2 PHE A 40 112.645 7.815 -5.216 1.00 0.00 H new ATOM 0 HZ PHE A 40 111.521 9.493 -3.812 1.00 0.00 H new ATOM 687 N LEU A 41 115.412 3.397 0.416 1.00 0.00 N ATOM 688 CA LEU A 41 116.087 2.125 0.692 1.00 0.00 C ATOM 689 C LEU A 41 115.637 1.102 -0.299 1.00 0.00 C ATOM 690 O LEU A 41 114.544 1.152 -0.731 1.00 0.00 O ATOM 691 CB LEU A 41 115.855 1.574 2.101 1.00 0.00 C ATOM 692 CG LEU A 41 116.353 2.374 3.289 1.00 0.00 C ATOM 693 CD1 LEU A 41 115.441 3.552 3.613 1.00 0.00 C ATOM 694 CD2 LEU A 41 116.522 1.464 4.478 1.00 0.00 C ATOM 0 H LEU A 41 114.499 3.513 0.857 1.00 0.00 H new ATOM 0 HA LEU A 41 117.154 2.332 0.612 1.00 0.00 H new ATOM 0 HB2 LEU A 41 114.782 1.430 2.227 1.00 0.00 H new ATOM 0 HB3 LEU A 41 116.317 0.588 2.150 1.00 0.00 H new ATOM 0 HG LEU A 41 117.322 2.801 3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 41 115.838 4.095 4.471 1.00 0.00 H new ATOM 0 HD12 LEU A 41 115.390 4.220 2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 41 114.442 3.185 3.847 1.00 0.00 H new ATOM 0 HD21 LEU A 41 116.880 2.042 5.330 1.00 0.00 H new ATOM 0 HD22 LEU A 41 115.564 1.007 4.726 1.00 0.00 H new ATOM 0 HD23 LEU A 41 117.245 0.684 4.239 1.00 0.00 H new ATOM 706 N GLN A 42 116.491 0.230 -0.689 1.00 0.00 N ATOM 707 CA GLN A 42 116.168 -0.801 -1.636 1.00 0.00 C ATOM 708 C GLN A 42 116.724 -2.098 -1.083 1.00 0.00 C ATOM 709 O GLN A 42 117.617 -2.063 -0.340 1.00 0.00 O ATOM 710 CB GLN A 42 116.882 -0.470 -2.913 1.00 0.00 C ATOM 711 CG GLN A 42 116.518 -1.326 -4.102 1.00 0.00 C ATOM 712 CD GLN A 42 117.501 -1.167 -5.240 1.00 0.00 C ATOM 713 OE1 GLN A 42 118.074 -0.097 -5.443 1.00 0.00 O ATOM 714 NE2 GLN A 42 117.748 -2.222 -5.955 1.00 0.00 N ATOM 0 H GLN A 42 117.456 0.202 -0.360 1.00 0.00 H new ATOM 0 HA GLN A 42 115.095 -0.884 -1.810 1.00 0.00 H new ATOM 0 HB2 GLN A 42 116.680 0.572 -3.162 1.00 0.00 H new ATOM 0 HB3 GLN A 42 117.955 -0.555 -2.741 1.00 0.00 H new ATOM 0 HG2 GLN A 42 116.483 -2.372 -3.798 1.00 0.00 H new ATOM 0 HG3 GLN A 42 115.519 -1.060 -4.447 1.00 0.00 H new ATOM 0 HE21 GLN A 42 117.257 -3.095 -5.763 1.00 0.00 H new ATOM 0 HE22 GLN A 42 118.433 -2.178 -6.709 1.00 0.00 H new ATOM 723 N ILE A 43 116.200 -3.207 -1.459 1.00 0.00 N ATOM 724 CA ILE A 43 116.663 -4.499 -0.914 1.00 0.00 C ATOM 725 C ILE A 43 117.840 -5.007 -1.751 1.00 0.00 C ATOM 726 O ILE A 43 117.698 -5.146 -2.969 1.00 0.00 O ATOM 727 CB ILE A 43 115.568 -5.615 -0.986 1.00 0.00 C ATOM 728 CG1 ILE A 43 114.173 -5.112 -0.595 1.00 0.00 C ATOM 729 CG2 ILE A 43 115.955 -6.825 -0.133 1.00 0.00 C ATOM 730 CD1 ILE A 43 114.065 -4.525 0.768 1.00 0.00 C ATOM 0 H ILE A 43 115.446 -3.281 -2.142 1.00 0.00 H new ATOM 0 HA ILE A 43 116.928 -4.315 0.127 1.00 0.00 H new ATOM 0 HB ILE A 43 115.516 -5.920 -2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 43 113.859 -4.362 -1.321 1.00 0.00 H new ATOM 0 HG13 ILE A 43 113.471 -5.943 -0.671 1.00 0.00 H new ATOM 0 HG21 ILE A 43 115.175 -7.584 -0.203 1.00 0.00 H new ATOM 0 HG22 ILE A 43 116.897 -7.238 -0.494 1.00 0.00 H new ATOM 0 HG23 ILE A 43 116.069 -6.516 0.906 1.00 0.00 H new ATOM 0 HD11 ILE A 43 113.039 -4.201 0.944 1.00 0.00 H new ATOM 0 HD12 ILE A 43 114.341 -5.274 1.510 1.00 0.00 H new ATOM 0 HD13 ILE A 43 114.735 -3.669 0.850 1.00 0.00 H new ATOM 742 N LYS A 44 118.966 -5.322 -1.107 1.00 0.00 N ATOM 743 CA LYS A 44 120.139 -5.857 -1.820 1.00 0.00 C ATOM 744 C LYS A 44 120.234 -7.344 -1.626 1.00 0.00 C ATOM 745 O LYS A 44 120.895 -8.031 -2.399 1.00 0.00 O ATOM 746 CB LYS A 44 121.478 -5.226 -1.395 1.00 0.00 C ATOM 747 CG LYS A 44 121.872 -5.523 0.067 1.00 0.00 C ATOM 748 CD LYS A 44 123.334 -5.196 0.412 1.00 0.00 C ATOM 749 CE LYS A 44 124.322 -6.043 -0.377 1.00 0.00 C ATOM 750 NZ LYS A 44 125.713 -5.825 0.074 1.00 0.00 N ATOM 0 H LYS A 44 119.095 -5.219 -0.100 1.00 0.00 H new ATOM 0 HA LYS A 44 119.978 -5.602 -2.867 1.00 0.00 H new ATOM 0 HB2 LYS A 44 122.266 -5.590 -2.055 1.00 0.00 H new ATOM 0 HB3 LYS A 44 121.420 -4.146 -1.533 1.00 0.00 H new ATOM 0 HG2 LYS A 44 121.220 -4.953 0.729 1.00 0.00 H new ATOM 0 HG3 LYS A 44 121.691 -6.578 0.272 1.00 0.00 H new ATOM 0 HD2 LYS A 44 123.524 -4.141 0.212 1.00 0.00 H new ATOM 0 HD3 LYS A 44 123.496 -5.353 1.478 1.00 0.00 H new ATOM 0 HE2 LYS A 44 124.065 -7.097 -0.269 1.00 0.00 H new ATOM 0 HE3 LYS A 44 124.242 -5.803 -1.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 126.357 -6.419 -0.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 125.966 -4.824 -0.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 125.796 -6.078 1.079 1.00 0.00 H new ATOM 764 N SER A 45 119.650 -7.842 -0.570 1.00 0.00 N ATOM 765 CA SER A 45 119.586 -9.255 -0.357 1.00 0.00 C ATOM 766 C SER A 45 118.357 -9.583 0.448 1.00 0.00 C ATOM 767 O SER A 45 118.120 -9.006 1.505 1.00 0.00 O ATOM 768 CB SER A 45 120.838 -9.758 0.377 1.00 0.00 C ATOM 769 OG SER A 45 122.026 -9.419 -0.333 1.00 0.00 O ATOM 0 H SER A 45 119.209 -7.282 0.160 1.00 0.00 H new ATOM 0 HA SER A 45 119.537 -9.751 -1.326 1.00 0.00 H new ATOM 0 HB2 SER A 45 120.874 -9.326 1.377 1.00 0.00 H new ATOM 0 HB3 SER A 45 120.781 -10.840 0.499 1.00 0.00 H new ATOM 0 HG SER A 45 121.789 -9.030 -1.201 1.00 0.00 H new ATOM 775 N LEU A 46 117.583 -10.469 -0.069 1.00 0.00 N ATOM 776 CA LEU A 46 116.440 -10.978 0.565 1.00 0.00 C ATOM 777 C LEU A 46 116.938 -12.151 1.427 1.00 0.00 C ATOM 778 O LEU A 46 117.375 -13.182 0.892 1.00 0.00 O ATOM 779 CB LEU A 46 115.504 -11.397 -0.587 1.00 0.00 C ATOM 780 CG LEU A 46 114.078 -11.830 -0.311 1.00 0.00 C ATOM 781 CD1 LEU A 46 114.016 -13.205 0.280 1.00 0.00 C ATOM 782 CD2 LEU A 46 113.356 -10.820 0.557 1.00 0.00 C ATOM 0 H LEU A 46 117.746 -10.873 -0.992 1.00 0.00 H new ATOM 0 HA LEU A 46 115.897 -10.293 1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 46 115.455 -10.558 -1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 46 115.992 -12.218 -1.113 1.00 0.00 H new ATOM 0 HG LEU A 46 113.562 -11.872 -1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 46 112.976 -13.476 0.462 1.00 0.00 H new ATOM 0 HD12 LEU A 46 114.461 -13.919 -0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 46 114.566 -13.222 1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 46 112.336 -11.159 0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 46 113.878 -10.719 1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 46 113.334 -9.855 0.051 1.00 0.00 H new ATOM 794 N VAL A 47 116.937 -11.973 2.738 1.00 0.00 N ATOM 795 CA VAL A 47 117.512 -12.941 3.623 1.00 0.00 C ATOM 796 C VAL A 47 116.515 -14.043 3.978 1.00 0.00 C ATOM 797 O VAL A 47 115.370 -13.784 4.405 1.00 0.00 O ATOM 798 CB VAL A 47 118.089 -12.255 4.891 1.00 0.00 C ATOM 799 CG1 VAL A 47 118.577 -13.264 5.892 1.00 0.00 C ATOM 800 CG2 VAL A 47 119.214 -11.298 4.514 1.00 0.00 C ATOM 0 H VAL A 47 116.539 -11.158 3.204 1.00 0.00 H new ATOM 0 HA VAL A 47 118.339 -13.422 3.101 1.00 0.00 H new ATOM 0 HB VAL A 47 117.282 -11.688 5.355 1.00 0.00 H new ATOM 0 HG11 VAL A 47 118.974 -12.747 6.766 1.00 0.00 H new ATOM 0 