USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=27 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= 0.468 K(o=0.99,f=-1.5) USER MOD Set 1.2: B 159 THR OG1 : rot -29:sc= 0.522 USER MOD Set 2.1: A 79 GLN : amide:sc= 0.864 K(o=1.5,f=-4.5) USER MOD Set 2.2: A 82 LYS NZ :NH3+ 166:sc= 0.63 (180deg=-0.1) USER MOD Single : A 5 THR OG1 : rot -39:sc= 0.678 USER MOD Single : A 7 ASN :FLIP amide:sc= 0 F(o=-0.54,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 HE2:sc= -5.03! C(o=-5!,f=-5.6!) USER MOD Single : A 18 THR OG1 : rot -150:sc= -0.359 USER MOD Single : A 19 LYS NZ :NH3+ 155:sc= -0.276 (180deg=-1.02) USER MOD Single : A 22 LYS NZ :NH3+ -177:sc= -0.689 (180deg=-0.701) USER MOD Single : A 23 SER OG : rot 22:sc= 0.366 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 55:sc= -2.15! USER MOD Single : A 42 GLN : amide:sc= -0.449 X(o=-0.45,f=-0.83) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -2:sc= 0.729 USER MOD Single : A 57 LYS NZ :NH3+ -145:sc= -0.572! (180deg=-2.24!) USER MOD Single : A 58 MET CE :methyl -179:sc= -1.08 (180deg=-1.08) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.283 USER MOD Single : A 66 SER OG : rot 180:sc=-0.00109 USER MOD Single : A 68 ASN : amide:sc= -1.87 K(o=-1.9,f=-2.8!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 CYS SG : rot 140:sc= -0.429 USER MOD Single : A 75 HIS : no HE2:sc= -1.2 K(o=-1.2,f=-2.8!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN :FLIP amide:sc= -0.233 F(o=-0.77,f=-0.23) USER MOD Single : A 86 SER OG : rot 85:sc= 1.21 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot -153:sc= 0.315 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : B 160 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 120 N THR A 5 110.759 12.650 -5.106 1.00 0.00 N ATOM 121 CA THR A 5 109.748 13.508 -4.582 1.00 0.00 C ATOM 122 C THR A 5 108.886 12.723 -3.598 1.00 0.00 C ATOM 123 O THR A 5 107.710 13.024 -3.405 1.00 0.00 O ATOM 124 CB THR A 5 108.916 14.216 -5.696 1.00 0.00 C ATOM 125 OG1 THR A 5 107.931 15.114 -5.135 1.00 0.00 O ATOM 126 CG2 THR A 5 108.248 13.233 -6.649 1.00 0.00 C ATOM 0 HA THR A 5 110.228 14.325 -4.044 1.00 0.00 H new ATOM 0 HB THR A 5 109.631 14.799 -6.277 1.00 0.00 H new ATOM 0 HG1 THR A 5 107.542 14.712 -4.331 1.00 0.00 H new ATOM 0 HG21 THR A 5 107.684 13.783 -7.402 1.00 0.00 H new ATOM 0 HG22 THR A 5 109.010 12.626 -7.138 1.00 0.00 H new ATOM 0 HG23 THR A 5 107.572 12.586 -6.090 1.00 0.00 H new ATOM 134 N ARG A 6 109.519 11.662 -3.002 1.00 0.00 N ATOM 135 CA ARG A 6 108.964 10.765 -1.937 1.00 0.00 C ATOM 136 C ARG A 6 107.673 10.087 -2.354 1.00 0.00 C ATOM 137 O ARG A 6 106.874 9.641 -1.564 1.00 0.00 O ATOM 138 CB ARG A 6 108.817 11.513 -0.642 1.00 0.00 C ATOM 139 CG ARG A 6 107.669 12.464 -0.568 1.00 0.00 C ATOM 140 CD ARG A 6 107.857 13.367 0.568 1.00 0.00 C ATOM 141 NE ARG A 6 107.940 12.659 1.863 1.00 0.00 N ATOM 142 CZ ARG A 6 108.815 12.951 2.848 1.00 0.00 C ATOM 143 NH1 ARG A 6 109.715 13.923 2.682 1.00 0.00 N ATOM 144 NH2 ARG A 6 108.797 12.259 3.985 1.00 0.00 N ATOM 0 H ARG A 6 110.469 11.399 -3.263 1.00 0.00 H new ATOM 0 HA ARG A 6 109.682 9.960 -1.784 1.00 0.00 H new ATOM 0 HB2 ARG A 6 108.716 10.788 0.165 1.00 0.00 H new ATOM 0 HB3 ARG A 6 109.737 12.068 -0.458 1.00 0.00 H new ATOM 0 HG2 ARG A 6 107.596 13.036 -1.493 1.00 0.00 H new ATOM 0 HG3 ARG A 6 106.734 11.915 -0.459 1.00 0.00 H new ATOM 0 HD2 ARG A 6 108.768 13.946 0.418 1.00 0.00 H new ATOM 0 HD3 ARG A 6 107.031 14.077 0.601 1.00 0.00 H new ATOM 0 HE ARG A 6 107.287 11.892 2.024 1.00 0.00 H new ATOM 0 HH11 ARG A 6 109.743 14.448 1.808 1.00 0.00 H new ATOM 0 HH12 ARG A 6 110.374 14.140 3.429 1.00 0.00 H new ATOM 0 HH21 ARG A 6 108.121 11.506 4.113 1.00 0.00 H new ATOM 0 HH22 ARG A 6 109.459 12.482 4.728 1.00 0.00 H new ATOM 158 N ASN A 7 107.480 10.067 -3.570 1.00 0.00 N ATOM 159 CA ASN A 7 106.345 9.402 -4.178 1.00 0.00 C ATOM 160 C ASN A 7 106.637 7.931 -4.486 1.00 0.00 C ATOM 161 O ASN A 7 107.456 7.611 -5.337 1.00 0.00 O ATOM 162 CB ASN A 7 105.940 10.113 -5.480 1.00 0.00 C ATOM 163 CG ASN A 7 105.028 11.323 -5.304 1.00 0.00 C ATOM 164 OD1 ASN A 7 105.093 11.974 -4.182 1.00 0.00 O flip ATOM 165 ND2 ASN A 7 104.255 11.655 -6.205 1.00 0.00 N flip ATOM 0 H ASN A 7 108.102 10.516 -4.242 1.00 0.00 H new ATOM 0 HA ASN A 7 105.529 9.447 -3.457 1.00 0.00 H new ATOM 0 HB2 ASN A 7 106.845 10.433 -5.997 1.00 0.00 H new ATOM 0 HB3 ASN A 7 105.440 9.393 -6.128 1.00 0.00 H new ATOM 0 HD21 ASN A 7 104.227 11.123 -7.075 1.00 0.00 H new ATOM 0 HD22 ASN A 7 103.643 12.461 -6.081 1.00 0.00 H new ATOM 172 N PRO A 8 105.945 6.978 -3.813 1.00 0.00 N ATOM 173 CA PRO A 8 106.030 5.559 -4.186 1.00 0.00 C ATOM 174 C PRO A 8 105.614 5.399 -5.597 1.00 0.00 C ATOM 175 O PRO A 8 106.018 4.494 -6.303 1.00 0.00 O ATOM 176 CB PRO A 8 104.913 4.913 -3.430 1.00 0.00 C ATOM 177 CG PRO A 8 104.367 5.886 -2.459 1.00 0.00 C ATOM 178 CD PRO A 8 105.103 7.178 -2.616 1.00 0.00 C ATOM 0 HA PRO A 8 107.031 5.167 -4.007 1.00 0.00 H new ATOM 0 HB2 PRO A 8 104.132 4.587 -4.117 1.00 0.00 H new ATOM 0 HB3 PRO A 8 105.273 4.024 -2.912 1.00 0.00 H new ATOM 0 HG2 PRO A 8 103.301 6.034 -2.630 1.00 0.00 H new ATOM 0 HG3 PRO A 8 104.477 5.509 -1.442 1.00 0.00 H new ATOM 0 HD2 PRO A 8 104.415 8.013 -2.749 1.00 0.00 H new ATOM 0 HD3 PRO A 8 105.708 7.400 -1.737 1.00 0.00 H new ATOM 186 N SER A 9 104.756 6.288 -5.960 1.00 0.00 N ATOM 187 CA SER A 9 104.150 6.298 -7.184 1.00 0.00 C ATOM 188 C SER A 9 105.165 6.704 -8.298 1.00 0.00 C ATOM 189 O SER A 9 104.990 6.348 -9.467 1.00 0.00 O ATOM 190 CB SER A 9 102.962 7.233 -7.100 1.00 0.00 C ATOM 191 OG SER A 9 102.154 7.222 -8.263 1.00 0.00 O ATOM 0 H SER A 9 104.464 7.056 -5.356 1.00 0.00 H new ATOM 0 HA SER A 9 103.796 5.303 -7.456 1.00 0.00 H new ATOM 0 HB2 SER A 9 102.352 6.957 -6.240 1.00 0.00 H new ATOM 0 HB3 SER A 9 103.319 8.248 -6.924 1.00 0.00 H new ATOM 0 HG SER A 9 101.405 7.843 -8.147 1.00 0.00 H new ATOM 197 N GLU A 10 106.242 7.442 -7.926 1.00 0.00 N ATOM 198 CA GLU A 10 107.258 7.818 -8.907 1.00 0.00 C ATOM 199 C GLU A 10 108.152 6.619 -9.116 1.00 0.00 C ATOM 200 O GLU A 10 108.688 6.397 -10.215 1.00 0.00 O ATOM 201 CB GLU A 10 108.089 9.056 -8.465 1.00 0.00 C ATOM 202 CG GLU A 10 109.105 8.818 -7.353 1.00 0.00 C ATOM 203 CD GLU A 10 109.698 10.079 -6.828 1.00 0.00 C ATOM 204 OE1 GLU A 10 110.227 10.882 -7.635 1.00 0.00 O ATOM 205 OE2 GLU A 10 109.603 10.320 -5.599 1.00 0.00 O ATOM 0 H GLU A 10 106.416 7.775 -6.977 1.00 0.00 H new ATOM 0 HA GLU A 10 106.768 8.108 -9.836 1.00 0.00 H new ATOM 0 HB2 GLU A 10 108.618 9.443 -9.336 1.00 0.00 H new ATOM 0 HB3 GLU A 10 107.399 9.834 -8.139 1.00 0.00 H new ATOM 0 HG2 GLU A 10 108.622 8.282 -6.536 1.00 0.00 H new ATOM 0 HG3 GLU A 10 109.902 8.176 -7.728 1.00 0.00 H new ATOM 212 N LEU A 11 108.298 5.844 -8.041 1.00 0.00 N ATOM 213 CA LEU A 11 109.039 4.617 -8.069 1.00 0.00 C ATOM 214 C LEU A 11 108.381 3.615 -8.990 1.00 0.00 C ATOM 215 O LEU A 11 107.172 3.351 -8.930 1.00 0.00 O ATOM 216 CB LEU A 11 109.241 4.072 -6.667 1.00 0.00 C ATOM 217 CG LEU A 11 110.181 4.893 -5.782 1.00 0.00 C ATOM 218 CD1 LEU A 11 110.142 4.382 -4.370 1.00 0.00 C ATOM 219 CD2 LEU A 11 111.608 4.824 -6.312 1.00 0.00 C ATOM 0 H LEU A 11 107.897 6.065 -7.129 1.00 0.00 H new ATOM 0 HA LEU A 11 110.031 4.818 -8.474 1.00 0.00 H new ATOM 0 HB2 LEU A 11 108.270 4.006 -6.176 1.00 0.00 H new ATOM 0 HB3 LEU A 11 109.631 3.057 -6.741 1.00 0.00 H new ATOM 0 HG LEU A 11 109.848 5.931 -5.797 1.00 0.00 H new ATOM 0 HD11 LEU A 11 110.815 4.974 -3.750 1.00 0.00 H new ATOM 0 HD12 LEU A 11 109.127 4.462 -3.982 1.00 0.00 H new ATOM 0 HD13 LEU A 11 110.456 3.338 -4.352 1.00 0.00 H new ATOM 0 HD21 LEU A 11 112.263 5.413 -5.671 1.00 0.00 H new ATOM 0 HD22 LEU A 11 111.944 3.787 -6.319 1.00 0.00 H new ATOM 0 HD23 LEU A 11 111.639 5.222 -7.326 1.00 0.00 H new ATOM 231 N LYS A 12 109.201 3.093 -9.835 1.00 0.00 N ATOM 232 CA LYS A 12 108.815 2.232 -10.927 1.00 0.00 C ATOM 233 C LYS A 12 108.567 0.781 -10.495 1.00 0.00 C ATOM 234 O LYS A 12 108.729 0.423 -9.324 1.00 0.00 O ATOM 235 CB LYS A 12 109.895 2.284 -11.986 1.00 0.00 C ATOM 236 CG LYS A 12 111.222 1.837 -11.446 1.00 0.00 C ATOM 237 CD LYS A 12 112.281 1.709 -12.516 1.00 0.00 C ATOM 238 CE LYS A 12 112.661 3.059 -13.119 1.00 0.00 C ATOM 239 NZ LYS A 12 113.711 2.920 -14.140 1.00 0.00 N ATOM 0 H LYS A 12 110.207 3.255 -9.792 1.00 0.00 H new ATOM 0 HA LYS A 12 107.866 2.597 -11.319 1.00 0.00 H new ATOM 0 HB2 LYS A 12 109.612 1.650 -12.826 1.00 0.00 H new ATOM 0 HB3 LYS A 12 109.981 3.301 -12.368 1.00 0.00 H new ATOM 0 HG2 LYS A 12 111.559 2.548 -10.692 1.00 0.00 H new ATOM 0 HG3 LYS A 12 111.100 0.876 -10.946 1.00 0.00 H new ATOM 0 HD2 LYS A 12 113.169 1.240 -12.091 1.00 0.00 H new ATOM 0 HD3 LYS A 12 111.919 1.050 -13.305 1.00 0.00 H new ATOM 0 HE2 LYS A 12 111.779 3.521 -13.564 1.00 0.00 H new ATOM 0 HE3 LYS A 12 113.006 3.726 -12.