HG12 VAL A 47 117.750 -13.906 6.195 1.00 0.00 H new ATOM 0 HG13 VAL A 47 119.362 -13.872 5.443 1.00 0.00 H new ATOM 0 HG21 VAL A 47 119.607 -10.826 5.414 1.00 0.00 H new ATOM 0 HG22 VAL A 47 120.011 -11.851 4.017 1.00 0.00 H new ATOM 0 HG23 VAL A 47 118.830 -10.532 3.841 1.00 0.00 H new ATOM 810 N LEU A 48 116.951 -15.262 3.781 1.00 0.00 N ATOM 811 CA LEU A 48 116.168 -16.438 4.054 1.00 0.00 C ATOM 812 C LEU A 48 116.165 -16.732 5.503 1.00 0.00 C ATOM 813 O LEU A 48 116.929 -17.594 5.980 1.00 0.00 O ATOM 814 CB LEU A 48 116.726 -17.593 3.310 1.00 0.00 C ATOM 815 CG LEU A 48 116.641 -17.484 1.792 1.00 0.00 C ATOM 816 CD1 LEU A 48 117.237 -18.699 1.120 1.00 0.00 C ATOM 817 CD2 LEU A 48 115.202 -17.271 1.367 1.00 0.00 C ATOM 0 H LEU A 48 117.882 -15.467 3.418 1.00 0.00 H new ATOM 0 HA LEU A 48 115.142 -16.259 3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 48 117.772 -17.717 3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 48 116.202 -18.496 3.624 1.00 0.00 H new ATOM 0 HG LEU A 48 117.227 -16.621 1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 48 117.161 -18.590 0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 48 118.286 -18.793 1.402 1.00 0.00 H new ATOM 0 HD13 LEU A 48 116.695 -19.591 1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 48 115.151 -17.194 0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 48 114.596 -18.113 1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 48 114.823 -16.352 1.814 1.00 0.00 H new ATOM 829 N ASP A 49 115.252 -16.084 6.174 1.00 0.00 N ATOM 830 CA ASP A 49 115.181 -16.064 7.641 1.00 0.00 C ATOM 831 C ASP A 49 114.249 -14.941 8.100 1.00 0.00 C ATOM 832 O ASP A 49 113.673 -14.981 9.191 1.00 0.00 O ATOM 833 CB ASP A 49 116.592 -15.837 8.196 1.00 0.00 C ATOM 834 CG ASP A 49 116.666 -15.509 9.673 1.00 0.00 C ATOM 835 OD1 ASP A 49 116.751 -16.450 10.497 1.00 0.00 O ATOM 836 OD2 ASP A 49 116.676 -14.307 10.051 1.00 0.00 O ATOM 0 H ASP A 49 114.516 -15.540 5.725 1.00 0.00 H new ATOM 0 HA ASP A 49 114.789 -17.012 8.009 1.00 0.00 H new ATOM 0 HB2 ASP A 49 117.185 -16.732 8.010 1.00 0.00 H new ATOM 0 HB3 ASP A 49 117.057 -15.025 7.637 1.00 0.00 H new ATOM 841 N GLY A 50 114.073 -13.967 7.239 1.00 0.00 N ATOM 842 CA GLY A 50 113.262 -12.838 7.569 1.00 0.00 C ATOM 843 C GLY A 50 111.890 -12.899 7.017 1.00 0.00 C ATOM 844 O GLY A 50 111.687 -13.534 6.008 1.00 0.00 O ATOM 0 H GLY A 50 114.484 -13.941 6.306 1.00 0.00 H new ATOM 0 HA2 GLY A 50 113.202 -12.751 8.654 1.00 0.00 H new ATOM 0 HA3 GLY A 50 113.750 -11.934 7.203 1.00 0.00 H new ATOM 848 N PRO A 51 110.967 -12.042 7.490 1.00 0.00 N ATOM 849 CA PRO A 51 109.568 -12.208 7.229 1.00 0.00 C ATOM 850 C PRO A 51 109.255 -11.988 5.749 1.00 0.00 C ATOM 851 O PRO A 51 108.306 -12.504 5.231 1.00 0.00 O ATOM 852 CB PRO A 51 108.872 -11.252 8.225 1.00 0.00 C ATOM 853 CG PRO A 51 109.956 -10.439 8.853 1.00 0.00 C ATOM 854 CD PRO A 51 111.214 -10.727 8.096 1.00 0.00 C ATOM 0 HA PRO A 51 109.197 -13.220 7.392 1.00 0.00 H new ATOM 0 HB2 PRO A 51 108.154 -10.612 7.712 1.00 0.00 H new ATOM 0 HB3 PRO A 51 108.319 -11.812 8.979 1.00 0.00 H new ATOM 0 HG2 PRO A 51 109.715 -9.377 8.811 1.00 0.00 H new ATOM 0 HG3 PRO A 51 110.072 -10.698 9.906 1.00 0.00 H new ATOM 0 HD2 PRO A 51 111.407 -9.968 7.338 1.00 0.00 H new ATOM 0 HD3 PRO A 51 112.082 -10.747 8.755 1.00 0.00 H new ATOM 862 N ALA A 52 110.124 -11.241 5.093 1.00 0.00 N ATOM 863 CA ALA A 52 110.066 -10.995 3.663 1.00 0.00 C ATOM 864 C ALA A 52 110.123 -12.325 2.855 1.00 0.00 C ATOM 865 O ALA A 52 109.251 -12.593 2.016 1.00 0.00 O ATOM 866 CB ALA A 52 111.240 -10.112 3.289 1.00 0.00 C ATOM 0 H ALA A 52 110.909 -10.777 5.551 1.00 0.00 H new ATOM 0 HA ALA A 52 109.123 -10.506 3.420 1.00 0.00 H new ATOM 0 HB1 ALA A 52 111.219 -9.913 2.218 1.00 0.00 H new ATOM 0 HB2 ALA A 52 111.176 -9.171 3.835 1.00 0.00 H new ATOM 0 HB3 ALA A 52 112.171 -10.617 3.545 1.00 0.00 H new ATOM 872 N ALA A 53 111.133 -13.160 3.139 1.00 0.00 N ATOM 873 CA ALA A 53 111.320 -14.457 2.446 1.00 0.00 C ATOM 874 C ALA A 53 110.317 -15.427 2.912 1.00 0.00 C ATOM 875 O ALA A 53 109.793 -16.254 2.169 1.00 0.00 O ATOM 876 CB ALA A 53 112.665 -15.062 2.797 1.00 0.00 C ATOM 0 H ALA A 53 111.840 -12.964 3.847 1.00 0.00 H new ATOM 0 HA ALA A 53 111.237 -14.264 1.377 1.00 0.00 H new ATOM 0 HB1 ALA A 53 112.783 -16.013 2.278 1.00 0.00 H new ATOM 0 HB2 ALA A 53 113.460 -14.382 2.492 1.00 0.00 H new ATOM 0 HB3 ALA A 53 112.720 -15.226 3.873 1.00 0.00 H new ATOM 882 N LEU A 54 110.081 -15.300 4.147 1.00 0.00 N ATOM 883 CA LEU A 54 109.324 -16.185 4.929 1.00 0.00 C ATOM 884 C LEU A 54 107.849 -16.095 4.586 1.00 0.00 C ATOM 885 O LEU A 54 107.130 -17.100 4.552 1.00 0.00 O ATOM 886 CB LEU A 54 109.646 -15.851 6.378 1.00 0.00 C ATOM 887 CG LEU A 54 111.051 -16.301 6.939 1.00 0.00 C ATOM 888 CD1 LEU A 54 110.953 -17.664 7.317 1.00 0.00 C ATOM 889 CD2 LEU A 54 112.126 -16.366 5.886 1.00 0.00 C ATOM 0 H LEU A 54 110.439 -14.512 4.686 1.00 0.00 H new ATOM 0 HA LEU A 54 109.577 -17.227 4.736 1.00 0.00 H new ATOM 0 HB2 LEU A 54 109.567 -14.771 6.499 1.00 0.00 H new ATOM 0 HB3 LEU A 54 108.875 -16.299 7.005 1.00 0.00 H new ATOM 0 HG LEU A 54 111.295 -15.585 7.723 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.912 -18.003 7.709 1.00 0.00 H new ATOM 0 HD12 LEU A 54 110.187 -17.774 8.085 1.00 0.00 H new ATOM 0 HD13 LEU A 54 110.684 -18.264 6.448 1.00 0.00 H new ATOM 0 HD21 LEU A 54 113.064 -16.682 6.343 1.00 0.00 H new ATOM 0 HD22 LEU A 54 111.838 -17.082 5.116 1.00 0.00 H new ATOM 0 HD23 LEU A 54 112.255 -15.381 5.436 1.00 0.00 H new ATOM 901 N ASP A 55 107.401 -14.895 4.333 1.00 0.00 N ATOM 902 CA ASP A 55 106.040 -14.668 3.838 1.00 0.00 C ATOM 903 C ASP A 55 106.034 -14.927 2.349 1.00 0.00 C ATOM 904 O ASP A 55 105.046 -15.346 1.756 1.00 0.00 O ATOM 905 CB ASP A 55 105.578 -13.231 4.099 1.00 0.00 C ATOM 906 CG ASP A 55 104.096 -13.031 3.854 1.00 0.00 C ATOM 907 OD1 ASP A 55 103.290 -13.304 4.767 1.00 0.00 O ATOM 908 OD2 ASP A 55 103.710 -12.583 2.774 1.00 0.00 O ATOM 0 H ASP A 55 107.951 -14.045 4.457 1.00 0.00 H new ATOM 0 HA ASP A 55 105.358 -15.338 4.361 1.00 0.00 H new ATOM 0 HB2 ASP A 55 105.810 -12.962 5.130 1.00 0.00 H new ATOM 0 HB3 ASP A 55 106.141 -12.552 3.459 1.00 0.00 H new ATOM 913 N GLY A 56 107.223 -14.740 1.783 1.00 0.00 N ATOM 914 CA GLY A 56 107.483 -14.959 0.384 1.00 0.00 C ATOM 915 C GLY A 56 106.813 -13.978 -0.500 1.00 0.00 C ATOM 916 O GLY A 56 106.361 -14.323 -1.592 1.00 0.00 O ATOM 0 H GLY A 56 108.042 -14.426 2.304 1.00 0.00 H new ATOM 0 HA2 GLY A 56 108.558 -14.917 0.211 1.00 0.00 H new ATOM 0 HA3 GLY A 56 107.155 -15.963 0.114 1.00 0.00 H new ATOM 920 N LYS A 57 106.783 -12.760 -0.072 1.00 0.00 N ATOM 921 CA LYS A 57 106.058 -11.754 -0.784 1.00 0.00 C ATOM 922 C LYS A 57 106.970 -10.582 -1.202 1.00 0.00 C ATOM 923 O LYS A 57 106.526 -9.636 -1.850 1.00 0.00 O ATOM 924 CB LYS A 57 104.883 -11.316 0.106 1.00 0.00 C ATOM 925 CG LYS A 57 103.924 -10.281 -0.486 1.00 0.00 C ATOM 926 CD LYS A 57 103.259 -10.777 -1.776 1.00 0.00 C ATOM 927 CE LYS A 57 102.321 -11.945 -1.553 1.00 0.00 C ATOM 928 NZ LYS A 57 101.742 -12.419 -2.826 1.00 0.00 N ATOM 0 H LYS A 57 107.254 -12.433 0.772 1.00 0.00 H new ATOM 0 HA LYS A 57 105.669 -12.151 -1.722 1.00 0.00 H new ATOM 0 HB2 LYS A 57 104.307 -12.203 0.370 1.00 0.00 H new ATOM 0 HB3 LYS A 57 105.290 -10.912 1.033 1.00 0.00 H new ATOM 0 HG2 LYS A 57 103.155 -10.040 0.248 1.00 0.00 H new ATOM 0 HG3 LYS A 57 104.469 -9.359 -0.691 1.00 0.00 H new ATOM 0 HD2 LYS A 57 102.705 -9.956 -2.230 1.00 0.00 H new ATOM 0 HD3 LYS A 57 104.032 -11.071 -2.486 1.00 0.00 H new ATOM 0 HE2 LYS A 57 102.860 -12.760 -1.070 1.00 0.00 H new ATOM 0 HE3 LYS A 57 101.521 -11.647 -0.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 101.104 -13.219 -2.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 101.208 -11.647 -3.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 102.506 -12.725 -3.462 1.00 0.00 H new ATOM 942 N MET A 58 108.244 -10.672 -0.871 1.00 0.00 N ATOM 943 CA MET A 58 109.218 -9.619 -1.199 1.00 0.00 C ATOM 944 C MET A 58 110.412 -10.228 -1.907 1.00 0.00 C ATOM 945 O MET A 58 110.646 -11.438 -1.783 1.00 0.00 O ATOM 946 CB MET A 58 109.684 -8.891 0.059 1.00 0.00 C ATOM 947 CG MET A 58 108.628 -8.074 0.758 1.00 0.00 C ATOM 948 SD MET A 58 109.201 -7.431 2.345 1.00 0.00 S ATOM 949 CE MET A 58 110.766 -6.674 1.891 1.00 0.00 C ATOM 0 H MET A 58 108.642 -11.466 -0.371 1.00 0.00 H new ATOM 0 HA MET A 58 108.731 -8.896 -1.854 1.00 0.00 H new ATOM 0 HB2 MET A 58 110.075 -9.627 0.761 1.00 0.00 H new ATOM 0 HB3 MET A 58 110.512 -8.234 -0.207 1.00 0.00 H new ATOM 0 HG2 MET A 58 108.331 -7.244 0.118 1.00 0.00 H new ATOM 0 HG3 MET A 58 107.741 -8.688 0.916 1.00 0.00 H new ATOM 0 HE1 MET A 58 110.893 -5.742 2.442 1.00 0.00 H new ATOM 0 HE2 MET A 58 111.583 -7.353 2.135 1.00 0.00 H new ATOM 0 HE3 MET A 58 110.773 -6.467 0.821 1.00 0.00 H new ATOM 959 N GLU A 59 111.154 -9.411 -2.629 1.00 0.00 N ATOM 960 CA GLU A 59 112.309 -9.854 -3.400 1.00 0.00 C ATOM 961 C GLU A 59 113.459 -8.863 -3.266 1.00 0.00 C ATOM 962 O GLU A 59 113.280 -7.724 -2.827 1.00 0.00 O ATOM 963 CB GLU A 59 111.962 -9.926 -4.891 1.00 0.00 C ATOM 964 CG GLU A 59 111.023 -11.032 -5.320 1.00 0.00 C ATOM 965 CD GLU A 59 110.835 -11.034 -6.820 1.00 0.00 C ATOM 966 OE1 GLU A 59 111.816 -11.294 -7.553 1.00 0.00 O ATOM 967 OE2 GLU A 59 109.719 -10.747 -7.307 1.00 0.00 O ATOM 0 H GLU A 59 110.974 -8.410 -2.700 1.00 0.00 H new ATOM 0 HA GLU A 59 112.594 -10.833 -3.016 1.00 0.00 H new ATOM 0 HB2 GLU A 59 111.521 -8.973 -5.184 1.00 0.00 H new ATOM 0 HB3 GLU A 59 112.891 -10.033 -5.451 1.00 0.00 H new ATOM 0 HG2 GLU A 59 111.419 -11.995 -4.999 1.00 0.00 H new ATOM 0 HG3 GLU A 59 110.058 -10.905 -4.829 1.00 0.00 H new ATOM 974 N THR A 60 114.641 -9.310 -3.643 1.00 0.00 N ATOM 975 CA THR A 60 115.778 -8.473 -3.739 1.00 0.00 C ATOM 976 C THR A 60 115.563 -7.563 -4.950 1.00 0.00 C ATOM 977 O THR A 60 115.472 -8.044 -6.098 1.00 0.00 O ATOM 978 CB THR A 60 117.015 -9.327 -3.984 1.00 0.00 C ATOM 979 OG1 THR A 60 117.117 -10.366 -3.002 1.00 0.00 O ATOM 980 CG2 THR A 60 118.228 -8.491 -3.927 1.00 0.00 C ATOM 0 H THR A 60 114.821 -10.283 -3.891 1.00 0.00 H new ATOM 0 HA THR A 60 115.914 -7.896 -2.824 1.00 0.00 H new ATOM 0 HB THR A 60 116.924 -9.777 -4.972 1.00 0.00 H new ATOM 0 HG1 THR A 60 117.917 -10.905 -3.177 1.00 0.00 H new ATOM 0 HG21 THR A 60 119.106 -9.112 -4.104 1.00 0.00 H new ATOM 0 HG22 THR A 60 118.172 -7.716 -4.691 1.00 0.00 H new ATOM 0 HG23 THR A 60 118.304 -8.026 -2.944 1.00 0.00 H new ATOM 988 N GLY A 61 115.480 -6.292 -4.703 1.00 0.00 N ATOM 989 CA GLY A 61 115.175 -5.360 -5.743 1.00 0.00 C ATOM 990 C GLY A 61 114.079 -4.411 -5.328 1.00 0.00 C ATOM 991 O GLY A 61 113.982 -3.310 -5.865 1.00 0.00 O ATOM 0 H GLY A 61 115.620 -5.875 -3.783 1.00 0.00 H new ATOM 0 HA2 GLY A 61 116.070 -4.794 -6.000 1.00 0.00 H new ATOM 0 HA3 GLY A 61 114.871 -5.900 -6.640 1.00 0.00 H new ATOM 995 N ASP A 62 113.249 -4.840 -4.363 1.00 0.00 N ATOM 996 CA ASP A 62 112.180 -3.980 -3.821 1.00 0.00 C ATOM 997 C ASP A 62 112.751 -2.725 -3.259 1.00 0.00 C ATOM 998 O ASP A 62 113.798 -2.741 -2.643 1.00 0.00 O ATOM 999 CB ASP A 62 111.409 -4.634 -2.674 1.00 0.00 C ATOM 1000 CG ASP A 62 110.309 -5.552 -3.075 1.00 0.00 C ATOM 1001 OD1 ASP A 62 109.332 -5.087 -3.682 1.00 0.00 O ATOM 1002 OD2 ASP A 62 110.374 -6.754 -2.766 1.00 0.00 O ATOM 0 H ASP A 62 113.295 -5.769 -3.944 1.00 0.00 H new ATOM 0 HA ASP A 62 111.512 -3.794 -4.662 1.00 0.00 H new ATOM 0 HB2 ASP A 62 112.115 -5.190 -2.057 1.00 0.00 H new ATOM 0 HB3 ASP A 62 110.990 -3.847 -2.047 1.00 0.00 H new ATOM 1007 N VAL A 63 112.095 -1.652 -3.457 1.00 0.00 N ATOM 1008 CA VAL A 63 112.516 -0.440 -2.846 1.00 0.00 C ATOM 1009 C VAL A 63 111.578 -0.008 -1.752 1.00 0.00 C ATOM 1010 O VAL A 63 110.388 0.237 -1.979 1.00 0.00 O ATOM 1011 CB VAL A 63 112.956 0.688 -3.846 1.00 0.00 C ATOM 1012 CG1 VAL A 63 112.155 0.630 -5.097 1.00 0.00 C ATOM 1013 CG2 VAL A 63 112.873 2.086 -3.233 1.00 0.00 C ATOM 0 H VAL A 63 111.260 -1.579 -4.038 1.00 0.00 H new ATOM 0 HA VAL A 63 113.458 -0.665 -2.346 1.00 0.00 H new ATOM 0 HB VAL A 63 114.003 0.500 -4.081 1.00 0.00 H new ATOM 0 HG11 VAL A 63 112.479 1.421 -5.773 1.00 0.00 H new ATOM 0 HG12 VAL A 63 112.299 -0.338 -5.576 1.00 0.00 H new ATOM 0 HG13 VAL A 63 111.100 0.765 -4.860 1.00 0.00 H new ATOM 0 HG21 VAL A 63 113.189 2.825 -3.969 1.00 0.00 H new ATOM 0 HG22 VAL A 63 111.846 2.290 -2.931 1.00 0.00 H new ATOM 0 HG23 VAL A 63 113.525 2.140 -2.361 1.00 0.00 H new ATOM 1023 N ILE A 64 112.132 0.002 -0.559 1.00 0.00 N ATOM 1024 CA ILE A 64 111.464 0.355 0.642 1.00 0.00 C ATOM 1025 C ILE A 64 111.145 1.833 0.635 1.00 0.00 C ATOM 1026 O ILE A 64 112.087 2.730 0.635 1.00 0.00 O ATOM 1027 CB ILE A 64 112.287 -0.004 1.913 1.00 0.00 C ATOM 1028 CG1 ILE A 64 112.557 -1.512 1.997 1.00 0.00 C ATOM 1029 CG2 ILE A 64 111.600 0.493 3.193 1.00 0.00 C ATOM 1030 CD1 ILE A 64 111.308 -2.371 2.082 1.00 0.00 C ATOM 0 H ILE A 64 113.109 -0.251 -0.410 1.00 0.00 H new ATOM 0 HA ILE A 64 110.543 -0.227 0.682 1.00 0.00 H new ATOM 0 HB ILE A 64 113.245 0.509 1.827 1.00 0.00 H new ATOM 0 HG12 ILE A 64 113.132 -1.815 1.122 1.00 0.00 H new ATOM 0 HG13 ILE A 64 113.178 -1.709 2.871 1.00 0.00 H new ATOM 0 HG21 ILE A 64 112.205 0.223 4.059 1.00 0.00 H new ATOM 0 HG22 ILE A 64 111.491 1.577 3.150 1.00 0.00 H new ATOM 0 HG23 ILE A 64 110.616 0.032 3.280 1.00 0.00 H new ATOM 0 HD11 ILE A 64 111.592 -3.422 2.138 1.00 0.00 H new ATOM 0 HD12 ILE A 64 110.740 -2.101 2.972 1.00 0.00 H new ATOM 0 HD13 ILE A 64 110.693 -2.208 1.197 1.00 0.00 H new ATOM 1042 N VAL A 65 109.842 2.067 0.610 1.00 0.00 N ATOM 1043 CA VAL A 65 109.248 3.358 0.554 1.00 0.00 C ATOM 1044 C VAL A 65 108.882 3.823 1.947 1.00 0.00 C ATOM 1045 O VAL A 65 109.341 4.840 2.393 1.00 0.00 O ATOM 1046 CB VAL A 65 107.942 3.302 -0.287 1.00 0.00 C ATOM 1047 CG1 VAL A 65 107.276 4.653 -0.367 1.00 0.00 C ATOM 1048 CG2 VAL A 