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 113.944 3.856 -14.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 114.561 2.502 -13.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 113.372 2.303 -14.905 1.00 0.00 H new ATOM 253 N GLY A 13 108.195 -0.040 -11.460 1.00 0.00 N ATOM 254 CA GLY A 13 107.906 -1.420 -11.211 1.00 0.00 C ATOM 255 C GLY A 13 106.473 -1.627 -10.803 1.00 0.00 C ATOM 256 O GLY A 13 105.541 -1.181 -11.478 1.00 0.00 O ATOM 0 H GLY A 13 108.088 0.242 -12.435 1.00 0.00 H new ATOM 0 HA2 GLY A 13 108.116 -2.003 -12.108 1.00 0.00 H new ATOM 0 HA3 GLY A 13 108.565 -1.793 -10.427 1.00 0.00 H new ATOM 260 N LYS A 14 106.305 -2.272 -9.705 1.00 0.00 N ATOM 261 CA LYS A 14 105.022 -2.573 -9.147 1.00 0.00 C ATOM 262 C LYS A 14 104.974 -2.136 -7.705 1.00 0.00 C ATOM 263 O LYS A 14 105.947 -2.221 -7.014 1.00 0.00 O ATOM 264 CB LYS A 14 104.663 -4.056 -9.312 1.00 0.00 C ATOM 265 CG LYS A 14 105.778 -5.060 -9.056 1.00 0.00 C ATOM 266 CD LYS A 14 106.454 -5.503 -10.356 1.00 0.00 C ATOM 267 CE LYS A 14 107.489 -6.588 -10.098 1.00 0.00 C ATOM 268 NZ LYS A 14 108.122 -7.074 -11.338 1.00 0.00 N ATOM 0 H LYS A 14 107.082 -2.621 -9.144 1.00 0.00 H new ATOM 0 HA LYS A 14 104.265 -2.014 -9.698 1.00 0.00 H new ATOM 0 HB2 LYS A 14 103.838 -4.284 -8.637 1.00 0.00 H new ATOM 0 HB3 LYS A 14 104.295 -4.207 -10.327 1.00 0.00 H new ATOM 0 HG2 LYS A 14 106.521 -4.617 -8.393 1.00 0.00 H new ATOM 0 HG3 LYS A 14 105.372 -5.931 -8.542 1.00 0.00 H new ATOM 0 HD2 LYS A 14 105.701 -5.873 -11.052 1.00 0.00 H new ATOM 0 HD3 LYS A 14 106.933 -4.646 -10.830 1.00 0.00 H new ATOM 0 HE2 LYS A 14 108.258 -6.200 -9.430 1.00 0.00 H new ATOM 0 HE3 LYS A 14 107.013 -7.424 -9.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 108.818 -7.811 -11.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 107.395 -7.470 -11.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 108.600 -6.284 -11.816 1.00 0.00 H new ATOM 282 N PHE A 15 103.844 -1.720 -7.260 1.00 0.00 N ATOM 283 CA PHE A 15 103.689 -1.114 -5.986 1.00 0.00 C ATOM 284 C PHE A 15 102.776 -1.991 -5.157 1.00 0.00 C ATOM 285 O PHE A 15 101.605 -2.207 -5.507 1.00 0.00 O ATOM 286 CB PHE A 15 103.105 0.288 -6.212 1.00 0.00 C ATOM 287 CG PHE A 15 102.901 1.160 -4.998 1.00 0.00 C ATOM 288 CD1 PHE A 15 103.504 0.880 -3.787 1.00 0.00 C ATOM 289 CD2 PHE A 15 102.103 2.275 -5.095 1.00 0.00 C ATOM 290 CE1 PHE A 15 103.307 1.697 -2.690 1.00 0.00 C ATOM 291 CE2 PHE A 15 101.900 3.105 -4.014 1.00 0.00 C ATOM 292 CZ PHE A 15 102.500 2.817 -2.805 1.00 0.00 C ATOM 0 H PHE A 15 102.974 -1.794 -7.788 1.00 0.00 H new ATOM 0 HA PHE A 15 104.633 -1.013 -5.450 1.00 0.00 H new ATOM 0 HB2 PHE A 15 103.761 0.819 -6.901 1.00 0.00 H new ATOM 0 HB3 PHE A 15 102.143 0.175 -6.711 1.00 0.00 H new ATOM 0 HD1 PHE A 15 104.138 0.011 -3.696 1.00 0.00 H new ATOM 0 HD2 PHE A 15 101.626 2.505 -6.036 1.00 0.00 H new ATOM 0 HE1 PHE A 15 103.780 1.463 -1.748 1.00 0.00 H new ATOM 0 HE2 PHE A 15 101.273 3.979 -4.113 1.00 0.00 H new ATOM 0 HZ PHE A 15 102.341 3.461 -1.953 1.00 0.00 H new ATOM 302 N ILE A 16 103.311 -2.505 -4.095 1.00 0.00 N ATOM 303 CA ILE A 16 102.617 -3.412 -3.232 1.00 0.00 C ATOM 304 C ILE A 16 102.755 -2.991 -1.796 1.00 0.00 C ATOM 305 O ILE A 16 103.705 -2.287 -1.430 1.00 0.00 O ATOM 306 CB ILE A 16 103.055 -4.907 -3.373 1.00 0.00 C ATOM 307 CG1 ILE A 16 104.591 -5.121 -3.224 1.00 0.00 C ATOM 308 CG2 ILE A 16 102.527 -5.518 -4.660 1.00 0.00 C ATOM 309 CD1 ILE A 16 105.437 -4.715 -4.440 1.00 0.00 C ATOM 0 H ILE A 16 104.265 -2.302 -3.796 1.00 0.00 H new ATOM 0 HA ILE A 16 101.576 -3.361 -3.551 1.00 0.00 H new ATOM 0 HB ILE A 16 102.601 -5.435 -2.535 1.00 0.00 H new ATOM 0 HG12 ILE A 16 104.936 -4.556 -2.358 1.00 0.00 H new ATOM 0 HG13 ILE A 16 104.774 -6.174 -3.011 1.00 0.00 H new ATOM 0 HG21 ILE A 16 102.849 -6.557 -4.728 1.00 0.00 H new ATOM 0 HG22 ILE A 16 101.438 -5.474 -4.663 1.00 0.00 H new ATOM 0 HG23 ILE A 16 102.915 -4.961 -5.513 1.00 0.00 H new ATOM 0 HD11 ILE A 16 106.490 -4.905 -4.231 1.00 0.00 H new ATOM 0 HD12 ILE A 16 105.129 -5.297 -5.308 1.00 0.00 H new ATOM 0 HD13 ILE A 16 105.294 -3.654 -4.645 1.00 0.00 H new ATOM 321 N HIS A 17 101.796 -3.361 -1.005 1.00 0.00 N ATOM 322 CA HIS A 17 101.804 -3.048 0.390 1.00 0.00 C ATOM 323 C HIS A 17 101.648 -4.346 1.181 1.00 0.00 C ATOM 324 O HIS A 17 100.600 -5.003 1.131 1.00 0.00 O ATOM 325 CB HIS A 17 100.675 -2.054 0.690 1.00 0.00 C ATOM 326 CG HIS A 17 100.637 -1.534 2.091 1.00 0.00 C ATOM 327 ND1 HIS A 17 99.506 -1.037 2.695 1.00 0.00 N ATOM 328 CD2 HIS A 17 101.627 -1.394 2.989 1.00 0.00 C ATOM 329 CE1 HIS A 17 99.842 -0.622 3.910 1.00 0.00 C ATOM 330 NE2 HIS A 17 101.123 -0.819 4.136 1.00 0.00 N ATOM 0 H HIS A 17 100.981 -3.892 -1.311 1.00 0.00 H new ATOM 0 HA HIS A 17 102.744 -2.580 0.682 1.00 0.00 H new ATOM 0 HB2 HIS A 17 100.767 -1.208 0.009 1.00 0.00 H new ATOM 0 HB3 HIS A 17 99.722 -2.536 0.473 1.00 0.00 H new ATOM 0 HD1 HIS A 17 98.574 -0.995 2.282 1.00 0.00 H new ATOM 0 HD2 HIS A 17 102.655 -1.686 2.836 1.00 0.00 H new ATOM 0 HE1 HIS A 17 99.156 -0.182 4.618 1.00 0.00 H new ATOM 338 N THR A 18 102.686 -4.723 1.858 1.00 0.00 N ATOM 339 CA THR A 18 102.691 -5.954 2.624 1.00 0.00 C ATOM 340 C THR A 18 103.145 -5.688 4.052 1.00 0.00 C ATOM 341 O THR A 18 103.891 -4.771 4.307 1.00 0.00 O ATOM 342 CB THR A 18 103.597 -7.034 1.960 1.00 0.00 C ATOM 343 OG1 THR A 18 103.486 -8.286 2.657 1.00 0.00 O ATOM 344 CG2 THR A 18 105.065 -6.610 1.939 1.00 0.00 C ATOM 0 H THR A 18 103.558 -4.196 1.903 1.00 0.00 H new ATOM 0 HA THR A 18 101.671 -6.339 2.643 1.00 0.00 H new ATOM 0 HB THR A 18 103.251 -7.148 0.933 1.00 0.00 H new ATOM 0 HG1 THR A 18 104.329 -8.779 2.580 1.00 0.00 H new ATOM 0 HG21 THR A 18 105.662 -7.391 1.468 1.00 0.00 H new ATOM 0 HG22 THR A 18 105.168 -5.684 1.374 1.00 0.00 H new ATOM 0 HG23 THR A 18 105.413 -6.453 2.960 1.00 0.00 H new ATOM 352 N LYS A 19 102.685 -6.482 4.960 1.00 0.00 N ATOM 353 CA LYS A 19 103.011 -6.324 6.343 1.00 0.00 C ATOM 354 C LYS A 19 104.056 -7.360 6.731 1.00 0.00 C ATOM 355 O LYS A 19 103.941 -8.539 6.362 1.00 0.00 O ATOM 356 CB LYS A 19 101.708 -6.462 7.153 1.00 0.00 C ATOM 357 CG LYS A 19 101.783 -6.245 8.660 1.00 0.00 C ATOM 358 CD LYS A 19 102.236 -7.474 9.433 1.00 0.00 C ATOM 359 CE LYS A 19 102.036 -7.261 10.908 1.00 0.00 C ATOM 360 NZ LYS A 19 100.631 -6.899 11.244 1.00 0.00 N ATOM 0 H LYS A 19 102.065 -7.268 4.764 1.00 0.00 H new ATOM 0 HA LYS A 19 103.442 -5.344 6.550 1.00 0.00 H new ATOM 0 HB2 LYS A 19 100.985 -5.754 6.748 1.00 0.00 H new ATOM 0 HB3 LYS A 19 101.309 -7.461 6.978 1.00 0.00 H new ATOM 0 HG2 LYS A 19 102.469 -5.424 8.866 1.00 0.00 H new ATOM 0 HG3 LYS A 19 100.802 -5.939 9.023 1.00 0.00 H new ATOM 0 HD2 LYS A 19 101.673 -8.348 9.104 1.00 0.00 H new ATOM 0 HD3 LYS A 19 103.287 -7.676 9.226 1.00 0.00 H new ATOM 0 HE2 LYS A 19 102.313 -8.169 11.444 1.00 0.00 H new ATOM 0 HE3 LYS A 19 102.704 -6.471 11.