65 108.210 2.767 -1.675 1.00 0.00 C ATOM 0 H VAL A 65 109.153 1.315 0.630 1.00 0.00 H new ATOM 0 HA VAL A 65 109.964 4.044 0.103 1.00 0.00 H new ATOM 0 HB VAL A 65 107.261 2.619 0.222 1.00 0.00 H new ATOM 0 HG11 VAL A 65 106.366 4.576 -0.963 1.00 0.00 H new ATOM 0 HG12 VAL A 65 107.024 4.995 0.637 1.00 0.00 H new ATOM 0 HG13 VAL A 65 107.955 5.366 -0.833 1.00 0.00 H new ATOM 0 HG21 VAL A 65 107.278 2.739 -2.240 1.00 0.00 H new ATOM 0 HG22 VAL A 65 108.924 3.415 -2.183 1.00 0.00 H new ATOM 0 HG23 VAL A 65 108.621 1.760 -1.604 1.00 0.00 H new ATOM 1058 N SER A 66 108.056 3.076 2.633 1.00 0.00 N ATOM 1059 CA SER A 66 107.575 3.483 3.942 1.00 0.00 C ATOM 1060 C SER A 66 107.098 2.282 4.727 1.00 0.00 C ATOM 1061 O SER A 66 107.039 1.168 4.203 1.00 0.00 O ATOM 1062 CB SER A 66 106.427 4.516 3.810 1.00 0.00 C ATOM 1063 OG SER A 66 106.856 5.700 3.139 1.00 0.00 O ATOM 0 H SER A 66 107.697 2.177 2.311 1.00 0.00 H new ATOM 0 HA SER A 66 108.403 3.949 4.476 1.00 0.00 H new ATOM 0 HB2 SER A 66 105.596 4.069 3.264 1.00 0.00 H new ATOM 0 HB3 SER A 66 106.054 4.774 4.801 1.00 0.00 H new ATOM 0 HG SER A 66 106.107 6.328 3.072 1.00 0.00 H new ATOM 1069 N VAL A 67 106.768 2.502 5.969 1.00 0.00 N ATOM 1070 CA VAL A 67 106.306 1.465 6.822 1.00 0.00 C ATOM 1071 C VAL A 67 105.273 2.060 7.761 1.00 0.00 C ATOM 1072 O VAL A 67 105.272 3.275 7.965 1.00 0.00 O ATOM 1073 CB VAL A 67 107.499 0.850 7.627 1.00 0.00 C ATOM 1074 CG1 VAL A 67 108.074 1.816 8.640 1.00 0.00 C ATOM 1075 CG2 VAL A 67 107.109 -0.432 8.292 1.00 0.00 C ATOM 0 H VAL A 67 106.816 3.419 6.414 1.00 0.00 H new ATOM 0 HA VAL A 67 105.858 0.662 6.236 1.00 0.00 H new ATOM 0 HB VAL A 67 108.281 0.638 6.898 1.00 0.00 H new ATOM 0 HG11 VAL A 67 108.898 1.339 9.170 1.00 0.00 H new ATOM 0 HG12 VAL A 67 108.439 2.706 8.128 1.00 0.00 H new ATOM 0 HG13 VAL A 67 107.300 2.100 9.353 1.00 0.00 H new ATOM 0 HG21 VAL A 67 107.962 -0.831 8.842 1.00 0.00 H new ATOM 0 HG22 VAL A 67 106.286 -0.248 8.982 1.00 0.00 H new ATOM 0 HG23 VAL A 67 106.795 -1.153 7.537 1.00 0.00 H new ATOM 1085 N ASN A 68 104.359 1.225 8.224 1.00 0.00 N ATOM 1086 CA ASN A 68 103.369 1.549 9.259 1.00 0.00 C ATOM 1087 C ASN A 68 103.909 2.572 10.261 1.00 0.00 C ATOM 1088 O ASN A 68 104.895 2.320 10.965 1.00 0.00 O ATOM 1089 CB ASN A 68 103.023 0.255 9.977 1.00 0.00 C ATOM 1090 CG ASN A 68 102.294 0.399 11.289 1.00 0.00 C ATOM 1091 OD1 ASN A 68 102.635 -0.467 12.185 1.00 0.00 O flip ATOM 1092 ND2 ASN A 68 101.470 1.296 11.501 1.00 0.00 N flip ATOM 0 H ASN A 68 104.276 0.267 7.883 1.00 0.00 H new ATOM 0 HA ASN A 68 102.489 1.993 8.794 1.00 0.00 H new ATOM 0 HB2 ASN A 68 102.413 -0.355 9.311 1.00 0.00 H new ATOM 0 HB3 ASN A 68 103.947 -0.295 10.156 1.00 0.00 H new ATOM 0 HD21 ASN A 68 101.233 1.957 10.761 1.00 0.00 H new ATOM 0 HD22 ASN A 68 101.027 1.375 12.416 1.00 0.00 H new ATOM 1099 N ASP A 69 103.295 3.739 10.229 1.00 0.00 N ATOM 1100 CA ASP A 69 103.605 4.912 11.086 1.00 0.00 C ATOM 1101 C ASP A 69 104.883 5.681 10.708 1.00 0.00 C ATOM 1102 O ASP A 69 104.899 6.911 10.732 1.00 0.00 O ATOM 1103 CB ASP A 69 103.619 4.578 12.581 1.00 0.00 C ATOM 1104 CG ASP A 69 104.004 5.775 13.425 1.00 0.00 C ATOM 1105 OD1 ASP A 69 103.128 6.649 13.674 1.00 0.00 O ATOM 1106 OD2 ASP A 69 105.167 5.858 13.862 1.00 0.00 O ATOM 0 H ASP A 69 102.528 3.924 9.582 1.00 0.00 H new ATOM 0 HA ASP A 69 102.771 5.584 10.883 1.00 0.00 H new ATOM 0 HB2 ASP A 69 102.633 4.223 12.883 1.00 0.00 H new ATOM 0 HB3 ASP A 69 104.321 3.764 12.764 1.00 0.00 H new ATOM 1111 N THR A 70 105.913 4.993 10.326 1.00 0.00 N ATOM 1112 CA THR A 70 107.178 5.643 10.106 1.00 0.00 C ATOM 1113 C THR A 70 107.426 5.898 8.618 1.00 0.00 C ATOM 1114 O THR A 70 107.433 4.974 7.785 1.00 0.00 O ATOM 1115 CB THR A 70 108.315 4.816 10.716 1.00 0.00 C ATOM 1116 OG1 THR A 70 107.970 4.467 12.084 1.00 0.00 O ATOM 1117 CG2 THR A 70 109.618 5.602 10.714 1.00 0.00 C ATOM 0 H THR A 70 105.909 3.987 10.159 1.00 0.00 H new ATOM 0 HA THR A 70 107.149 6.613 10.602 1.00 0.00 H new ATOM 0 HB THR A 70 108.451 3.915 10.118 1.00 0.00 H new ATOM 0 HG1 THR A 70 108.693 3.936 12.479 1.00 0.00 H new ATOM 0 HG21 THR A 70 110.410 4.994 11.152 1.00 0.00 H new ATOM 0 HG22 THR A 70 109.884 5.862 9.690 1.00 0.00 H new ATOM 0 HG23 THR A 70 109.494 6.513 11.299 1.00 0.00 H new ATOM 1125 N CYS A 71 107.635 7.139 8.292 1.00 0.00 N ATOM 1126 CA CYS A 71 107.857 7.537 6.938 1.00 0.00 C ATOM 1127 C CYS A 71 109.321 7.331 6.597 1.00 0.00 C ATOM 1128 O CYS A 71 110.133 8.243 6.669 1.00 0.00 O ATOM 1129 CB CYS A 71 107.446 8.989 6.746 1.00 0.00 C ATOM 1130 SG CYS A 71 107.316 9.531 5.023 1.00 0.00 S ATOM 0 H CYS A 71 107.656 7.906 8.964 1.00 0.00 H new ATOM 0 HA CYS A 71 107.250 6.929 6.267 1.00 0.00 H new ATOM 0 HB2 CYS A 71 106.483 9.145 7.233 1.00 0.00 H new ATOM 0 HB3 CYS A 71 108.169 9.625 7.257 1.00 0.00 H new ATOM 0 HG CYS A 71 106.958 10.780 4.987 1.00 0.00 H new ATOM 1136 N VAL A 72 109.638 6.104 6.236 1.00 0.00 N ATOM 1137 CA VAL A 72 110.992 5.686 5.870 1.00 0.00 C ATOM 1138 C VAL A 72 111.376 6.259 4.485 1.00 0.00 C ATOM 1139 O VAL A 72 112.505 6.115 4.000 1.00 0.00 O ATOM 1140 CB VAL A 72 111.079 4.121 5.908 1.00 0.00 C ATOM 1141 CG1 VAL A 72 112.444 3.597 5.522 1.00 0.00 C ATOM 1142 CG2 VAL A 72 110.736 3.635 7.294 1.00 0.00 C ATOM 0 H VAL A 72 108.954 5.349 6.185 1.00 0.00 H new ATOM 0 HA VAL A 72 111.711 6.082 6.588 1.00 0.00 H new ATOM 0 HB VAL A 72 110.368 3.743 5.174 1.00 0.00 H new ATOM 0 HG11 VAL A 72 112.442 2.508 5.567 1.00 0.00 H new ATOM 0 HG12 VAL A 72 112.683 3.918 4.508 1.00 0.00 H new ATOM 0 HG13 VAL A 72 113.192 3.987 6.212 1.00 0.00 H new ATOM 0 HG21 VAL A 72 110.796 2.547 7.323 1.00 0.00 H new ATOM 0 HG22 VAL A 72 111.440 4.056 8.012 1.00 0.00 H new ATOM 0 HG23 VAL A 72 109.724 3.950 7.550 1.00 0.00 H new ATOM 1152 N LEU A 73 110.433 6.943 3.889 1.00 0.00 N ATOM 1153 CA LEU A 73 110.607 7.570 2.632 1.00 0.00 C ATOM 1154 C LEU A 73 111.615 8.682 2.821 1.00 0.00 C ATOM 1155 O LEU A 73 111.331 9.703 3.467 1.00 0.00 O ATOM 1156 CB LEU A 73 109.229 8.107 2.240 1.00 0.00 C ATOM 1157 CG LEU A 73 109.009 8.566 0.816 1.00 0.00 C ATOM 1158 CD1 LEU A 73 109.407 7.474 -0.147 1.00 0.00 C ATOM 1159 CD2 LEU A 73 107.542 8.895 0.633 1.00 0.00 C ATOM 0 H LEU A 73 109.503 7.074 4.287 1.00 0.00 H new ATOM 0 HA LEU A 73 110.976 6.906 1.850 1.00 0.00 H new ATOM 0 HB2 LEU A 73 108.497 7.328 2.453 1.00 0.00 H new ATOM 0 HB3 LEU A 73 109.002 8.946 2.897 1.00 0.00 H new ATOM 0 HG LEU A 73 109.618 9.448 0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 73 109.245 7.814 -1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 73 110.461 7.232 -0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 73 108.803 6.586 0.040 1.00 0.00 H new ATOM 0 HD21 LEU A 73 107.369 9.228 -0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 73 106.942 8.007 0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 73 107.258 9.688 1.325 1.00 0.00 H new ATOM 1171 N GLY A 74 112.781 8.481 2.248 1.00 0.00 