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 100.429 -7.169 12.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 100.501 -5.873 11.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 99.981 -7.402 10.607 1.00 0.00 H new ATOM 374 N LEU A 20 105.053 -6.933 7.480 1.00 0.00 N ATOM 375 CA LEU A 20 106.095 -7.797 7.920 1.00 0.00 C ATOM 376 C LEU A 20 106.037 -7.828 9.378 1.00 0.00 C ATOM 377 O LEU A 20 106.169 -6.790 10.063 1.00 0.00 O ATOM 378 CB LEU A 20 107.488 -7.345 7.452 1.00 0.00 C ATOM 379 CG LEU A 20 108.124 -8.098 6.265 1.00 0.00 C ATOM 380 CD1 LEU A 20 107.169 -8.300 5.116 1.00 0.00 C ATOM 381 CD2 LEU A 20 109.351 -7.362 5.798 1.00 0.00 C ATOM 0 H LEU A 20 105.150 -5.968 7.795 1.00 0.00 H new ATOM 0 HA LEU A 20 105.944 -8.786 7.487 1.00 0.00 H new ATOM 0 HB2 LEU A 20 107.427 -6.290 7.186 1.00 0.00 H new ATOM 0 HB3 LEU A 20 108.168 -7.421 8.301 1.00 0.00 H new ATOM 0 HG LEU A 20 108.396 -9.091 6.622 1.00 0.00 H new ATOM 0 HD11 LEU A 20 107.675 -8.835 4.312 1.00 0.00 H new ATOM 0 HD12 LEU A 20 106.310 -8.880 5.454 1.00 0.00 H new ATOM 0 HD13 LEU A 20 106.830 -7.331 4.750 1.00 0.00 H new ATOM 0 HD21 LEU A 20 109.798 -7.896 4.960 1.00 0.00 H new ATOM 0 HD22 LEU A 20 109.074 -6.356 5.482 1.00 0.00 H new ATOM 0 HD23 LEU A 20 110.071 -7.300 6.614 1.00 0.00 H new ATOM 393 N ARG A 21 105.771 -8.955 9.864 1.00 0.00 N ATOM 394 CA ARG A 21 105.716 -9.142 11.231 1.00 0.00 C ATOM 395 C ARG A 21 107.121 -9.441 11.685 1.00 0.00 C ATOM 396 O ARG A 21 107.654 -10.494 11.340 1.00 0.00 O ATOM 397 CB ARG A 21 104.786 -10.291 11.554 1.00 0.00 C ATOM 398 CG ARG A 21 104.614 -10.542 13.025 1.00 0.00 C ATOM 399 CD ARG A 21 103.679 -11.702 13.240 1.00 0.00 C ATOM 400 NE ARG A 21 103.415 -11.958 14.649 1.00 0.00 N ATOM 401 CZ ARG A 21 102.892 -13.088 15.118 1.00 0.00 C ATOM 402 NH1 ARG A 21 102.478 -14.035 14.272 1.00 0.00 N ATOM 403 NH2 ARG A 21 102.735 -13.242 16.422 1.00 0.00 N ATOM 0 H ARG A 21 105.582 -9.790 9.310 1.00 0.00 H new ATOM 0 HA ARG A 21 105.332 -8.259 11.741 1.00 0.00 H new ATOM 0 HB2 ARG A 21 103.810 -10.090 11.113 1.00 0.00 H new ATOM 0 HB3 ARG A 21 105.167 -11.197 11.083 1.00 0.00 H new ATOM 0 HG2 ARG A 21 105.581 -10.753 13.482 1.00 0.00 H new ATOM 0 HG3 ARG A 21 104.219 -9.650 13.511 1.00 0.00 H new ATOM 0 HD2 ARG A 21 102.737 -11.504 12.728 1.00 0.00 H new ATOM 0 HD3 ARG A 21 104.106 -12.596 12.786 1.00 0.00 H new ATOM 0 HE ARG A 21 103.646 -11.224 15.319 1.00 0.00 H new ATOM 0 HH11 ARG A 21 102.563 -13.892 13.266 1.00 0.00 H new ATOM 0 HH12 ARG A 21 102.077 -14.901 14.632 1.00 0.00 H new ATOM 0 HH21 ARG A 21 103.014 -12.497 17.061 1.00 0.00 H new ATOM 0 HH22 ARG A 21 102.335 -14.105 16.789 1.00 0.00 H new ATOM 417 N LYS A 22 107.744 -8.468 12.348 1.00 0.00 N ATOM 418 CA LYS A 22 109.055 -8.584 12.904 1.00 0.00 C ATOM 419 C LYS A 22 109.363 -9.908 13.469 1.00 0.00 C ATOM 420 O LYS A 22 108.752 -10.335 14.472 1.00 0.00 O ATOM 421 CB LYS A 22 109.261 -7.565 13.947 1.00 0.00 C ATOM 422 CG LYS A 22 109.835 -6.313 13.427 1.00 0.00 C ATOM 423 CD LYS A 22 108.993 -5.532 12.478 1.00 0.00 C ATOM 424 CE LYS A 22 108.024 -4.607 13.180 1.00 0.00 C ATOM 425 NZ LYS A 22 108.686 -3.489 13.911 1.00 0.00 N ATOM 0 H LYS A 22 107.320 -7.554 12.508 1.00 0.00 H new ATOM 0 HA LYS A 22 109.734 -8.433 12.065 1.00 0.00 H new ATOM 0 HB2 LYS A 22 108.307 -7.348 14.428 1.00 0.00 H new ATOM 0 HB3 LYS A 22 109.921 -7.968 14.715 1.00 0.00 H new ATOM 0 HG2 LYS A 22 110.076 -5.672 14.275 1.00 0.00 H new ATOM 0 HG3 LYS A 22 110.776 -6.551 12.930 1.00 0.00 H new ATOM 0 HD2 LYS A 22 109.639 -4.946 11.824 1.00 0.00 H new ATOM 0 HD3 LYS A 22 108.436 -6.220 11.842 1.00 0.00 H new ATOM 0 HE2 LYS A 22 107.335 -4.191 12.445 1.00 0.00 H new ATOM 0 HE3 LYS A 22 107.427 -5.187 13.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 107.967 -2.926 14.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 109.361 -3.877 14.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 109.192 -2.883 13.234 1.00 0.00 H new ATOM 439 N SER A 23 110.354 -10.501 12.858 1.00 0.00 N ATOM 440 CA SER A 23 110.818 -11.802 13.154 1.00 0.00 C ATOM 441 C SER A 23 111.871 -11.697 14.268 1.00 0.00 C ATOM 442 O SER A 23 111.815 -10.747 15.074 1.00 0.00 O ATOM 443 CB SER A 23 111.389 -12.414 11.849 1.00 0.00 C ATOM 444 OG SER A 23 111.757 -13.767 12.013 1.00 0.00 O ATOM 0 H SER A 23 110.876 -10.054 12.104 1.00 0.00 H new ATOM 0 HA SER A 23 110.022 -12.455 13.512 1.00 0.00 H new ATOM 0 HB2 SER A 23 110.645 -12.335 11.056 1.00 0.00 H new ATOM 0 HB3 SER A 23 112.258 -11.839 11.529 1.00 0.00 H new ATOM 0 HG SER A 23 111.275 -14.147 12.777 1.00 0.00 H new ATOM 450 N SER A 24 112.795 -12.627 14.332 1.00 0.00 N ATOM 451 CA SER A 24 113.810 -12.656 15.364 1.00 0.00 C ATOM 452 C SER A 24 114.789 -11.459 15.291 1.00 0.00 C ATOM 453 O SER A 24 115.884 -11.561 14.731 1.00 0.00 O ATOM 454 CB SER A 24 114.555 -13.973 15.310 1.00 0.00 C ATOM 455 OG SER A 24 113.641 -15.065 15.401 1.00 0.00 O ATOM 0 H SER A 24 112.866 -13.394 13.663 1.00 0.00 H new ATOM 0 HA SER A 24 113.300 -12.564 16.323 1.00 0.00 H new ATOM 0 HB2 SER A 24 115.121 -14.040 14.381 1.00 0.00 H new ATOM 0 HB3 SER A 24 115.276 -14.024 16.126 1.00 0.00 H new ATOM 0 HG SER A 24 114.136 -15.910 15.363 1.00 0.00 H new ATOM 461 N ARG A 25 114.337 -10.322 15.823 1.00 0.00 N ATOM 462 CA ARG A 25 115.123 -9.118 15.969 1.00 0.00 C ATOM 463 C ARG A 25 115.373 -8.467 14.648 1.00 0.00 C ATOM 464 O ARG A 25 116.462 -8.535 14.074 1.00 0.00 O ATOM 465 CB ARG A 25 116.397 -9.346 16.790 1.00 0.00 C ATOM 466 CG ARG A 25 116.189 -9.275 18.302 1.00 0.00 C ATOM 467 CD ARG A 25 115.979 -7.845 18.728 1.00 0.00 C ATOM 468 NE ARG A 25 116.028 -7.652 20.178 1.00 0.00 N ATOM 469 CZ ARG A 25 115.989 -6.449 20.764 1.00 0.00 C ATOM 470 NH1 ARG A 25 115.639 -5.376 20.054 1.00 0.00 N ATOM 471 NH2 ARG A 25 116.254 -6.321 22.051 1.00 0.00 N ATOM 0 H ARG A 25 113.384 -10.221 16.172 1.00 0.00 H new ATOM 0 HA ARG A 25 114.534 -8.410 16.552 1.00 0.00 H new ATOM 0 HB2 ARG A 25 116.809 -10.323 16.537 1.00 0.00 H new ATOM 0 HB3 ARG A 25 117.140 -8.602 16.501 1.00 0.00 H new ATOM 0 HG2 ARG A 25 115.327 -9.878 18.587 1.00 0.00 H new ATOM 0 HG3 ARG A 25 117.055 -9.693 18.816 1.00 0.00 H new ATOM 0 HD2 ARG A 25 116.740 -7.220 18.261 1.00 0.00 H new ATOM 0 HD3 ARG A 25 115.013 -7.502 18.357 1.00 0.00 H new ATOM 0 HE ARG A 25 116.095 -8.477 20.773 1.00 0.00 H new ATOM 0 HH11 ARG A 25 115.402 -5.473 19.067 1.00 0.00 H new ATOM 0 HH12 ARG A 25 115.608 -4.458 20.498 1.00 0.00 H new ATOM 0 HH21 ARG A 25 116.491 -7.143 22.607 1.00 0.00 H new ATOM 0 HH22 ARG A 25 116.222 -5.400 22.489 1.00 0.00 H new ATOM 485 N GLY A 26 114.342 -7.870 14.154 1.00 0.00 N ATOM 486 CA GLY A 26 114.419 -7.189 12.927 1.00 0.00 C ATOM 487 C GLY A 26 113.574 -7.846 11.905 1.00 0.00 C ATOM 488 O GLY A 26 112.401 -8.223 12.167 1.00 0.00 O ATOM 0 H GLY A 26 113.424 -7.846 14.598 1.00 0.00 H new ATOM 0 HA2 GLY A 26 114.099 -6.155 13.059 1.00 0.00 H new ATOM 0 HA3 GLY A 26 115.454 -7.161 12.586 1.00 0.00 H new ATOM 492 N PHE A 27 114.145 -8.047 10.785 1.00 0.00 N ATOM 493 CA PHE A 27 113.444 -8.520 9.668 1.00 0.00 C ATOM 494 C PHE A 27 114.133 -9.709 9.048 1.00 0.00 C ATOM 495 O PHE A 27 113.772 -10.851 9.334 1.00 0.00 O ATOM 496 CB PHE A 27 113.330 -7.380 8.678 1.00 0.00 C ATOM 497 CG PHE A 27 112.406 -6.327 9.074 1.00 0.00 C ATOM 498 CD1 PHE A 27 111.040 -6.485 8.979 1.00 0.00 C ATOM 499 CD2 PHE A 27 112.912 -5.170 9.585 1.00 0.00 C ATOM 500 CE1 PHE A 27 110.211 -5.486 9.406 1.00 0.00 C ATOM 501 CE2 PHE A 27 112.105 -4.188 9.992 1.00 0.00 C ATOM 502 CZ PHE A 27 110.759 -4.332 9.918 1.00 0.00 C ATOM 0 H PHE A 27 115.138 -7.882 10.617 1.00 0.00 H new ATOM 0 HA PHE A 27 112.453 -8.859 9.969 1.00 0.00 H new ATOM 0 HB2 PHE A 27 114.318 -6.943 8.531 1.00 0.00 H new ATOM 0 HB3 PHE A 27 113.013 -7.782 7.716 1.00 0.00 H new ATOM 0 HD1 PHE A 27 110.627 -7.395 8.569 1.00 0.00 H new ATOM 0 HD2 PHE A 27 113.982 -5.046 9.662 1.00 0.00 H new ATOM 0 HE1 PHE A 27 109.139 -5.601 9.342 1.00 0.00 H new ATOM 0 HE2 PHE A 27 112.527 -3.274 10.382 1.00 0.00 H new ATOM 0 HZ PHE A 27 110.114 -3.537 10.262 1.00 0.00 H new ATOM 512 N GLY A 28 115.149 -9.467 8.299 1.00 0.00 N ATOM 513 CA GLY A 28 115.741 -10.501 7.519 1.00 0.00 C ATOM 514 C GLY A 28 115.793 -10.111 6.059 1.00 0.00 C ATOM 515 O GLY A 28 115.222 -10.780 5.204 1.00 0.00 O ATOM 0 H GLY A 28 115.593 -8.553 8.208 1.00 0.00 H new ATOM 0 HA2 GLY A 28 116.749 -10.704 7.882 1.00 0.00 H new ATOM 0 HA3 GLY A 28 115.169 -11.422 7.634 1.00 0.00 H new ATOM 519 N PHE A 29 116.392 -8.992 5.791 1.00 0.00 N ATOM 520 CA PHE A 29 116.665 -8.543 4.451 1.00 0.00 C ATOM 521 C PHE A 29 117.726 -7.471 4.515 1.00 0.00 C ATOM 522 O PHE A 29 117.809 -6.743 5.501 1.00 0.00 O ATOM 523 CB PHE A 29 115.394 -8.087 3.666 1.00 0.00 C ATOM 524 CG PHE A 29 114.599 -6.949 4.271 1.00 0.00 C ATOM 525 CD1 PHE A 29 115.065 -5.655 4.197 1.00 0.00 C ATOM 526 CD2 PHE A 29 113.380 -7.174 4.889 1.00 0.00 C ATOM 527 CE1 PHE A 29 114.341 -4.602 4.724 1.00 0.00 C ATOM 528 CE2 PHE A 29 112.652 -6.125 5.414 1.00 0.00 C ATOM 529 CZ PHE A 29 113.132 -4.838 5.332 1.00 0.00 C ATOM 0 H PHE A 29 116.714 -8.346 6.512 1.00 0.00 H new ATOM 0 HA PHE A 29 117.034 -9.390 3.873 1.00 0.00 H new ATOM 0 HB2 PHE A 29 115.700 -7.793 2.662 1.00 0.00 H new ATOM 0 HB3 PHE A 29 114.732 -8.947 3.559 1.00 0.00 H new ATOM 0 HD1 PHE A 29 116.013 -5.460 3.719 1.00 0.00 H new ATOM 0 HD2 PHE A 29 112.995 -8.180 4.961 1.00 0.00 H new ATOM 0 HE1 PHE A 29 114.725 -3.595 4.658 1.00 0.00 H new ATOM 0 HE2 PHE A 29 111.702 -6.315 5.891 1.00 0.00 H new ATOM 0 HZ PHE A 29 112.562 -4.018 5.743 1.00 0.00 H new ATOM 539 N THR A 30 118.566 -7.388 3.545 1.00 0.00 N ATOM 540 CA THR A 30 119.533 -6.347 3.553 1.00 0.00 C ATOM 541 C THR A 30 119.192 -5.343 2.513 1.00 0.00 C ATOM 542 O THR A 30 118.857 -5.673 1.347 1.00 0.00 O ATOM 543 CB THR A 30 120.977 -6.870 3.462 1.00 0.00 C ATOM 544 OG1 THR A 30 121.097 -7.762 2.353 1.00 0.00 O ATOM 545 CG2 THR A 30 121.346 -7.613 4.737 1.00 0.00 C ATOM 0 H THR A 30 118.605 -8.019 2.745 1.00 0.00 H new ATOM 0 HA THR A 30 119.497 -5.846 4.520 1.00 0.00 H new ATOM 0 HB THR A 30 121.649 -6.022 3.329 1.00 0.00 H new ATOM 0 HG1 THR A 30 120.793 -7.312 1.537 1.00 0.00 H new ATOM 0 HG21 THR A 30 122.370 -7.979 4.662 1.00 0.00 H new ATOM 0 HG22 THR A 30 121.264 -6.938 5.589 1.00 0.00 H new ATOM 0 HG23 THR A 30 120.669 -8.456 4.876 1.00 0.00 H new ATOM 553 N VAL A 31 119.285 -4.136 2.912 1.00 0.00 N ATOM 554 CA VAL A 31 118.773 -3.083 2.182 1.00 0.00 C ATOM 555 C VAL A 31 119.791 -1.965 2.040 1.00 0.00 C ATOM 556 O VAL A 31 120.607 -1.747 2.918 1.00 0.00 O ATOM 557 CB VAL A 31 117.452 -2.644 2.868 1.00 0.00 C ATOM 558 CG1 VAL A 31 117.622 -2.393 4.350 1.00 0.00 C ATOM 559 CG2 VAL A 31 116.886 -1.459 2.260 1.00 0.00 C ATOM 0 H VAL A 31 119.736 -3.861 3.784 1.00 0.00 H new ATOM 0 HA VAL A 31 118.551 -3.382 1.158 1.00 0.00 H new ATOM 0 HB VAL A 31 116.769 -3.482 2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 31 116.667 -2.089 4.779 1.00 0.00 H new ATOM 0 HG12 VAL A 31 117.964 -3.306 4.837 1.00 0.00 H new ATOM 0 HG13 VAL A 31 118.357 -1.603 4.503 1.00 0.00 H new ATOM 0 HG21 VAL A 31 115.963 -1.191 2.775 1.00 0.00 H new ATOM 0 HG22 VAL A 31 117.596 -0.636 2.337 1.00 0.00 H new ATOM 0 HG23 VAL A 31 116.672 -1.656 1.210 1.00 0.00 H new ATOM 569 N VAL A 32 119.766 -1.337 0.893 1.00 0.00 N ATOM 570 CA VAL A 32 120.629 -0.268 0.549 1.00 0.00 C ATOM 571 C VAL A 32 119.862 0.967 0.233 1.00 0.00 C ATOM 572 O VAL A 32 118.902 0.940 -0.482 1.00 0.00 O ATOM 573 CB VAL A 32 121.553 -0.617 -0.623 1.00 0.00 C ATOM 574 CG1 VAL A 32 122.536 -1.681 -0.206 1.00 0.00 C ATOM 575 CG2 VAL A 32 120.728 -1.092 -1.813 1.00 0.00 C ATOM 0 H VAL A 32 119.110 -1.577 0.150 1.00 0.00 H new ATOM 0 HA VAL A 32 121.252 -0.086 1.425 1.00 0.00 H new ATOM 0 HB VAL A 32 122.108 0.274 -0.917 1.00 0.00 H new ATOM 0 HG11 VAL A 32 123.188 -1.923 -1.045 1.00 0.00 H new ATOM 0 HG12 VAL A 32 123.136 -1.315 0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 32 121.995 -2.576 0.102 1.00 0.00 H new ATOM 0 HG21 VAL A 32 121.392 -1.338 -2.641 1.00 0.00 H new ATOM 0 HG22 VAL A 32 120.158 -1.977 -1.530 1.00 0.00 H new ATOM 0 HG23 VAL A 32 120.043 -0.301 -2.120 1.00 0.00 H new ATOM 585 N GLY A 33 120.279 2.014 0.786 1.00 0.00 N ATOM 586 CA GLY A 33 119.698 3.255 0.519 1.00 0.00 C ATOM 587 C GLY A 33 119.439 3.964 1.782 1.00 0.00 C ATOM 588 O GLY A 33 120.302 3.917 2.719 1.00 0.00 O ATOM 0 H GLY A 33 121.050 2.041 1.453 1.00 0.00 H new ATOM 0 HA2 GLY A 33 120.359 3.848 -0.113 1.00 0.00 H new ATOM 0 HA3 GLY A 33 118.767 3.120 -0.031 1.00 0.00 H new ATOM 592 N GLY A 34 118.260 4.617 1.825 1.00 0.00 N ATOM 593 CA GLY A 34 117.813 5.430 2.961 1.00 0.00 C ATOM 594 C GLY A 34 118.921 6.246 3.466 1.00 0.00 C ATOM 595 O GLY A 34 119.178 6.332 4.614 1.00 0.00 O ATOM 0 H GLY A 34 117.587 4.591 1.059 1.00 0.00 H new ATOM 0 HA2 GLY A 34 116.988 6.073 2.655 1.00 0.00 H new ATOM 0 HA3 GLY A 34 117.436 4.784 3.754 1.00 0.00 H new ATOM 599 N ASP A 35 119.586 6.797 2.555 1.00 0.00 N ATOM 600 CA ASP A 35 120.788 7.508 2.770 1.00 0.00 C ATOM 601 C ASP A 35 120.434 8.879 3.201 1.00 0.00 C ATOM 602 O ASP A 35 121.017 9.407 4.159 1.00 0.00 O ATOM 603 CB ASP A 35 121.543 7.440 1.422 1.00 0.00 C ATOM 604 CG ASP A 35 122.911 8.048 1.348 1.00 0.00 C ATOM 605 OD1 ASP A 35 123.018 9.225 1.088 1.00 0.00 O ATOM 606 OD2 ASP A 35 123.910 7.335 1.469 1.00 0.00 O ATOM 0 H ASP A 35 119.303 6.772 1.575 1.00 0.00 H new ATOM 0 HA ASP A 35 121.430 7.103 3.552 1.00 0.00 H new ATOM 0 HB2 ASP A 35 121.629 6.391 1.140 1.00 0.00 H new ATOM 0 HB3 ASP A 35 120.922 7.923 0.667 1.00 0.00 H new ATOM 611 N GLU A 36 119.441 9.443 2.557 1.00 0.00 N ATOM 612 CA GLU A 36 119.057 10.793 2.838 1.00 0.00 C ATOM 613 C GLU A 36 117.676 11.030 2.360 1.00 0.00 C ATOM 614 O GLU A 36 117.109 10.172 1.698 1.00 0.00 O ATOM 615 CB GLU A 36 120.117 11.772 2.279 1.00 0.00 C ATOM 616 CG GLU A 36 120.692 11.394 0.961 1.00 0.00 C ATOM 617 CD GLU A 36 121.723 12.415 0.508 1.00 0.00 C ATOM 618 OE1 GLU A 36 122.913 12.314 0.888 1.00 0.00 O ATOM 619 OE2 GLU A 36 121.348 13.365 -0.201 1.00 0.00 O ATOM 0 H GLU A 36 118.887 8.982 1.835 1.00 0.00 H new ATOM 0 HA GLU A 36 119.032 10.976 3.912 1.00 0.00 H new ATOM 0 HB2 GLU A 36 119.666 12.760 2.191 1.00 0.00 H new ATOM 0 HB3 GLU A 36 120.929 11.855 3.002 1.00 0.00 H new ATOM 0 HG2 GLU A 36 121.155 10.410 1.030 1.00 0.00 H new ATOM 0 HG3 GLU A 36 119.896 11.321 0.220 1.00 0.00 H new ATOM 626 N PRO A 37 117.080 12.174 2.699 1.00 0.00 N ATOM 627 CA PRO A 37 115.749 12.583 2.243 1.00 0.00 C ATOM 628 C PRO A 37 115.836 12.997 0.787 1.00 0.00 C ATOM 629 O PRO A 37 115.550 14.136 0.386 1.00 0.00 O ATOM 630 CB PRO A 37 115.465 13.783 3.121 1.00 0.00 C ATOM 631 CG PRO A 37 116.403 13.652 4.248 1.00 0.00 C ATOM 632 CD PRO A 37 117.627 13.185 3.574 1.00 0.00 C ATOM 0 HA PRO A 37 114.984 11.810 2.311 1.00 0.00 H new ATOM 0 HB2 PRO A 37 115.624 14.716 2.580 1.00 0.00 H new ATOM 0 HB3 PRO A 37 114.431 13.786 3.465 1.00 0.00 H new ATOM 0 HG2 PRO A 37 116.557 14.600 4.763 1.00 0.00 H new ATOM 0 HG3 PRO A 37 116.049 12.939 4.992 1.00 0.00 H new ATOM 0 HD2 PRO A 37 118.127 13.982 3.024 1.00 0.00 H new ATOM 0 HD3 PRO A 37 118.355 12.776 4.275 1.00 0.00 H new ATOM 640 N ASP A 38 116.262 12.050 0.049 1.00 0.00 N ATOM 641 CA ASP A 38 116.612 12.142 -1.328 1.00 0.00 C ATOM 642 C ASP A 38 116.750 10.731 -1.880 1.00 0.00 C ATOM 643 O ASP A 38 116.301 10.428 -2.984 1.00 0.00 O ATOM 644 CB ASP A 38 117.954 12.879 -1.409 1.00 0.00 C ATOM 645 CG ASP A 38 118.601 12.868 -2.783 1.00 0.00 C ATOM 646 OD1 ASP A 38 119.334 11.908 -3.122 1.00 0.00 O ATOM 647 OD2 ASP A 38 118.436 13.852 -3.526 1.00 0.00 O ATOM 0 H ASP A 38 116.389 11.106 0.415 1.00 0.00 H new ATOM 