N ATOM 1172 CA GLY A 74 113.863 9.408 2.401 1.00 0.00 C ATOM 1173 C GLY A 74 114.460 9.390 3.802 1.00 0.00 C ATOM 1174 O GLY A 74 114.951 10.412 4.283 1.00 0.00 O ATOM 0 H GLY A 74 112.998 7.672 1.667 1.00 0.00 H new ATOM 0 HA2 GLY A 74 114.642 9.173 1.676 1.00 0.00 H new ATOM 0 HA3 GLY A 74 113.509 10.414 2.174 1.00 0.00 H new ATOM 1178 N HIS A 75 114.388 8.265 4.480 1.00 0.00 N ATOM 1179 CA HIS A 75 114.946 8.165 5.794 1.00 0.00 C ATOM 1180 C HIS A 75 116.443 8.078 5.703 1.00 0.00 C ATOM 1181 O HIS A 75 116.990 7.455 4.802 1.00 0.00 O ATOM 1182 CB HIS A 75 114.403 6.952 6.531 1.00 0.00 C ATOM 1183 CG HIS A 75 113.683 7.289 7.793 1.00 0.00 C ATOM 1184 ND1 HIS A 75 112.744 8.285 7.907 1.00 0.00 N ATOM 1185 CD2 HIS A 75 113.800 6.750 9.015 1.00 0.00 C ATOM 1186 CE1 HIS A 75 112.330 8.328 9.170 1.00 0.00 C ATOM 1187 NE2 HIS A 75 112.942 7.410 9.898 1.00 0.00 N ATOM 0 H HIS A 75 113.947 7.412 4.136 1.00 0.00 H new ATOM 0 HA HIS A 75 114.663 9.056 6.354 1.00 0.00 H new ATOM 0 HB2 HIS A 75 113.726 6.410 5.871 1.00 0.00 H new ATOM 0 HB3 HIS A 75 115.229 6.279 6.763 1.00 0.00 H new ATOM 0 HD2 HIS A 75 114.456 5.933 9.276 1.00 0.00 H new ATOM 0 HE1 HIS A 75 111.593 9.020 9.550 1.00 0.00 H new ATOM 0 HE2 HIS A 75 112.815 7.223 10.893 1.00 0.00 H new ATOM 1195 N THR A 76 117.087 8.733 6.614 1.00 0.00 N ATOM 1196 CA THR A 76 118.506 8.737 6.684 1.00 0.00 C ATOM 1197 C THR A 76 118.956 7.387 7.237 1.00 0.00 C ATOM 1198 O THR A 76 118.245 6.857 8.105 1.00 0.00 O ATOM 1199 CB THR A 76 118.891 9.859 7.658 1.00 0.00 C ATOM 1200 OG1 THR A 76 118.276 11.076 7.217 1.00 0.00 O ATOM 1201 CG2 THR A 76 120.391 10.050 7.780 1.00 0.00 C ATOM 0 H THR A 76 116.632 9.287 7.339 1.00 0.00 H new ATOM 0 HA THR A 76 118.971 8.897 5.711 1.00 0.00 H new ATOM 0 HB THR A 76 118.536 9.578 8.649 1.00 0.00 H new ATOM 0 HG1 THR A 76 118.512 11.803 7.831 1.00 0.00 H new ATOM 0 HG21 THR A 76 120.599 10.857 8.483 1.00 0.00 H new ATOM 0 HG22 THR A 76 120.847 9.128 8.141 1.00 0.00 H new ATOM 0 HG23 THR A 76 120.806 10.302 6.804 1.00 0.00 H new ATOM 1209 N HIS A 77 120.085 6.832 6.761 1.00 0.00 N ATOM 1210 CA HIS A 77 120.547 5.486 7.167 1.00 0.00 C ATOM 1211 C HIS A 77 120.509 5.314 8.642 1.00 0.00 C ATOM 1212 O HIS A 77 119.902 4.378 9.141 1.00 0.00 O ATOM 1213 CB HIS A 77 121.976 5.182 6.631 1.00 0.00 C ATOM 1214 CG HIS A 77 122.619 3.934 7.221 1.00 0.00 C ATOM 1215 ND1 HIS A 77 122.163 2.644 7.027 1.00 0.00 N ATOM 1216 CD2 HIS A 77 123.674 3.824 8.070 1.00 0.00 C ATOM 1217 CE1 HIS A 77 122.927 1.821 7.744 1.00 0.00 C ATOM 1218 NE2 HIS A 77 123.864 2.486 8.399 1.00 0.00 N ATOM 0 H HIS A 77 120.699 7.295 6.091 1.00 0.00 H new ATOM 0 HA HIS A 77 119.855 4.772 6.721 1.00 0.00 H new ATOM 0 HB2 HIS A 77 121.929 5.073 5.547 1.00 0.00 H new ATOM 0 HB3 HIS A 77 122.618 6.038 6.838 1.00 0.00 H new ATOM 0 HD2 HIS A 77 124.272 4.647 8.433 1.00 0.00 H new ATOM 0 HE1 HIS A 77 122.798 0.750 7.785 1.00 0.00 H new ATOM 0 HE2 HIS A 77 124.577 2.098 9.017 1.00 0.00 H new ATOM 1226 N ALA A 78 121.069 6.270 9.310 1.00 0.00 N ATOM 1227 CA ALA A 78 121.187 6.261 10.757 1.00 0.00 C ATOM 1228 C ALA A 78 119.827 6.142 11.414 1.00 0.00 C ATOM 1229 O ALA A 78 119.656 5.409 12.379 1.00 0.00 O ATOM 1230 CB ALA A 78 121.905 7.510 11.237 1.00 0.00 C ATOM 0 H ALA A 78 121.468 7.099 8.871 1.00 0.00 H new ATOM 0 HA ALA A 78 121.775 5.389 11.044 1.00 0.00 H new ATOM 0 HB1 ALA A 78 121.986 7.488 12.324 1.00 0.00 H new ATOM 0 HB2 ALA A 78 122.903 7.547 10.800 1.00 0.00 H new ATOM 0 HB3 ALA A 78 121.343 8.393 10.932 1.00 0.00 H new ATOM 1236 N GLN A 79 118.851 6.801 10.833 1.00 0.00 N ATOM 1237 CA GLN A 79 117.529 6.809 11.384 1.00 0.00 C ATOM 1238 C GLN A 79 116.828 5.494 11.130 1.00 0.00 C ATOM 1239 O GLN A 79 116.351 4.829 12.070 1.00 0.00 O ATOM 1240 CB GLN A 79 116.698 7.965 10.829 1.00 0.00 C ATOM 1241 CG GLN A 79 117.272 9.330 11.129 1.00 0.00 C ATOM 1242 CD GLN A 79 117.549 9.539 12.601 1.00 0.00 C ATOM 1243 OE1 GLN A 79 116.860 8.987 13.483 1.00 0.00 O ATOM 1244 NE2 GLN A 79 118.542 10.326 12.877 1.00 0.00 N ATOM 0 H GLN A 79 118.956 7.340 9.973 1.00 0.00 H new ATOM 0 HA GLN A 79 117.628 6.949 12.460 1.00 0.00 H new ATOM 0 HB2 GLN A 79 116.608 7.849 9.749 1.00 0.00 H new ATOM 0 HB3 GLN A 79 115.691 7.906 11.241 1.00 0.00 H new ATOM 0 HG2 GLN A 79 118.197 9.461 10.568 1.00 0.00 H new ATOM 0 HG3 GLN A 79 116.577 10.095 10.782 1.00 0.00 H new ATOM 0 HE21 GLN A 79 119.077 10.755 12.122 1.00 0.00 H new ATOM 0 HE22 GLN A 79 118.788 10.516 13.849 1.00 0.00 H new ATOM 1253 N VAL A 80 116.800 5.101 9.869 1.00 0.00 N ATOM 1254 CA VAL A 80 116.125 3.895 9.463 1.00 0.00 C ATOM 1255 C VAL A 80 116.738 2.654 10.127 1.00 0.00 C ATOM 1256 O VAL A 80 116.009 1.806 10.648 1.00 0.00 O ATOM 1257 CB VAL A 80 116.038 3.744 7.905 1.00 0.00 C ATOM 1258 CG1 VAL A 80 117.412 3.738 7.254 1.00 0.00 C ATOM 1259 CG2 VAL A 80 115.255 2.486 7.548 1.00 0.00 C ATOM 0 H VAL A 80 117.244 5.611 9.105 1.00 0.00 H new ATOM 0 HA VAL A 80 115.097 3.980 9.816 1.00 0.00 H new ATOM 0 HB VAL A 80 115.510 4.613 7.512 1.00 0.00 H new ATOM 0 HG11 VAL A 80 117.303 3.631 6.175 1.00 0.00 H new ATOM 0 HG12 VAL A 80 117.924 4.674 7.476 1.00 0.00 H new ATOM 0 HG13 VAL A 80 117.996 2.904 7.644 1.00 0.00 H new ATOM 0 HG21 VAL A 80 115.199 2.388 6.464 1.00 0.00 H new ATOM 0 HG22 VAL A 80 115.758 1.614 7.966 1.00 0.00 H new ATOM 0 HG23 VAL A 80 114.248 2.556 7.959 1.00 0.00 H new ATOM 1269 N VAL A 81 118.070 2.597 10.184 1.00 0.00 N ATOM 1270 CA VAL A 81 118.752 1.459 10.780 1.00 0.00 C ATOM 1271 C VAL A 81 118.401 1.338 12.240 1.00 0.00 C ATOM 1272 O VAL A 81 118.019 0.280 12.689 1.00 0.00 O ATOM 1273 CB VAL A 81 120.324 1.438 10.564 1.00 0.00 C ATOM 1274 CG1 VAL A 81 121.062 2.544 11.315 1.00 0.00 C ATOM 1275 CG2 VAL A 81 120.905 0.079 10.915 1.00 0.00 C ATOM 0 H VAL A 81 118.690 3.323 9.826 1.00 0.00 H new ATOM 0 HA VAL A 81 118.385 0.584 10.243 1.00 0.00 H new ATOM 0 HB VAL A 81 120.478 1.632 9.503 1.00 0.00 H new ATOM 0 HG11 VAL A 81 122.131 2.466 11.119 1.00 0.00 H new ATOM 0 HG12 VAL A 81 120.702 3.516 10.978 1.00 0.00 H new ATOM 0 HG13 VAL A 81 120.881 2.441 12.385 1.00 0.00 H new ATOM 0 HG21 VAL A 81 121.984 0.093 10.758 1.00 0.00 H new ATOM 0 HG22 VAL A 81 120.693 -0.148 11.960 1.00 0.00 H new ATOM 0 HG23 VAL A 81 120.455 -0.684 10.280 1.00 0.00 H new ATOM 1285 N LYS A 82 118.430 2.462 12.937 1.00 0.00 N ATOM 1286 CA LYS A 82 118.168 2.534 14.354 1.00 0.00 C ATOM 1287 C LYS A 82 116.798 1.974 14.729 1.00 0.00 C ATOM 1288 O LYS A 82 116.675 1.233 15.708 1.00 0.00 O ATOM 1289 CB LYS A 82 118.385 3.988 14.813 1.00 0.00 C ATOM 1290 CG LYS A 82 117.927 4.380 16.230 1.00 0.00 C ATOM 1291 CD LYS A 82 116.455 4.829 16.281 1.00 0.00 C ATOM 1292 CE LYS A 82 116.201 6.092 15.434 1.00 0.00 C ATOM 1293 NZ LYS A 82 116.992 7.261 15.898 1.00 0.00 N ATOM 0 H LYS A 82 118.642 3.367 12.518 1.00 0.00 H new ATOM 0 HA LYS A 82 118.868 1.892 14.888 1.00 0.00 H new ATOM 0 HB2 LYS A 82 119.450 4.206 14.735 1.00 0.00 H new ATOM 0 HB3 LYS A 82 117.873 4.640 14.105 1.00 0.00 H new ATOM 0 HG2 LYS A 82 118.066 3.531 16.899 1.00 0.00 H new ATOM 0 HG3 LYS A 82 118.560 5.186 16.601 1.00 0.00 H new ATOM 0 HD2 LYS A 82 115.818 4.020 15.924 1.00 0.00 H new ATOM 0 HD3 LYS A 82 116.172 5.025 17.315 1.00 0.00 H new ATOM 0 HE2 LYS A 82 116.447 5.882 14.393 1.00 0.00 H new ATOM 0 HE3 LYS A 82 115.140 6.340 15.