0 HA ASP A 38 115.858 12.677 -1.905 1.00 0.00 H new ATOM 0 HB2 ASP A 38 117.804 13.914 -1.101 1.00 0.00 H new ATOM 0 HB3 ASP A 38 118.643 12.430 -0.694 1.00 0.00 H new ATOM 652 N GLU A 39 117.326 9.856 -1.072 1.00 0.00 N ATOM 653 CA GLU A 39 117.560 8.495 -1.458 1.00 0.00 C ATOM 654 C GLU A 39 116.869 7.545 -0.473 1.00 0.00 C ATOM 655 O GLU A 39 117.175 7.575 0.759 1.00 0.00 O ATOM 656 CB GLU A 39 119.047 8.221 -1.500 1.00 0.00 C ATOM 657 CG GLU A 39 119.402 6.879 -2.089 1.00 0.00 C ATOM 658 CD GLU A 39 120.866 6.614 -2.059 1.00 0.00 C ATOM 659 OE1 GLU A 39 121.638 7.380 -2.661 1.00 0.00 O ATOM 660 OE2 GLU A 39 121.282 5.642 -1.434 1.00 0.00 O ATOM 0 H GLU A 39 117.642 10.081 -0.129 1.00 0.00 H new ATOM 0 HA GLU A 39 117.145 8.328 -2.452 1.00 0.00 H new ATOM 0 HB2 GLU A 39 119.535 9.003 -2.082 1.00 0.00 H new ATOM 0 HB3 GLU A 39 119.447 8.280 -0.488 1.00 0.00 H new ATOM 0 HG2 GLU A 39 118.883 6.095 -1.538 1.00 0.00 H new ATOM 0 HG3 GLU A 39 119.048 6.833 -3.119 1.00 0.00 H new ATOM 667 N PHE A 40 115.980 6.708 -1.061 1.00 0.00 N ATOM 668 CA PHE A 40 115.048 5.727 -0.415 1.00 0.00 C ATOM 669 C PHE A 40 115.740 4.379 -0.258 1.00 0.00 C ATOM 670 O PHE A 40 116.814 4.169 -0.826 1.00 0.00 O ATOM 671 CB PHE A 40 113.806 5.509 -1.291 1.00 0.00 C ATOM 672 CG PHE A 40 113.192 6.745 -1.891 1.00 0.00 C ATOM 673 CD1 PHE A 40 112.692 7.756 -1.098 1.00 0.00 C ATOM 674 CD2 PHE A 40 113.091 6.869 -3.270 1.00 0.00 C ATOM 675 CE1 PHE A 40 112.104 8.870 -1.667 1.00 0.00 C ATOM 676 CE2 PHE A 40 112.510 7.980 -3.844 1.00 0.00 C ATOM 677 CZ PHE A 40 112.014 8.981 -3.045 1.00 0.00 C ATOM 0 H PHE A 40 115.881 6.693 -2.076 1.00 0.00 H new ATOM 0 HA PHE A 40 114.760 6.130 0.556 1.00 0.00 H new ATOM 0 HB2 PHE A 40 114.073 4.831 -2.101 1.00 0.00 H new ATOM 0 HB3 PHE A 40 113.047 5.006 -0.691 1.00 0.00 H new ATOM 0 HD1 PHE A 40 112.760 7.677 -0.023 1.00 0.00 H new ATOM 0 HD2 PHE A 40 113.474 6.083 -3.904 1.00 0.00 H new ATOM 0 HE1 PHE A 40 111.714 9.655 -1.036 1.00 0.00 H new ATOM 0 HE2 PHE A 40 112.445 8.063 -4.919 1.00 0.00 H new ATOM 0 HZ PHE A 40 111.555 9.852 -3.490 1.00 0.00 H new ATOM 687 N LEU A 41 115.159 3.473 0.555 1.00 0.00 N ATOM 688 CA LEU A 41 115.835 2.207 0.834 1.00 0.00 C ATOM 689 C LEU A 41 115.423 1.158 -0.183 1.00 0.00 C ATOM 690 O LEU A 41 114.337 1.176 -0.612 1.00 0.00 O ATOM 691 CB LEU A 41 115.575 1.690 2.243 1.00 0.00 C ATOM 692 CG LEU A 41 116.081 2.513 3.423 1.00 0.00 C ATOM 693 CD1 LEU A 41 115.103 3.623 3.830 1.00 0.00 C ATOM 694 CD2 LEU A 41 116.410 1.600 4.583 1.00 0.00 C ATOM 0 H LEU A 41 114.255 3.594 1.012 1.00 0.00 H new ATOM 0 HA LEU A 41 116.905 2.402 0.758 1.00 0.00 H new ATOM 0 HB2 LEU A 41 114.498 1.571 2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 41 116.016 0.696 2.318 1.00 0.00 H new ATOM 0 HG LEU A 41 116.992 3.022 3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 41 115.513 4.177 4.674 1.00 0.00 H new ATOM 0 HD12 LEU A 41 114.952 4.301 2.990 1.00 0.00 H new ATOM 0 HD13 LEU A 41 114.149 3.180 4.116 1.00 0.00 H new ATOM 0 HD21 LEU A 41 116.771 2.194 5.423 1.00 0.00 H new ATOM 0 HD22 LEU A 41 115.515 1.055 4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 41 117.182 0.892 4.281 1.00 0.00 H new ATOM 706 N GLN A 42 116.309 0.280 -0.572 1.00 0.00 N ATOM 707 CA GLN A 42 116.039 -0.705 -1.598 1.00 0.00 C ATOM 708 C GLN A 42 116.634 -2.053 -1.184 1.00 0.00 C ATOM 709 O GLN A 42 117.689 -2.106 -0.648 1.00 0.00 O ATOM 710 CB GLN A 42 116.764 -0.259 -2.823 1.00 0.00 C ATOM 711 CG GLN A 42 116.389 -0.979 -4.096 1.00 0.00 C ATOM 712 CD GLN A 42 117.561 -1.136 -5.046 1.00 0.00 C ATOM 713 OE1 GLN A 42 117.834 -0.277 -5.877 1.00 0.00 O ATOM 714 NE2 GLN A 42 118.239 -2.248 -4.956 1.00 0.00 N ATOM 0 H GLN A 42 117.251 0.224 -0.184 1.00 0.00 H new ATOM 0 HA GLN A 42 114.965 -0.805 -1.758 1.00 0.00 H new ATOM 0 HB2 GLN A 42 116.585 0.807 -2.962 1.00 0.00 H new ATOM 0 HB3 GLN A 42 117.834 -0.384 -2.657 1.00 0.00 H new ATOM 0 HG2 GLN A 42 115.993 -1.964 -3.848 1.00 0.00 H new ATOM 0 HG3 GLN A 42 115.591 -0.431 -4.597 1.00 0.00 H new ATOM 0 HE21 GLN A 42 117.987 -2.943 -4.254 1.00 0.00 H new ATOM 0 HE22 GLN A 42 119.021 -2.421 -5.588 1.00 0.00 H new ATOM 723 N ILE A 43 116.007 -3.103 -1.516 1.00 0.00 N ATOM 724 CA ILE A 43 116.446 -4.442 -1.060 1.00 0.00 C ATOM 725 C ILE A 43 117.469 -5.065 -2.019 1.00 0.00 C ATOM 726 O ILE A 43 117.156 -5.251 -3.198 1.00 0.00 O ATOM 727 CB ILE A 43 115.245 -5.421 -0.959 1.00 0.00 C ATOM 728 CG1 ILE A 43 114.101 -4.814 -0.151 1.00 0.00 C ATOM 729 CG2 ILE A 43 115.670 -6.768 -0.365 1.00 0.00 C ATOM 730 CD1 ILE A 43 114.460 -4.395 1.238 1.00 0.00 C ATOM 0 H ILE A 43 115.175 -3.109 -2.106 1.00 0.00 H new ATOM 0 HA ILE A 43 116.901 -4.293 -0.081 1.00 0.00 H new ATOM 0 HB ILE A 43 114.886 -5.598 -1.973 1.00 0.00 H new ATOM 0 HG12 ILE A 43 113.717 -3.947 -0.688 1.00 0.00 H new ATOM 0 HG13 ILE A 43 113.290 -5.540 -0.097 1.00 0.00 H new ATOM 0 HG21 ILE A 43 114.806 -7.430 -0.308 1.00 0.00 H new ATOM 0 HG22 ILE A 43 116.433 -7.221 -0.999 1.00 0.00 H new ATOM 0 HG23 ILE A 43 116.075 -6.613 0.635 1.00 0.00 H new ATOM 0 HD11 ILE A 43 113.582 -3.977 1.730 1.00 0.00 H new ATOM 0 HD12 ILE A 43 114.813 -5.260 1.799 1.00 0.00 H new ATOM 0 HD13 ILE A 43 115.247 -3.642 1.199 1.00 0.00 H new ATOM 742 N LYS A 44 118.689 -5.403 -1.517 1.00 0.00 N ATOM 743 CA LYS A 44 119.674 -6.123 -2.361 1.00 0.00 C ATOM 744 C LYS A 44 119.699 -7.580 -2.026 1.00 0.00 C ATOM 745 O LYS A 44 120.242 -8.358 -2.780 1.00 0.00 O ATOM 746 CB LYS A 44 121.141 -5.683 -2.277 1.00 0.00 C ATOM 747 CG LYS A 44 121.520 -4.279 -2.638 1.00 0.00 C ATOM 748 CD LYS A 44 123.068 -4.157 -2.729 1.00 0.00 C ATOM 749 CE LYS A 44 123.773 -4.637 -1.442 1.00 0.00 C ATOM 750 NZ LYS A 44 125.260 -4.553 -1.511 1.00 0.00 N ATOM 0 H LYS A 44 119.003 -5.197 -0.569 1.00 0.00 H new ATOM 0 HA LYS A 44 119.310 -5.885 -3.360 1.00 0.00 H new ATOM 0 HB2 LYS A 44 121.474 -5.857 -1.254 1.00 0.00 H new ATOM 0 HB3 LYS A 44 121.718 -6.350 -2.918 1.00 0.00 H new ATOM 0 HG2 LYS A 44 121.068 -4.004 -3.591 1.00 0.00 H new ATOM 0 HG3 LYS A 44 121.135 -3.585 -1.891 1.00 0.00 H new ATOM 0 HD2 LYS A 44 123.427 -4.742 -3.576 1.00 0.00 H new ATOM 0 HD3 LYS A 44 123.337 -3.118 -2.922 1.00 0.00 H new ATOM 0 HE2 LYS A 44 123.422 -4.039 -0.601 1.00 0.00 H new ATOM 0 HE3 LYS A 44 123.484 -5.669 -1.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 125.669 -4.890 -0.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 125.605 -5.145 -2.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 125.545 -3.566 -1.672 1.00 0.00 H new ATOM 764 N SER A 45 119.217 -7.959 -0.876 1.00 0.00 N ATOM 765 CA SER A 45 119.182 -9.362 -0.544 1.00 0.00 C ATOM 766 C SER A 45 118.046 -9.671 0.372 1.00 0.00 C ATOM 767 O SER A 45 117.866 -9.024 1.397 1.00 0.00 O ATOM 768 CB SER A 45 120.499 -9.826 0.097 1.00 0.00 C ATOM 769 OG SER A 45 121.587 -9.637 -0.786 1.00 0.00 O ATOM 0 H SER A 45 118.848 -7.332 -0.161 1.00 0.00 H new ATOM 0 HA SER A 45 119.042 -9.904 -1.480 1.00 0.00 H new ATOM 0 HB2 SER A 45 120.674 -9.272 1.019 1.00 0.00 H new ATOM 0 HB3 SER A 45 120.425 -10.879 0.368 1.00 0.00 H new ATOM 0 HG SER A 45 121.259 -9.276 -1.636 1.00 0.00 H new ATOM 775 N LEU A 46 117.274 -10.622 -0.016 1.00 0.00 N ATOM 776 CA LEU A 46 116.266 -11.139 0.783 1.00 0.00 C ATOM 777 C LEU A 46 116.886 -12.187 1.702 1.00 0.00 C ATOM 778 O LEU A 46 117.293 -13.251 1.242 1.00 0.00 O ATOM 779 CB LEU A 46 115.212 -11.762 -0.111 1.00 0.00 C ATOM 780 CG LEU A 46 114.196 -12.655 0.563 1.00 0.00 C ATOM 781 CD1 LEU A 46 113.500 -11.905 1.647 1.00 0.00 C ATOM 782 CD2 LEU A 46 113.206 -13.176 -0.449 1.00 0.00 C ATOM 0 H LEU A 46 117.344 -11.064 -0.932 1.00 0.00 H new ATOM 0 HA LEU A 46 115.796 -10.362 1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 46 114.677 -10.959 -0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 46 115.719 -12.343 -0.881 1.00 0.00 H new ATOM 0 HG LEU A 46 114.710 -13.508 1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 46 112.769 -12.555 2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 46 114.230 -11.571 2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 46 112.991 -11.040 1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 46 112.480 -13.818 0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 46 112.689 -12.338 -0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 46 113.733 -13.749 -1.212 1.00 0.00 H new ATOM 794 N VAL A 47 116.985 -11.889 2.964 1.00 0.00 N ATOM 795 CA VAL A 47 117.572 -12.803 3.890 1.00 0.00 C ATOM 796 C VAL A 47 116.503 -13.812 4.311 1.00 0.00 C ATOM 797 O VAL A 47 115.410 -13.458 4.805 1.00 0.00 O ATOM 798 CB VAL A 47 118.172 -12.059 5.119 1.00 0.00 C ATOM 799 CG1 VAL A 47 118.760 -13.032 6.102 1.00 0.00 C ATOM 800 CG2 VAL A 47 119.230 -11.032 4.688 1.00 0.00 C ATOM 0 H VAL A 47 116.663 -11.013 3.375 1.00 0.00 H new ATOM 0 HA VAL A 47 118.401 -13.327 3.414 1.00 0.00 H new ATOM 0 HB VAL A 47 117.358 -11.523 5.607 1.00 0.00 H new ATOM 0 HG11 VAL A 47 119.172 -12.487 6.951 1.00 0.00 H new ATOM 0 HG12 VAL A 47 117.983 -13.712 6.450 1.00 0.00 H new ATOM 0 HG13 VAL A 47 119.552 -13.604 5.619 1.00 0.00 H new ATOM 0 HG21 VAL A 47 119.630 -10.530 5.569 1.00 0.00 H new ATOM 0 HG22 VAL A 47 120.038 -11.541 4.163 1.00 0.00 H new ATOM 0 HG23 VAL A 47 118.774 -10.296 4.026 1.00 0.00 H new ATOM 810 N LEU A 48 116.781 -15.054 4.074 1.00 0.00 N ATOM 811 CA LEU A 48 115.833 -16.074 4.358 1.00 0.00 C ATOM 812 C LEU A 48 115.612 -16.218 5.826 1.00 0.00 C ATOM 813 O LEU A 48 116.499 -15.896 6.637 1.00 0.00 O ATOM 814 CB LEU A 48 116.199 -17.361 3.674 1.00 0.00 C ATOM 815 CG LEU A 48 116.317 -17.248 2.152 1.00 0.00 C ATOM 816 CD1 LEU A 48 116.633 -18.587 1.547 1.00 0.00 C ATOM 817 CD2 LEU A 48 115.044 -16.644 1.527 1.00 0.00 C ATOM 0 H LEU A 48 117.663 -15.384 3.682 1.00 0.00 H new ATOM 0 HA LEU A 48 114.870 -15.777 3.942 1.00 0.00 H new ATOM 0 HB2 LEU A 48 117.148 -17.717 4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 48 115.449 -18.114 3.915 1.00 0.00 H new ATOM 0 HG LEU A 48 117.139 -16.568 1.931 1.00 0.00 H new ATOM 0 HD11 LEU A 48 116.713 -18.487 0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 48 117.578 -18.954 1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 48 115.838 -19.292 1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 48 115.165 -16.579 0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 48 114.189 -17.278 1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 48 114.877 -15.647 1.934 1.00 0.00 H new ATOM 829 N ASP A 49 114.397 -16.640 6.154 1.00 0.00 N ATOM 830 CA ASP A 49 113.886 -16.717 7.519 1.00 0.00 C ATOM 831 C ASP A 49 113.512 -15.301 8.013 1.00 0.00 C ATOM 832 O ASP A 49 113.286 -15.044 9.197 1.00 0.00 O ATOM 833 CB ASP A 49 114.850 -17.486 8.443 1.00 0.00 C ATOM 834 CG ASP A 49 114.305 -17.774 9.833 1.00 0.00 C ATOM 835 OD1 ASP A 49 113.284 -18.488 9.963 1.00 0.00 O ATOM 836 OD2 ASP A 49 114.919 -17.339 10.827 1.00 0.00 O ATOM 0 H ASP A 49 113.719 -16.948 5.457 1.00 0.00 H new ATOM 0 HA ASP A 49 112.968 -17.305 7.539 1.00 0.00 H new ATOM 0 HB2 ASP A 49 115.111 -18.431 7.967 1.00 0.00 H new ATOM 0 HB3 ASP A 49 115.772 -16.913 8.541 1.00 0.00 H new ATOM 841 N GLY A 50 113.480 -14.369 7.055 1.00 0.00 N ATOM 842 CA GLY A 50 112.976 -13.044 7.279 1.00 0.00 C ATOM 843 C GLY A 50 111.517 -12.998 6.951 1.00 0.00 C ATOM 844 O GLY A 50 111.094 -13.786 6.150 1.00 0.00 O ATOM 0 H GLY A 50 113.809 -14.531 6.103 1.00 0.00 H new ATOM 0 HA2 GLY A 50 113.134 -12.755 8.318 1.00 0.00 H new ATOM 0 HA3 GLY A 50 113.520 -12.328 6.663 1.00 0.00 H new ATOM 848 N PRO A 51 110.718 -12.018 7.416 1.00 0.00 N ATOM 849 CA PRO A 51 109.281 -12.079 7.233 1.00 0.00 C ATOM 850 C PRO A 51 108.931 -11.825 5.766 1.00 0.00 C ATOM 851 O PRO A 51 107.925 -12.293 5.255 1.00 0.00 O ATOM 852 CB PRO A 51 108.725 -11.039 8.231 1.00 0.00 C ATOM 853 CG PRO A 51 109.927 -10.330 8.804 1.00 0.00 C ATOM 854 CD PRO A 51 111.105 -10.710 7.951 1.00 0.00 C ATOM 0 HA PRO A 51 108.837 -13.053 7.440 1.00 0.00 H new ATOM 0 HB2 PRO A 51 108.059 -10.336 7.731 1.00 0.00 H new ATOM 0 HB3 PRO A 51 108.146 -11.523 9.017 1.00 0.00 H new ATOM 0 HG2 PRO A 51 109.778 -9.250 8.798 1.00 0.00 H new ATOM 0 HG3 PRO A 51 110.090 -10.623 9.841 1.00 0.00 H new ATOM 0 HD2 PRO A 51 111.278 -9.984 7.156 1.00 0.00 H new ATOM 0 HD3 PRO A 51 112.024 -10.769 8.535 1.00 0.00 H new ATOM 862 N ALA A 52 109.833 -11.114 5.099 1.00 0.00 N ATOM 863 CA ALA A 52 109.769 -10.853 3.680 1.00 0.00 C ATOM 864 C ALA A 52 109.862 -12.175 2.928 1.00 0.00 C ATOM 865 O ALA A 52 109.082 -12.437 2.026 1.00 0.00 O ATOM 866 CB ALA A 52 110.942 -9.970 3.295 1.00 0.00 C ATOM 0 H ALA A 52 110.647 -10.696 5.549 1.00 0.00 H new ATOM 0 HA ALA A 52 108.832 -10.355 3.429 1.00 0.00 H new ATOM 0 HB1 ALA A 52 110.907 -9.764 2.225 1.00 0.00 H new ATOM 0 HB2 ALA A 52 110.888 -9.032 3.847 1.00 0.00 H new ATOM 0 HB3 ALA A 52 111.875 -10.479 3.536 1.00 0.00 H new ATOM 872 N ALA A 53 110.804 -13.006 3.363 1.00 0.00 N ATOM 873 CA ALA A 53 111.078 -14.319 2.783 1.00 0.00 C ATOM 874 C ALA A 53 109.927 -15.236 3.006 1.00 0.00 C ATOM 875 O ALA A 53 109.473 -15.944 2.119 1.00 0.00 O ATOM 876 CB ALA A 53 112.295 -14.928 3.480 1.00 0.00 C ATOM 0 H ALA A 53 111.414 -12.780 4.149 1.00 0.00 H new ATOM 0 HA ALA A 53 111.254 -14.195 1.714 1.00 0.00 H new ATOM 0 HB1 ALA A 53 112.506 -15.908 3.053 1.00 0.00 H new ATOM 0 HB2 ALA A 53 113.158 -14.277 3.340 1.00 0.00 H new ATOM 0 HB3 ALA A 53 112.089 -15.033 4.545 1.00 0.00 H new ATOM 882 N LEU A 54 109.477 -15.194 4.199 1.00 0.00 N ATOM 883 CA LEU A 54 108.501 -16.056 4.711 1.00 0.00 C ATOM 884 C LEU A 54 107.118 -15.814 4.196 1.00 0.00 C ATOM 885 O LEU A 54 106.344 -16.759 4.004 1.00 0.00 O ATOM 886 CB LEU A 54 108.609 -15.968 6.133 1.00 0.00 C ATOM 887 CG LEU A 54 110.015 -16.359 6.568 1.00 0.00 C ATOM 888 CD1 LEU A 54 110.057 -16.238 7.939 1.00 0.00 C ATOM 889 CD2 LEU A 54 110.400 -17.776 6.132 1.00 0.00 C ATOM 0 H LEU A 54 109.804 -14.512 4.883 1.00 0.00 H new ATOM 0 HA LEU A 54 108.685 -17.073 4.366 1.00 0.00 H new ATOM 0 HB2 LEU A 54 108.386 -14.953 6.462 1.00 0.00 H new ATOM 0 HB3 LEU A 54 107.877 -16.624 6.604 1.00 0.00 H new ATOM 0 HG LEU A 54 110.740 -15.703 6.087 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.050 -16.509 8.298 1.00 0.00 H new ATOM 0 HD12 LEU A 54 109.838 -15.208 8.220 1.00 0.00 H new ATOM 0 HD13 LEU A 54 109.316 -16.901 8.386 1.00 0.00 H new ATOM 0 HD21 LEU A 54 111.412 -17.998 6.470 1.00 0.00 H new ATOM 0 HD22 LEU A 54 109.705 -18.493 6.570 1.00 0.00 H new ATOM 0 HD23 LEU A 54 110.357 -17.847 5.045 1.00 0.00 H new ATOM 901 N ASP A 55 106.784 -14.558 3.972 1.00 0.00 N ATOM 902 CA ASP A 55 105.509 -14.236 3.347 1.00 0.00 C ATOM 903 C ASP A 55 105.689 -14.358 1.861 1.00 0.00 C ATOM 904 O ASP A 55 104.748 -14.598 1.100 1.00 0.00 O ATOM 905 CB ASP A 55 105.071 -12.810 3.670 1.00 0.00 C ATOM 906 CG ASP A 55 103.606 -12.556 3.325 1.00 0.00 C ATOM 907 OD1 ASP A 55 103.264 -12.319 2.156 1.00 0.00 O ATOM 908 OD2 ASP A 55 102.757 -12.602 4.229 1.00 0.00 O ATOM 0 H ASP A 55 107.365 -13.753 4.208 1.00 0.00 H new ATOM 0 HA ASP A 55 104.745 -14.917 3.723 1.00 0.00 H new ATOM 0 HB2 ASP A 55 105.230 -12.616 4.731 1.00 0.00 H new ATOM 0 HB3 ASP A 55 105.697 -12.108 3.120 1.00 0.00 H new ATOM 913 N GLY A 56 106.947 -14.214 1.474 1.00 0.00 N ATOM 914 CA GLY A 56 107.370 -14.283 0.085 1.00 0.00 C ATOM 915 C GLY A 56 106.834 -13.169 -0.751 1.00 0.00 C ATOM 916 O GLY A 56 106.788 -13.253 -1.980 1.00 0.00 O ATOM 0 H GLY A 56 107.713 -14.044 2.126 1.00 0.00 H new ATOM 0 HA2 GLY A 56 108.459 -14.268 0.043 1.00 0.00 H new ATOM 0 HA3 GLY A 56 107.048 -15.234 -0.339 1.00 0.00 H new ATOM 920 N LYS A 57 106.475 -12.122 -0.095 1.00 0.00 N ATOM 921 CA LYS A 57 105.819 -11.024 -0.717 1.00 0.00 C ATOM 922 C LYS A 57 106.797 -9.895 -1.011 1.00 0.00 C ATOM 923 O LYS A 57 106.499 -8.988 -1.796 1.00 0.00 O ATOM 924 CB LYS A 57 104.757 -10.561 0.220 1.00 0.00 C ATOM 925 CG LYS A 57 103.799 -9.517 -0.329 1.00 0.00 C ATOM 926 CD LYS A 57 102.887 -10.060 -1.438 1.00 0.00 C ATOM 927 CE LYS A 57 101.767 -10.985 -0.916 1.00 0.00 C ATOM 928 NZ LYS A 57 102.236 -12.261 -0.308 1.00 0.00 N ATOM 0 H LYS A 57 106.631 -12.001 0.906 1.00 0.00 H new ATOM 0 HA LYS A 57 105.392 -11.331 -1.672 1.00 0.00 H new ATOM 0 HB2 LYS A 57 104.177 -11.427 0.538 1.00 0.00 H new ATOM 0 HB3 LYS A 57 105.237 -10.154 1.110 1.00 0.00 H new ATOM 0 HG2 LYS A 57 103.183 -9.134 0.485 1.00 0.00 H new ATOM 0 HG3 LYS A 57 104.372 -8.675 -0.718 1.00 0.00 H new ATOM 0 HD2 LYS A 57 102.437 -9.222 -1.970 1.00 0.00 H new ATOM 0 HD3 LYS A 57 103.493 -10.608 -2.160 1.00 0.00 H new ATOM 0 HE2 LYS A 57 101.183 -10.440 -0.175 1.00 0.00 H new ATOM 0 HE3 LYS A 57 101.095 -11.219 -1.