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 116.889 8.041 15.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 116.646 7.566 16.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 117.995 6.995 15.971 1.00 0.00 H new ATOM 1307 N ILE A 83 115.793 2.278 13.937 1.00 0.00 N ATOM 1308 CA ILE A 83 114.447 1.829 14.244 1.00 0.00 C ATOM 1309 C ILE A 83 114.355 0.339 13.984 1.00 0.00 C ATOM 1310 O ILE A 83 113.993 -0.464 14.860 1.00 0.00 O ATOM 1311 CB ILE A 83 113.399 2.596 13.398 1.00 0.00 C ATOM 1312 CG1 ILE A 83 113.477 4.094 13.723 1.00 0.00 C ATOM 1313 CG2 ILE A 83 111.988 2.055 13.649 1.00 0.00 C ATOM 1314 CD1 ILE A 83 112.553 4.959 12.901 1.00 0.00 C ATOM 0 H ILE A 83 115.877 2.829 13.083 1.00 0.00 H new ATOM 0 HA ILE A 83 114.232 2.031 15.293 1.00 0.00 H new ATOM 0 HB ILE A 83 113.622 2.449 12.341 1.00 0.00 H new ATOM 0 HG12 ILE A 83 113.246 4.237 14.779 1.00 0.00 H new ATOM 0 HG13 ILE A 83 114.502 4.433 13.573 1.00 0.00 H new ATOM 0 HG21 ILE A 83 111.272 2.611 13.043 1.00 0.00 H new ATOM 0 HG22 ILE A 83 111.950 1.000 13.379 1.00 0.00 H new ATOM 0 HG23 ILE A 83 111.737 2.169 14.703 1.00 0.00 H new ATOM 0 HD11 ILE A 83 112.673 6.002 13.195 1.00 0.00 H new ATOM 0 HD12 ILE A 83 112.797 4.850 11.844 1.00 0.00 H new ATOM 0 HD13 ILE A 83 111.521 4.651 13.069 1.00 0.00 H new ATOM 1326 N PHE A 84 114.802 -0.013 12.815 1.00 0.00 N ATOM 1327 CA PHE A 84 114.753 -1.350 12.306 1.00 0.00 C ATOM 1328 C PHE A 84 115.584 -2.356 13.137 1.00 0.00 C ATOM 1329 O PHE A 84 115.269 -3.545 13.179 1.00 0.00 O ATOM 1330 CB PHE A 84 115.137 -1.324 10.826 1.00 0.00 C ATOM 1331 CG PHE A 84 114.015 -0.870 9.891 1.00 0.00 C ATOM 1332 CD1 PHE A 84 113.348 0.333 10.089 1.00 0.00 C ATOM 1333 CD2 PHE A 84 113.643 -1.649 8.811 1.00 0.00 C ATOM 1334 CE1 PHE A 84 112.341 0.739 9.236 1.00 0.00 C ATOM 1335 CE2 PHE A 84 112.634 -1.249 7.953 1.00 0.00 C ATOM 1336 CZ PHE A 84 111.983 -0.053 8.166 1.00 0.00 C ATOM 0 H PHE A 84 115.227 0.649 12.166 1.00 0.00 H new ATOM 0 HA PHE A 84 113.733 -1.723 12.399 1.00 0.00 H new ATOM 0 HB2 PHE A 84 115.992 -0.661 10.696 1.00 0.00 H new ATOM 0 HB3 PHE A 84 115.460 -2.322 10.529 1.00 0.00 H new ATOM 0 HD1 PHE A 84 113.622 0.961 10.924 1.00 0.00 H new ATOM 0 HD2 PHE A 84 114.149 -2.587 8.634 1.00 0.00 H new ATOM 0 HE1 PHE A 84 111.834 1.677 9.407 1.00 0.00 H new ATOM 0 HE2 PHE A 84 112.357 -1.874 7.117 1.00 0.00 H new ATOM 0 HZ PHE A 84 111.196 0.262 7.497 1.00 0.00 H new ATOM 1346 N GLN A 85 116.645 -1.886 13.774 1.00 0.00 N ATOM 1347 CA GLN A 85 117.432 -2.738 14.668 1.00 0.00 C ATOM 1348 C GLN A 85 116.879 -2.762 16.094 1.00 0.00 C ATOM 1349 O GLN A 85 117.118 -3.711 16.835 1.00 0.00 O ATOM 1350 CB GLN A 85 118.915 -2.358 14.669 1.00 0.00 C ATOM 1351 CG GLN A 85 119.206 -0.934 15.092 1.00 0.00 C ATOM 1352 CD GLN A 85 120.661 -0.546 14.940 1.00 0.00 C ATOM 1353 OE1 GLN A 85 121.340 -1.133 13.980 1.00 0.00 O flip ATOM 1354 NE2 GLN A 85 121.166 0.293 15.680 1.00 0.00 N flip ATOM 0 H GLN A 85 116.984 -0.927 13.693 1.00 0.00 H new ATOM 0 HA GLN A 85 117.345 -3.748 14.268 1.00 0.00 H new ATOM 0 HB2 GLN A 85 119.449 -3.036 15.335 1.00 0.00 H new ATOM 0 HB3 GLN A 85 119.316 -2.514 13.667 1.00 0.00 H new ATOM 0 HG2 GLN A 85 118.593 -0.255 14.500 1.00 0.00 H new ATOM 0 HG3 GLN A 85 118.910 -0.805 16.133 1.00 0.00 H new ATOM 0 HE21 GLN A 85 120.607 0.727 16.415 1.00 0.00 H new ATOM 0 HE22 GLN A 85 122.144 0.556 15.560 1.00 0.00 H new ATOM 1363 N SER A 86 116.147 -1.726 16.482 1.00 0.00 N ATOM 1364 CA SER A 86 115.622 -1.658 17.843 1.00 0.00 C ATOM 1365 C SER A 86 114.203 -2.243 17.926 1.00 0.00 C ATOM 1366 O SER A 86 113.541 -2.185 18.966 1.00 0.00 O ATOM 1367 CB SER A 86 115.675 -0.222 18.352 1.00 0.00 C ATOM 1368 OG SER A 86 117.010 0.291 18.226 1.00 0.00 O ATOM 0 H SER A 86 115.905 -0.933 15.887 1.00 0.00 H new ATOM 0 HA SER A 86 116.251 -2.270 18.490 1.00 0.00 H new ATOM 0 HB2 SER A 86 114.982 0.400 17.785 1.00 0.00 H new ATOM 0 HB3 SER A 86 115.358 -0.184 19.394 1.00 0.00 H new ATOM 0 HG SER A 86 117.132 0.670 17.331 1.00 0.00 H new ATOM 1374 N ILE A 87 113.748 -2.741 16.803 1.00 0.00 N ATOM 1375 CA ILE A 87 112.510 -3.471 16.663 1.00 0.00 C ATOM 1376 C ILE A 87 112.356 -4.639 17.681 1.00 0.00 C ATOM 1377 O ILE A 87 113.334 -5.303 18.036 1.00 0.00 O ATOM 1378 CB ILE A 87 112.425 -4.005 15.213 1.00 0.00 C ATOM 1379 CG1 ILE A 87 111.987 -2.903 14.271 1.00 0.00 C ATOM 1380 CG2 ILE A 87 111.574 -5.232 15.056 1.00 0.00 C ATOM 1381 CD1 ILE A 87 111.563 -3.408 12.929 1.00 0.00 C ATOM 0 H ILE A 87 114.252 -2.645 15.922 1.00 0.00 H new ATOM 0 HA ILE A 87 111.691 -2.785 16.880 1.00 0.00 H new ATOM 0 HB ILE A 87 113.432 -4.326 14.948 1.00 0.00 H new ATOM 0 HG12 ILE A 87 111.161 -2.355 14.723 1.00 0.00 H new ATOM 0 HG13 ILE A 87 112.807 -2.196 14.143 1.00 0.00 H new ATOM 0 HG21 ILE A 87 111.568 -5.540 14.010 1.00 0.00 H new ATOM 0 HG22 ILE A 87 111.980 -6.037 15.669 1.00 0.00 H new ATOM 0 HG23 ILE A 87 110.555 -5.011 15.375 1.00 0.00 H new ATOM 0 HD11 ILE A 87 111.262 -2.568 12.303 1.00 0.00 H new ATOM 0 HD12 ILE A 87 112.395 -3.932 12.458 1.00 0.00 H new ATOM 0 HD13 ILE A 87 110.723 -4.093 13.047 1.00 0.00 H new ATOM 1393 N PRO A 88 111.109 -4.883 18.164 1.00 0.00 N ATOM 1394 CA PRO A 88 110.798 -5.979 19.056 1.00 0.00 C ATOM 1395 C PRO A 88 110.342 -7.216 18.271 1.00 0.00 C ATOM 1396 O PRO A 88 109.628 -7.115 17.269 1.00 0.00 O ATOM 1397 CB PRO A 88 109.635 -5.430 19.887 1.00 0.00 C ATOM 1398 CG PRO A 88 109.036 -4.307 19.081 1.00 0.00 C ATOM 1399 CD PRO A 88 109.898 -4.121 17.856 1.00 0.00 C ATOM 0 HA PRO A 88 111.655 -6.294 19.652 1.00 0.00 H new ATOM 0 HB2 PRO A 88 108.895 -6.207 20.082 1.00 0.00 H new ATOM 0 HB3 PRO A 88 109.984 -5.071 20.855 1.00 0.00 H new ATOM 0 HG2 PRO A 88 108.011 -4.543 18.797 1.00 0.00 H new ATOM 0 HG3 PRO A 88 109.001 -3.389 19.668 1.00 0.00 H new ATOM 0 HD2 PRO A 88 109.406 -4.497 16.959 1.00 0.00 H new ATOM 0 HD3 PRO A 88 110.121 -3.069 17.680 1.00 0.00 H new ATOM 1407 N ILE A 89 110.775 -8.356 18.713 1.00 0.00 N ATOM 1408 CA ILE A 89 110.459 -9.621 18.075 1.00 0.00 C ATOM 1409 C ILE A 89 108.964 -9.916 18.264 1.00 0.00 C ATOM 1410 O ILE A 89 108.428 -9.699 19.355 1.00 0.00 O ATOM 1411 CB ILE A 89 111.244 -10.774 18.750 1.00 0.00 C ATOM 1412 CG1 ILE A 89 112.716 -10.409 18.930 1.00 0.00 C ATOM 1413 CG2 ILE A 89 111.113 -12.054 17.945 1.00 0.00 C ATOM 1414 CD1 ILE A 89 113.503 -11.401 19.739 1.00 0.00 C ATOM 0 H ILE A 89 111.367 -8.448 19.538 1.00 0.00 H new ATOM 0 HA ILE A 89 110.723 -9.553 17.020 1.00 0.00 H new ATOM 0 HB ILE A 89 110.812 -10.937 19.737 1.00 0.00 H new ATOM 0 HG12 ILE A 89 113.177 -10.311 