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 101.556 -13.018 -0.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 103.167 -12.510 -0.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 102.313 -12.147 0.723 1.00 0.00 H new ATOM 942 N MET A 58 107.940 -9.953 -0.397 1.00 0.00 N ATOM 943 CA MET A 58 108.991 -8.989 -0.623 1.00 0.00 C ATOM 944 C MET A 58 110.193 -9.761 -1.058 1.00 0.00 C ATOM 945 O MET A 58 110.453 -10.843 -0.512 1.00 0.00 O ATOM 946 CB MET A 58 109.331 -8.208 0.638 1.00 0.00 C ATOM 947 CG MET A 58 110.521 -7.280 0.442 1.00 0.00 C ATOM 948 SD MET A 58 111.241 -6.710 2.004 1.00 0.00 S ATOM 949 CE MET A 58 109.901 -5.733 2.651 1.00 0.00 C ATOM 0 H MET A 58 108.178 -10.675 0.283 1.00 0.00 H new ATOM 0 HA MET A 58 108.667 -8.265 -1.371 1.00 0.00 H new ATOM 0 HB2 MET A 58 108.464 -7.623 0.945 1.00 0.00 H new ATOM 0 HB3 MET A 58 109.547 -8.906 1.447 1.00 0.00 H new ATOM 0 HG2 MET A 58 111.286 -7.797 -0.137 1.00 0.00 H new ATOM 0 HG3 MET A 58 110.208 -6.416 -0.144 1.00 0.00 H new ATOM 0 HE1 MET A 58 110.196 -5.297 3.605 1.00 0.00 H new ATOM 0 HE2 MET A 58 109.659 -4.936 1.948 1.00 0.00 H new ATOM 0 HE3 MET A 58 109.026 -6.367 2.797 1.00 0.00 H new ATOM 959 N GLU A 59 110.915 -9.248 -2.013 1.00 0.00 N ATOM 960 CA GLU A 59 112.036 -9.946 -2.567 1.00 0.00 C ATOM 961 C GLU A 59 113.080 -8.961 -2.983 1.00 0.00 C ATOM 962 O GLU A 59 112.821 -7.767 -3.110 1.00 0.00 O ATOM 963 CB GLU A 59 111.617 -10.763 -3.801 1.00 0.00 C ATOM 964 CG GLU A 59 110.607 -11.871 -3.543 1.00 0.00 C ATOM 965 CD GLU A 59 110.060 -12.431 -4.815 1.00 0.00 C ATOM 966 OE1 GLU A 59 110.658 -13.364 -5.384 1.00 0.00 O ATOM 967 OE2 GLU A 59 109.020 -11.919 -5.299 1.00 0.00 O ATOM 0 H GLU A 59 110.741 -8.333 -2.429 1.00 0.00 H new ATOM 0 HA GLU A 59 112.427 -10.621 -1.806 1.00 0.00 H new ATOM 0 HB2 GLU A 59 111.200 -10.081 -4.542 1.00 0.00 H new ATOM 0 HB3 GLU A 59 112.510 -11.205 -4.242 1.00 0.00 H new ATOM 0 HG2 GLU A 59 111.080 -12.668 -2.969 1.00 0.00 H new ATOM 0 HG3 GLU A 59 109.789 -11.483 -2.935 1.00 0.00 H new ATOM 974 N THR A 60 114.251 -9.467 -3.192 1.00 0.00 N ATOM 975 CA THR A 60 115.339 -8.718 -3.687 1.00 0.00 C ATOM 976 C THR A 60 114.917 -8.032 -4.997 1.00 0.00 C ATOM 977 O THR A 60 114.539 -8.716 -5.976 1.00 0.00 O ATOM 978 CB THR A 60 116.445 -9.694 -3.978 1.00 0.00 C ATOM 979 OG1 THR A 60 116.580 -10.597 -2.871 1.00 0.00 O ATOM 980 CG2 THR A 60 117.713 -8.980 -4.169 1.00 0.00 C ATOM 0 H THR A 60 114.475 -10.446 -3.014 1.00 0.00 H new ATOM 0 HA THR A 60 115.659 -7.961 -2.971 1.00 0.00 H new ATOM 0 HB THR A 60 116.203 -10.245 -4.887 1.00 0.00 H new ATOM 0 HG1 THR A 60 117.299 -11.237 -3.056 1.00 0.00 H new ATOM 0 HG21 THR A 60 118.506 -9.697 -4.379 1.00 0.00 H new ATOM 0 HG22 THR A 60 117.618 -8.288 -5.006 1.00 0.00 H new ATOM 0 HG23 THR A 60 117.957 -8.424 -3.264 1.00 0.00 H new ATOM 988 N GLY A 61 114.932 -6.721 -5.001 1.00 0.00 N ATOM 989 CA GLY A 61 114.493 -6.008 -6.166 1.00 0.00 C ATOM 990 C GLY A 61 113.374 -5.017 -5.887 1.00 0.00 C ATOM 991 O GLY A 61 112.865 -4.374 -6.811 1.00 0.00 O ATOM 0 H GLY A 61 115.239 -6.138 -4.222 1.00 0.00 H new ATOM 0 HA2 GLY A 61 115.341 -5.475 -6.596 1.00 0.00 H new ATOM 0 HA3 GLY A 61 114.154 -6.725 -6.914 1.00 0.00 H new ATOM 995 N ASP A 62 112.916 -4.941 -4.663 1.00 0.00 N ATOM 996 CA ASP A 62 111.968 -3.888 -4.311 1.00 0.00 C ATOM 997 C ASP A 62 112.608 -2.763 -3.565 1.00 0.00 C ATOM 998 O ASP A 62 113.693 -2.897 -3.010 1.00 0.00 O ATOM 999 CB ASP A 62 110.700 -4.366 -3.604 1.00 0.00 C ATOM 1000 CG ASP A 62 110.914 -5.313 -2.499 1.00 0.00 C ATOM 1001 OD1 ASP A 62 111.458 -4.924 -1.504 1.00 0.00 O ATOM 1002 OD2 ASP A 62 110.445 -6.470 -2.627 1.00 0.00 O ATOM 0 H ASP A 62 113.169 -5.573 -3.903 1.00 0.00 H new ATOM 0 HA ASP A 62 111.635 -3.511 -5.278 1.00 0.00 H new ATOM 0 HB2 ASP A 62 110.170 -3.496 -3.217 1.00 0.00 H new ATOM 0 HB3 ASP A 62 110.048 -4.835 -4.341 1.00 0.00 H new ATOM 1007 N VAL A 63 111.978 -1.631 -3.640 1.00 0.00 N ATOM 1008 CA VAL A 63 112.414 -0.459 -2.958 1.00 0.00 C ATOM 1009 C VAL A 63 111.423 -0.066 -1.876 1.00 0.00 C ATOM 1010 O VAL A 63 110.230 0.130 -2.137 1.00 0.00 O ATOM 1011 CB VAL A 63 112.792 0.716 -3.939 1.00 0.00 C ATOM 1012 CG1 VAL A 63 111.773 0.871 -5.023 1.00 0.00 C ATOM 1013 CG2 VAL A 63 112.983 2.046 -3.216 1.00 0.00 C ATOM 0 H VAL A 63 111.129 -1.497 -4.189 1.00 0.00 H new ATOM 0 HA VAL A 63 113.350 -0.695 -2.452 1.00 0.00 H new ATOM 0 HB VAL A 63 113.748 0.440 -4.385 1.00 0.00 H new ATOM 0 HG11 VAL A 63 112.064 1.689 -5.682 1.00 0.00 H new ATOM 0 HG12 VAL A 63 111.710 -0.053 -5.598 1.00 0.00 H new ATOM 0 HG13 VAL A 63 110.801 1.089 -4.580 1.00 0.00 H new ATOM 0 HG21 VAL A 63 113.242 2.819 -3.939 1.00 0.00 H new ATOM 0 HG22 VAL A 63 112.059 2.320 -2.707 1.00 0.00 H new ATOM 0 HG23 VAL A 63 113.785 1.950 -2.484 1.00 0.00 H new ATOM 1023 N ILE A 64 111.940 0.003 -0.675 1.00 0.00 N ATOM 1024 CA ILE A 64 111.214 0.309 0.512 1.00 0.00 C ATOM 1025 C ILE A 64 110.916 1.805 0.575 1.00 0.00 C ATOM 1026 O ILE A 64 111.871 2.689 0.663 1.00 0.00 O ATOM 1027 CB ILE A 64 111.981 -0.124 1.794 1.00 0.00 C ATOM 1028 CG1 ILE A 64 112.284 -1.626 1.766 1.00 0.00 C ATOM 1029 CG2 ILE A 64 111.203 0.242 3.064 1.00 0.00 C ATOM 1030 CD1 ILE A 64 111.058 -2.513 1.663 1.00 0.00 C ATOM 0 H ILE A 64 112.931 -0.163 -0.500 1.00 0.00 H new ATOM 0 HA ILE A 64 110.281 -0.253 0.475 1.00 0.00 H new ATOM 0 HB ILE A 64 112.925 0.421 1.811 1.00 0.00 H new ATOM 0 HG12 ILE A 64 112.941 -1.836 0.922 1.00 0.00 H new ATOM 0 HG13 ILE A 64 112.833 -1.890 2.670 1.00 0.00 H new ATOM 0 HG21 ILE A 64 111.768 -0.075 3.941 1.00 0.00 H new ATOM 0 HG22 ILE A 64 111.052 1.321 3.100 1.00 0.00 H new ATOM 0 HG23 ILE A 64 110.235 -0.260 3.055 1.00 0.00 H new ATOM 0 HD11 ILE A 64 111.366 -3.559 1.649 1.00 0.00 H new ATOM 0 HD12 ILE A 64 110.408 -2.337 2.520 1.00 0.00 H new ATOM 0 HD13 ILE A 64 110.518 -2.282 0.745 1.00 0.00 H new ATOM 1042 N VAL A 65 109.616 2.071 0.543 1.00 0.00 N ATOM 1043 CA VAL A 65 109.037 3.385 0.522 1.00 0.00 C ATOM 1044 C VAL A 65 108.569 3.797 1.928 1.00 0.00 C ATOM 1045 O VAL A 65 108.935 4.837 2.419 1.00 0.00 O ATOM 1046 CB VAL A 65 107.812 3.401 -0.450 1.00 0.00 C ATOM 1047 CG1 VAL A 65 107.194 4.773 -0.579 1.00 0.00 C ATOM 1048 CG2 VAL A 65 108.189 2.859 -1.817 1.00 0.00 C ATOM 0 H VAL A 65 108.913 1.332 0.531 1.00 0.00 H new ATOM 0 HA VAL A 65 109.795 4.090 0.182 1.00 0.00 H new ATOM 0 HB VAL A 65 107.060 2.747 -0.010 1.00 0.00 H new ATOM 0 HG11 VAL A 65 106.348 4.728 -1.265 1.00 0.00 H new ATOM 0 HG12 VAL A 65 106.851 5.111 0.399 1.00 0.00 H new ATOM 0 HG13 VAL A 65 107.937 5.472 -0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 65 107.317 2.883 -2.471 1.00 0.00 H new ATOM 0 HG22 VAL A 65 108.981 3.473 -2.246 1.00 0.00 H new ATOM 0 HG23 VAL A 65 108.540 1.832 -1.717 1.00 0.00 H new ATOM 1058 N SER A 66 107.756 2.991 2.572 1.00 0.00 N ATOM 1059 CA SER A 66 107.223 3.381 3.885 1.00 0.00 C ATOM 1060 C SER A 66 107.099 2.187 4.837 1.00 0.00 