17.947 1.00 0.00 H new ATOM 0 HG13 ILE A 89 112.780 -9.433 19.411 1.00 0.00 H new ATOM 0 HG21 ILE A 89 111.671 -12.851 18.436 1.00 0.00 H new ATOM 0 HG22 ILE A 89 110.062 -12.335 17.877 1.00 0.00 H new ATOM 0 HG23 ILE A 89 111.511 -11.896 16.943 1.00 0.00 H new ATOM 0 HD11 ILE A 89 114.537 -11.067 19.819 1.00 0.00 H new ATOM 0 HD12 ILE A 89 113.070 -11.482 20.736 1.00 0.00 H new ATOM 0 HD13 ILE A 89 113.473 -12.375 19.250 1.00 0.00 H new ATOM 1426 N GLY A 90 108.308 -10.415 17.243 1.00 0.00 N ATOM 1427 CA GLY A 90 106.920 -10.755 17.383 1.00 0.00 C ATOM 1428 C GLY A 90 106.026 -9.599 17.050 1.00 0.00 C ATOM 1429 O GLY A 90 104.836 -9.614 17.364 1.00 0.00 O ATOM 0 H GLY A 90 108.709 -10.591 16.322 1.00 0.00 H new ATOM 0 HA2 GLY A 90 106.684 -11.596 16.731 1.00 0.00 H new ATOM 0 HA3 GLY A 90 106.727 -11.081 18.405 1.00 0.00 H new ATOM 1433 N ALA A 91 106.582 -8.584 16.460 1.00 0.00 N ATOM 1434 CA ALA A 91 105.806 -7.363 16.222 1.00 0.00 C ATOM 1435 C ALA A 91 105.337 -7.294 14.754 1.00 0.00 C ATOM 1436 O ALA A 91 105.482 -8.247 14.015 1.00 0.00 O ATOM 1437 CB ALA A 91 106.590 -6.121 16.680 1.00 0.00 C ATOM 0 H ALA A 91 107.548 -8.556 16.134 1.00 0.00 H new ATOM 0 HA ALA A 91 104.900 -7.387 16.828 1.00 0.00 H new ATOM 0 HB1 ALA A 91 105.996 -5.226 16.494 1.00 0.00 H new ATOM 0 HB2 ALA A 91 106.805 -6.199 17.746 1.00 0.00 H new ATOM 0 HB3 ALA A 91 107.526 -6.056 16.125 1.00 0.00 H new ATOM 1443 N SER A 92 104.782 -6.187 14.348 1.00 0.00 N ATOM 1444 CA SER A 92 104.141 -6.069 13.043 1.00 0.00 C ATOM 1445 C SER A 92 104.248 -4.674 12.480 1.00 0.00 C ATOM 1446 O SER A 92 104.228 -3.696 13.213 1.00 0.00 O ATOM 1447 CB SER A 92 102.674 -6.483 13.169 1.00 0.00 C ATOM 1448 OG SER A 92 101.942 -6.223 11.991 1.00 0.00 O ATOM 0 H SER A 92 104.755 -5.332 14.904 1.00 0.00 H new ATOM 0 HA SER A 92 104.658 -6.730 12.347 1.00 0.00 H new ATOM 0 HB2 SER A 92 102.617 -7.546 13.402 1.00 0.00 H new ATOM 0 HB3 SER A 92 102.218 -5.949 14.003 1.00 0.00 H new ATOM 0 HG SER A 92 101.008 -6.489 12.121 1.00 0.00 H new ATOM 1454 N VAL A 93 104.396 -4.609 11.186 1.00 0.00 N ATOM 1455 CA VAL A 93 104.383 -3.382 10.429 1.00 0.00 C ATOM 1456 C VAL A 93 103.932 -3.639 9.047 1.00 0.00 C ATOM 1457 O VAL A 93 104.084 -4.730 8.522 1.00 0.00 O ATOM 1458 CB VAL A 93 105.720 -2.629 10.357 1.00 0.00 C ATOM 1459 CG1 VAL A 93 105.944 -1.677 11.517 1.00 0.00 C ATOM 1460 CG2 VAL A 93 106.882 -3.565 10.163 1.00 0.00 C ATOM 0 H VAL A 93 104.534 -5.437 10.606 1.00 0.00 H new ATOM 0 HA VAL A 93 103.694 -2.740 10.979 1.00 0.00 H new ATOM 0 HB VAL A 93 105.656 -1.999 9.470 1.00 0.00 H new ATOM 0 HG11 VAL A 93 106.907 -1.181 11.400 1.00 0.00 H new ATOM 0 HG12 VAL A 93 105.150 -0.930 11.533 1.00 0.00 H new ATOM 0 HG13 VAL A 93 105.935 -2.236 12.453 1.00 0.00 H new ATOM 0 HG21 VAL A 93 107.808 -2.991 10.117 1.00 0.00 H new ATOM 0 HG22 VAL A 93 106.929 -4.264 10.998 1.00 0.00 H new ATOM 0 HG23 VAL A 93 106.752 -4.118 9.233 1.00 0.00 H new ATOM 1470 N ASP A 94 103.404 -2.632 8.482 1.00 0.00 N ATOM 1471 CA ASP A 94 102.885 -2.626 7.169 1.00 0.00 C ATOM 1472 C ASP A 94 103.939 -2.007 6.315 1.00 0.00 C ATOM 1473 O ASP A 94 104.187 -0.820 6.410 1.00 0.00 O ATOM 1474 CB ASP A 94 101.646 -1.746 7.161 1.00 0.00 C ATOM 1475 CG ASP A 94 100.532 -2.243 8.062 1.00 0.00 C ATOM 1476 OD1 ASP A 94 100.594 -1.998 9.288 1.00 0.00 O ATOM 1477 OD2 ASP A 94 99.572 -2.868 7.573 1.00 0.00 O ATOM 0 H ASP A 94 103.314 -1.730 8.949 1.00 0.00 H new ATOM 0 HA ASP A 94 102.624 -3.623 6.814 1.00 0.00 H new ATOM 0 HB2 ASP A 94 101.926 -0.739 7.469 1.00 0.00 H new ATOM 0 HB3 ASP A 94 101.270 -1.675 6.140 1.00 0.00 H new ATOM 1482 N LEU A 95 104.573 -2.782 5.536 1.00 0.00 N ATOM 1483 CA LEU A 95 105.682 -2.331 4.765 1.00 0.00 C ATOM 1484 C LEU A 95 105.245 -2.042 3.337 1.00 0.00 C ATOM 1485 O LEU A 95 104.823 -2.948 2.608 1.00 0.00 O ATOM 1486 CB LEU A 95 106.731 -3.425 4.773 1.00 0.00 C ATOM 1487 CG LEU A 95 108.148 -3.006 4.481 1.00 0.00 C ATOM 1488 CD1 LEU A 95 108.651 -2.143 5.616 1.00 0.00 C ATOM 1489 CD2 LEU A 95 109.006 -4.223 4.340 1.00 0.00 C ATOM 0 H LEU A 95 104.343 -3.767 5.404 1.00 0.00 H new ATOM 0 HA LEU A 95 106.087 -1.412 5.190 1.00 0.00 H new ATOM 0 HB2 LEU A 95 106.713 -3.906 5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 95 106.442 -4.179 4.041 1.00 0.00 H new ATOM 0 HG LEU A 95 108.186 -2.437 3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 95 109.677 -1.835 5.412 1.00 0.00 H new ATOM 0 HD12 LEU A 95 108.019 -1.260 5.709 1.00 0.00 H new ATOM 0 HD13 LEU A 95 108.620 -2.711 6.546 1.00 0.00 H new ATOM 0 HD21 LEU A 95 110.032 -3.922 4.129 1.00 0.00 H new ATOM 0 HD22 LEU A 95 108.979 -4.796 5.267 1.00 0.00 H new ATOM 0 HD23 LEU A 95 108.633 -4.839 3.522 1.00 0.00 H new ATOM 1501 N GLU A 96 105.323 -0.802 2.940 1.00 0.00 N ATOM 1502 CA GLU A 96 104.990 -0.452 1.593 1.00 0.00 C ATOM 1503 C GLU A 96 106.245 -0.216 0.793 1.00 0.00 C ATOM 1504 O GLU A 96 107.125 0.592 1.169 1.00 0.00 O ATOM 1505 CB GLU A 96 103.972 0.692 1.502 1.00 0.00 C ATOM 1506 CG GLU A 96 104.349 1.977 2.206 1.00 0.00 C ATOM 1507 CD GLU A 96 103.260 3.014 2.097 1.00 0.00 C ATOM 1508 OE1 GLU A 96 102.156 2.781 2.638 1.00 0.00 O ATOM 1509 OE2 GLU A 96 103.472 4.065 1.459 1.00 0.00 O ATOM 0 H GLU A 96 105.613 -0.022 3.529 1.00 0.00 H new ATOM 0 HA GLU A 96 104.473 -1.298 1.141 1.00 0.00 H new ATOM 0 HB2 GLU A 96 103.800 0.915 0.449 1.00 0.00 H new ATOM 0 HB3 GLU A 96 103.025 0.342 1.912 1.00 0.00 H new ATOM 0 HG2 GLU A 96 104.550 1.770 3.257 1.00 0.00 H new ATOM 0 HG3 GLU A 96 105.270 2.370 1.776 1.00 0.00 H new ATOM 1516 N LEU A 97 106.350 -0.943 -0.271 1.00 0.00 N ATOM 1517 CA LEU A 97 107.529 -0.965 -1.072 1.00 0.00 C ATOM 1518 C LEU A 97 107.151 -1.038 -2.533 1.00 0.00 C ATOM 1519 O LEU A 97 105.990 -1.334 -2.869 1.00 0.00 O ATOM 1520 CB LEU A 97 108.472 -2.136 -0.633 1.00 0.00 C ATOM 1521 CG LEU A 97 108.068 -3.634 -0.876 1.00 0.00 C ATOM 1522 CD1 LEU A 97 109.041 -4.512 -0.137 1.00 0.00 C ATOM 1523 CD2 LEU A 97 106.662 -3.961 -0.398 1.00 0.00 C ATOM 0 H LEU A 97 105.605 -1.549 -0.614 1.00 0.00 H new ATOM 0 HA LEU A 97 108.091 -0.043 -0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 97 109.429 -1.979 -1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 97 108.646 -2.022 0.437 1.00 0.00 H new ATOM 0 HG LEU A 97 108.091 -3.808 -1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 97 108.778 -5.558 -0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 97 110.049 -4.332 -0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 97 109.002 -4.283 0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 97 106.446 -5.011 -0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 97 106.588 -3.770 0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 97 105.943 -3.337 -0.928 1.00 0.00 H new ATOM 1535 N CYS A 98 108.075 -0.732 -3.387 1.00 0.00 N ATOM 1536 CA CYS A 98 107.807 -0.737 -4.786 1.00 0.00 C ATOM 1537 C CYS A 98 108.665 -1.787 -5.465 1.00 0.00 C ATOM 1538 O CYS A 98 109.893 -1.820 -5.289 1.00 0.00 O ATOM 1539 CB CYS A 98 108.045 0.652 -5.377 1.00 0.00 C ATOM 1540 SG CYS A 98 107.395 0.886 -7.044 1.00 0.00 S ATOM 0 H CYS A 98 109.029 -0.474 -3.135 1.00 0.00 H new ATOM 0 HA CYS A 98 106.761 -0.990 -4.956 1.00 0.00 H new ATOM 0 HB2 CYS A 98 107.593 1.394 -4.719 1.00 0.00 H new ATOM 0 HB3 CYS A 98 109.117 0.847 -5.389 1.00 0.00 H new ATOM 0 HG CYS A 98 108.329 0.635 -7.913 1.00 0.00 H new ATOM 1546 N ARG A 99 108.022 -2.622 -6.229 1.00 0.00 N ATOM 1547 CA ARG A 99 108.643 -3.720 -6.909 1.00 0.00 C ATOM 1548 C ARG A 99 108.795 -3.352 -8.376 1.00 0.00 C ATOM 1549 O ARG A 99 108.008 -2.570 -8.906 1.00 0.00 O ATOM 1550 CB ARG A 99 107.733 -4.942 -6.779 1.00 0.00 C ATOM 1551 CG ARG A 99 108.238 -6.221 -7.413 1.00 0.00 C ATOM 1552 CD ARG A 99 109.345 -6.841 -6.604 1.00 0.00 C ATOM 1553 NE ARG A 99 108.895 -7.075 -5.273 1.00 0.00 N ATOM 1554 CZ ARG A 99 108.256 -8.113 -4.803 1.00 0.00 C ATOM 1555 NH1 ARG A 99 108.083 -9.203 -5.528 1.00 0.00 N ATOM 1556 NH2 ARG A 99 107.849 -8.064 -3.567 1.00 0.00 N ATOM 0 H ARG A 99 107.019 -2.555 -6.401 1.00 0.00 H new ATOM 0 HA ARG A 99 109.621 -3.940 -6.482 1.00 0.00 H new ATOM 0 HB2 ARG A 99 107.560 -5.130 -5.719 1.00 0.00 H new ATOM 0 HB3 ARG A 99 106.767 -4.699 -7.221 1.00 0.00 H new ATOM 0 HG2 ARG A 99 107.415 -6.930 -7.508 1.00 0.00 H new ATOM 0 HG3 ARG A 99 108.597 -6.011 -8.421 1.00 0.00 H new ATOM 0 HD2 ARG A 99 109.661 -7.779 -7.061 1.00 0.00 H new ATOM 0 HD3 ARG A 99 110.214 -6.183 -6.594 1.00 0.00 H new ATOM 0 HE ARG A 99 109.098 -6.336 -4.600 1.00 0.00 H new ATOM 0 HH11 ARG A 99 108.452 -9.248 -6.478 1.00 0.00 H new ATOM 0 HH12 ARG A 99 107.580 -10.000 -5.138 1.00 0.00 H new ATOM 0 HH21 ARG A 99 108.033 -7.235 -3.002 1.00 0.00 H new ATOM 0 HH22 ARG A 99 107.346 -8.855 -3.164 1.00 0.00 H new ATOM 1570 N GLY A 100 109.772 -3.914 -9.025 1.00 0.00 N ATOM 1571 CA GLY A 100 109.995 -3.634 -10.416 1.00 0.00 C ATOM 1572 C GLY A 100 111.445 -3.447 -10.657 1.00 0.00 C ATOM 1573 O GLY A 100 111.999 -3.938 -11.637 1.00 0.00 O ATOM 0 H GLY A 100 110.432 -4.573 -8.612 1.00 0.00 H new ATOM 0 HA2 GLY A 100 109.617 -4.453 -11.028 1.00 0.00 H new ATOM 0 HA3 GLY A 100 109.448 -2.738 -10.710 1.00 0.00 H new ATOM 1577 N TYR A 101 112.054 -2.731 -9.763 1.00 0.00 N ATOM 1578 CA TYR A 101 113.479 -2.520 -9.757 1.00 0.00 C ATOM 1579 C TYR A 101 114.187 -3.843 -9.441 1.00 0.00 C ATOM 1580 O TYR A 101 113.713 -4.626 -8.609 1.00 0.00 O ATOM 1581 CB TYR A 101 113.850 -1.487 -8.683 1.00 0.00 C ATOM 1582 CG TYR A 101 113.237 -0.117 -8.878 1.00 0.00 C ATOM 1583 CD1 TYR A 101 111.948 0.161 -8.439 1.00 0.00 C ATOM 1584 CD2 TYR A 101 113.952 0.900 -9.486 1.00 0.00 C ATOM 1585 CE1 TYR A 101 111.392 1.407 -8.602 1.00 0.00 C ATOM 1586 CE2 TYR A 101 113.400 2.154 -9.653 1.00 0.00 C ATOM 1587 CZ TYR A 101 112.121 2.400 -9.206 1.00 0.00 C ATOM 1588 OH TYR A 101 111.556 3.640 -9.387 1.00 0.00 O ATOM 0 H TYR A 101 111.568 -2.264 -8.997 1.00 0.00 H new ATOM 0 HA TYR A 101 113.790 -2.154 -10.736 1.00 0.00 H new ATOM 0 HB2 TYR A 101 113.544 -1.871 -7.710 1.00 0.00 H new ATOM 0 HB3 TYR A 101 114.935 -1.384 -8.658 1.00 0.00 H new ATOM 0 HD1 TYR A 101 111.372 -0.617 -7.960 1.00 0.00 H new ATOM 0 HD2 TYR A 101 114.956 0.710 -9.835 1.00 0.00 H new ATOM 0 HE1 TYR A 101 110.388 1.603 -8.257 1.00 0.00 H new ATOM 0 HE2 TYR A 101 113.968 2.938 -10.132 1.00 0.00 H new ATOM 0 HH TYR A 101 112.201 4.232 -9.828 1.00 0.00 H new ATOM 2091 N GLU B 158 124.394 -0.077 3.320 1.00 0.00 N ATOM 2092 CA GLU B 158 123.727 -1.299 3.568 1.00 0.00 C ATOM 2093 C GLU B 158 123.173 -1.320 4.973 1.00 0.00 C ATOM 2094 O GLU B 158 123.909 -1.218 5.969 1.00 0.00 O ATOM 2095 CB GLU B 158 124.602 -2.540 3.292 1.00 0.00 C ATOM 2096 CG GLU B 158 125.984 -2.541 3.945 1.00 0.00 C ATOM 2097 CD GLU B 158 126.999 -1.726 3.197 1.00 0.00 C ATOM 2098 OE1 GLU B 158 126.995 -0.498 3.293 1.00 0.00 O ATOM 2099 OE2 GLU B 158 127.819 -2.315 2.474 1.00 0.00 O ATOM 0 HA GLU B 158 122.901 -1.356 2.860 1.00 0.00 H new ATOM 0 HB2 GLU B 158 124.061 -3.424 3.630 1.00 0.00 H new ATOM 0 HB3 GLU B 158 124.731 -2.637 2.214 1.00 0.00 H new ATOM 0 HG2 GLU B 158 125.898 -2.156 4.961 1.00 0.00 H new ATOM 0 HG3 GLU B 158 126.340 -3.568 4.023 1.00 0.00 H new ATOM 2106 N THR B 159 121.900 -1.394 5.045 1.00 0.00 N ATOM 2107 CA THR B 159 121.210 -1.457 6.271 1.00 0.00 C ATOM 2108 C THR B 159 120.740 -2.892 6.434 1.00 0.00 C ATOM 2109 O THR B 159 119.919 -3.382 5.655 1.00 0.00 O ATOM 2110 CB THR B 159 120.013 -0.480 6.251 1.00 0.00 C ATOM 2111 OG1 THR B 159 120.474 0.810 5.787 1.00 0.00 O ATOM 2112 CG2 THR B 159 119.396 -0.329 7.643 1.00 0.00 C ATOM 0 H THR B 159 121.291 -1.413 4.227 1.00 0.00 H new ATOM 0 HA THR B 159 121.849 -1.169 7.106 1.00 0.00 H new ATOM 0 HB THR B 159 119.248 -0.877 5.584 1.00 0.00 H new ATOM 0 HG1 THR B 159 120.797 1.335 6.549 1.00 0.00 H new ATOM 0 HG21 THR B 159 118.557 0.365 7.596 1.00 0.00 H new ATOM 0 HG22 THR B 159 119.045 -1.300 7.993 1.00 0.00 H new ATOM 0 HG23 THR B 159 120.146 0.056 8.334 1.00 0.00 H new ATOM 2120 N GLN B 160 121.326 -3.583 7.358 1.00 0.00 N ATOM 2121 CA GLN B 160 120.979 -4.957 7.598 1.00 0.00 C ATOM 2122 C GLN B 160 119.795 -5.009 8.524 1.00 0.00 C ATOM 2123 O GLN B 160 119.933 -4.760 9.716 1.00 0.00 O ATOM 2124 CB GLN B 160 122.155 -5.757 8.194 1.00 0.00 C ATOM 2125 CG GLN B 160 123.320 -6.071 7.238 1.00 0.00 C ATOM 2126 CD GLN B 160 124.132 -4.889 6.746 1.00 0.00 C ATOM 2127 OE1 GLN B 160 124.640 -4.912 5.642 1.00 0.00 O ATOM 2128 NE2 GLN B 160 124.327 -3.898 7.564 1.00 0.00 N ATOM 0 H GLN B 160 122.057 -3.218 7.969 1.00 0.00 H new ATOM 0 HA GLN B 160 120.731 -5.418 6.642 1.00 0.00 H new ATOM 0 HB2 GLN B 160 122.550 -5.202 9.044 1.00 0.00 H new ATOM 0 HB3 GLN B 160 121.767 -6.699 8.581 1.00 0.00 H new ATOM 0 HG2 GLN B 160 123.996 -6.763 7.740 1.00 0.00 H new ATOM 0 HG3 GLN B 160 122.917 -6.593 6.370 1.00 0.00 H new ATOM 0 HE21 GLN B 160 123.889 -3.903 8.485 1.00 0.00 H new ATOM 0 HE22 GLN B 160 124.918 -3.115 7.285 1.00 0.00 H new ATOM 2137 N VAL B 161 118.642 -5.298 7.993 1.00 0.00 N ATOM 2138 CA VAL B 161 117.466 -5.316 8.803 1.00 0.00 C ATOM 2139 C VAL B 161 117.042 -6.741 9.039 1.00 0.00 C ATOM 2140 O VAL B 161 116.584 -7.077 10.145 1.00 0.00 O ATOM 2141 CB VAL B 161 116.285 -4.458 8.245 1.00 0.00 C ATOM 2142 CG1 VAL B 161 116.717 -3.059 7.957 1.00 0.00 C ATOM 2143 CG2 VAL B 161 115.673 -5.033 7.009 1.00 0.00 C ATOM 2144 OXT VAL B 161 117.243 -7.566 8.146 1.00 0.00 O ATOM 0 H VAL B 161 118.495 -5.523 7.009 1.00 0.00 H new ATOM 0 HA VAL B 161 117.729 -4.842 9.748 1.00 0.00 H new ATOM 0 HB VAL B 161 115.531 -4.462 9.032 1.00 0.00 H new ATOM 0 HG11 VAL B 161 115.872 -2.490 7.570 1.00 0.00 H new ATOM 0 HG12 VAL B 161 117.079 -2.594 8.874 1.00 0.00 H new ATOM 0 HG13 VAL B 161 117.516 -3.070 7.216 1.00 0.00 H new ATOM 0 HG21 VAL B 161 114.859 -4.390 6.673 1.00 0.00 H new ATOM 0 HG22 VAL B 161 116.429 -5.101 6.227 1.00 0.00 H new ATOM 0 HG23 VAL B 161 115.284 -6.028 7.225 1.00 0.00 H new