C ATOM 1061 O SER A 66 107.093 1.036 4.387 1.00 0.00 O ATOM 1062 CB SER A 66 105.888 4.122 3.726 1.00 0.00 C ATOM 1063 OG SER A 66 106.046 5.292 2.918 1.00 0.00 O ATOM 0 H SER A 66 107.447 2.081 2.231 1.00 0.00 H new ATOM 0 HA SER A 66 107.938 4.065 4.342 1.00 0.00 H new ATOM 0 HB2 SER A 66 105.151 3.459 3.272 1.00 0.00 H new ATOM 0 HB3 SER A 66 105.504 4.402 4.707 1.00 0.00 H new ATOM 0 HG SER A 66 105.183 5.747 2.829 1.00 0.00 H new ATOM 1069 N VAL A 67 106.989 2.466 6.149 1.00 0.00 N ATOM 1070 CA VAL A 67 106.959 1.420 7.157 1.00 0.00 C ATOM 1071 C VAL A 67 105.974 1.740 8.318 1.00 0.00 C ATOM 1072 O VAL A 67 106.281 2.502 9.246 1.00 0.00 O ATOM 1073 CB VAL A 67 108.408 1.093 7.686 1.00 0.00 C ATOM 1074 CG1 VAL A 67 109.096 2.311 8.246 1.00 0.00 C ATOM 1075 CG2 VAL A 67 108.393 -0.004 8.726 1.00 0.00 C ATOM 0 H VAL A 67 106.920 3.412 6.524 1.00 0.00 H new ATOM 0 HA VAL A 67 106.576 0.522 6.672 1.00 0.00 H new ATOM 0 HB VAL A 67 108.973 0.746 6.820 1.00 0.00 H new ATOM 0 HG11 VAL A 67 110.091 2.037 8.598 1.00 0.00 H new ATOM 0 HG12 VAL A 67 109.182 3.070 7.468 1.00 0.00 H new ATOM 0 HG13 VAL A 67 108.513 2.708 9.077 1.00 0.00 H new ATOM 0 HG21 VAL A 67 109.411 -0.199 9.064 1.00 0.00 H new ATOM 0 HG22 VAL A 67 107.782 0.307 9.574 1.00 0.00 H new ATOM 0 HG23 VAL A 67 107.975 -0.912 8.291 1.00 0.00 H new ATOM 1085 N ASN A 68 104.788 1.166 8.214 1.00 0.00 N ATOM 1086 CA ASN A 68 103.716 1.224 9.215 1.00 0.00 C ATOM 1087 C ASN A 68 103.167 2.626 9.413 1.00 0.00 C ATOM 1088 O ASN A 68 102.162 3.011 8.803 1.00 0.00 O ATOM 1089 CB ASN A 68 104.181 0.593 10.544 1.00 0.00 C ATOM 1090 CG ASN A 68 103.068 0.289 11.530 1.00 0.00 C ATOM 1091 OD1 ASN A 68 102.038 0.949 11.575 1.00 0.00 O ATOM 1092 ND2 ASN A 68 103.288 -0.715 12.334 1.00 0.00 N ATOM 0 H ASN A 68 104.526 0.619 7.394 1.00 0.00 H new ATOM 0 HA ASN A 68 102.884 0.634 8.830 1.00 0.00 H new ATOM 0 HB2 ASN A 68 104.714 -0.332 10.324 1.00 0.00 H new ATOM 0 HB3 ASN A 68 104.894 1.266 11.019 1.00 0.00 H new ATOM 0 HD21 ASN A 68 102.589 -0.973 13.030 1.00 0.00 H new ATOM 0 HD22 ASN A 68 104.159 -1.241 12.266 1.00 0.00 H new ATOM 1099 N ASP A 69 103.829 3.362 10.233 1.00 0.00 N ATOM 1100 CA ASP A 69 103.447 4.713 10.590 1.00 0.00 C ATOM 1101 C ASP A 69 104.638 5.644 10.475 1.00 0.00 C ATOM 1102 O ASP A 69 104.509 6.865 10.596 1.00 0.00 O ATOM 1103 CB ASP A 69 102.908 4.747 12.023 1.00 0.00 C ATOM 1104 CG ASP A 69 103.949 4.354 13.057 1.00 0.00 C ATOM 1105 OD1 ASP A 69 104.675 5.235 13.552 1.00 0.00 O ATOM 1106 OD2 ASP A 69 104.063 3.161 13.392 1.00 0.00 O ATOM 0 H ASP A 69 104.680 3.046 10.697 1.00 0.00 H new ATOM 0 HA ASP A 69 102.667 5.044 9.904 1.00 0.00 H new ATOM 0 HB2 ASP A 69 102.544 5.750 12.245 1.00 0.00 H new ATOM 0 HB3 ASP A 69 102.054 4.074 12.101 1.00 0.00 H new ATOM 1111 N THR A 70 105.787 5.075 10.234 1.00 0.00 N ATOM 1112 CA THR A 70 106.996 5.821 10.125 1.00 0.00 C ATOM 1113 C THR A 70 107.316 6.051 8.653 1.00 0.00 C ATOM 1114 O THR A 70 107.245 5.122 7.815 1.00 0.00 O ATOM 1115 CB THR A 70 108.155 5.074 10.828 1.00 0.00 C ATOM 1116 OG1 THR A 70 107.804 4.836 12.203 1.00 0.00 O ATOM 1117 CG2 THR A 70 109.452 5.872 10.770 1.00 0.00 C ATOM 0 H THR A 70 105.904 4.070 10.108 1.00 0.00 H new ATOM 0 HA THR A 70 106.872 6.786 10.616 1.00 0.00 H new ATOM 0 HB THR A 70 108.314 4.130 10.308 1.00 0.00 H new ATOM 0 HG1 THR A 70 108.536 4.361 12.650 1.00 0.00 H new ATOM 0 HG21 THR A 70 110.244 5.317 11.273 1.00 0.00 H new ATOM 0 HG22 THR A 70 109.731 6.038 9.729 1.00 0.00 H new ATOM 0 HG23 THR A 70 109.311 6.832 11.266 1.00 0.00 H new ATOM 1125 N CYS A 71 107.647 7.262 8.334 1.00 0.00 N ATOM 1126 CA CYS A 71 107.948 7.619 7.001 1.00 0.00 C ATOM 1127 C CYS A 71 109.434 7.361 6.768 1.00 0.00 C ATOM 1128 O CYS A 71 110.269 8.252 6.881 1.00 0.00 O ATOM 1129 CB CYS A 71 107.577 9.089 6.763 1.00 0.00 C ATOM 1130 SG CYS A 71 107.555 9.604 5.030 1.00 0.00 S ATOM 0 H CYS A 71 107.714 8.030 9.002 1.00 0.00 H new ATOM 0 HA CYS A 71 107.371 7.023 6.294 1.00 0.00 H new ATOM 0 HB2 CYS A 71 106.593 9.273 7.193 1.00 0.00 H new ATOM 0 HB3 CYS A 71 108.284 9.718 7.304 1.00 0.00 H new ATOM 0 HG CYS A 71 106.543 10.394 4.825 1.00 0.00 H new ATOM 1136 N VAL A 72 109.760 6.106 6.469 1.00 0.00 N ATOM 1137 CA VAL A 72 111.149 5.702 6.215 1.00 0.00 C ATOM 1138 C VAL A 72 111.574 6.178 4.813 1.00 0.00 C ATOM 1139 O VAL A 72 112.714 6.009 4.366 1.00 0.00 O ATOM 1140 CB VAL A 72 111.323 4.167 6.353 1.00 0.00 C ATOM 1141 CG1 VAL A 72 110.677 3.397 5.212 1.00 0.00 C ATOM 1142 CG2 VAL A 72 112.762 3.782 6.537 1.00 0.00 C ATOM 0 H VAL A 72 109.083 5.347 6.395 1.00 0.00 H new ATOM 0 HA VAL A 72 111.791 6.169 6.962 1.00 0.00 H new ATOM 0 HB VAL A 72 110.790 3.880 7.259 1.00 0.00 H new ATOM 0 HG11 VAL A 72 110.831 2.328 5.361 1.00 0.00 H new ATOM 0 HG12 VAL A 72 109.608 3.610 5.188 1.00 0.00 H new ATOM 0 HG13 VAL A 72 111.128 3.700 4.267 1.00 0.00 H new ATOM 0 HG21 VAL A 72 112.840 2.699 6.630 1.00 0.00 H new ATOM 0 HG22 VAL A 72 113.341 4.115 5.676 1.00 0.00 H new ATOM 0 HG23 VAL A 72 113.152 4.252 7.440 1.00 0.00 H new ATOM 1152 N LEU A 73 110.622 6.759 4.152 1.00 0.00 N ATOM 1153 CA LEU A 73 110.768 7.348 2.880 1.00 0.00 C ATOM 1154 C LEU A 73 111.723 8.508 3.027 1.00 0.00 C ATOM 1155 O LEU A 73 111.390 9.529 3.647 1.00 0.00 O ATOM 1156 CB LEU A 73 109.385 7.845 2.535 1.00 0.00 C ATOM 1157 CG LEU A 73 109.100 8.330 1.158 1.00 0.00 C ATOM 1158 CD1 LEU A 73 109.473 7.280 0.140 1.00 0.00 C ATOM 1159 CD2 LEU A 73 107.627 8.628 1.093 1.00 0.00 C ATOM 0 H LEU A 73 109.672 6.833 4.517 1.00 0.00 H new ATOM 0 HA LEU A 73 111.152 6.674 2.115 1.00 0.00 H new ATOM 0 HB2 LEU A 73 108.686 7.036 2.747 1.00 0.00 H new ATOM 0 HB3 LEU A 73 109.150 8.658 3.222 1.00 0.00 H new ATOM 0 HG LEU A 73 109.685 9.222 0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 73 109.258 7.652 -0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 73 110.536 7.054 0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 73 108.895 6.374 0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 73 107.372 8.988 0.096 1.00 0.00 H new ATOM 0 HD22 LEU A 73 107.062 7.720 1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 73 107.377 9.392 1.830 1.00 0.00 H new ATOM 1171 N GLY A 74 112.892 8.350 2.452 1.00 0.00 N ATOM 1172 CA GLY A 74 113.913 9.341 2.577 1.00 0.00 C ATOM 1173 C GLY A 74 114.333 9.530 4.016 1.00 0.00 C ATOM 1174 O GLY A 74 114.519 10.658 4.470 1.00 0.00 O ATOM 0 H GLY A 74 113.152 7.538 1.892 1.00 0.00 H new ATOM 0 HA2 GLY A 74 114.778 9.050 1.980 1.00 0.00 H new ATOM 0 HA3 GLY A 74 113.552 10.288 2.175 1.00 0.00 H new ATOM 1178 N HIS A 75 114.407 8.445 4.745 1.00 0.00 N ATOM 1179 CA HIS A 75 114.834 8.484 6.110 1.00 0.00 C ATOM 1180 C HIS A 75 116.331 8.570 6.075 1.00 0.00 C ATOM 1181 O HIS A 75 116.945 8.107 5.119 1.00 0.00 O ATOM 1182 CB HIS A 75 114.422 7.188 6.819 1.00 0.00 C ATOM 1183 CG HIS A 75 113.855 7.378 8.179 1.00 0.00 C ATOM 1184 ND1 HIS A 75 112.678 8.045 8.451 1.00 0.00 N ATOM 1185 CD2 HIS A 75 114.327 6.965 9.355 1.00 0.00 C ATOM 1186 CE1 HIS A 75 112.488 8.018 9.766 1.00 0.00 C ATOM 1187 NE2 HIS A 75 113.467 7.369 10.371 1.00 0.00 N ATOM 0 H HIS A 75 114.172 7.513 4.404 1.00 0.00 H new ATOM 0 HA HIS A 75 114.389 9.325 6.642 1.00 0.00 H new ATOM 0 HB2 HIS A 75 113.687 6.671 6.203 1.00 0.00 H new ATOM 0 HB3 HIS A 75 115.293 6.536 6.891 1.00 0.00 H new ATOM 0 HD1 HIS A 75 112.063 8.481 7.764 1.00 0.00 H new ATOM 0 HD2 HIS A 75 115.238 6.403 9.497 1.00 0.00 H new ATOM 0 HE1 HIS A 75 111.646 8.467 10.272 1.00 0.00 H new ATOM 1195 N THR A 76 116.919 9.193 7.052 1.00 0.00 N ATOM 1196 CA THR A 76 118.345 9.227 7.107 1.00 0.00 C ATOM 1197 C THR A 76 118.832 7.839 7.521 1.00 0.00 C ATOM 1198 O THR A 76 118.165 7.216 8.353 1.00 0.00 O ATOM 1199 CB THR A 76 118.785 10.287 8.142 1.00 0.00 C ATOM 1200 OG1 THR A 76 118.305 11.580 7.733 1.00 0.00 O ATOM 1201 CG2 THR A 76 120.295 10.340 8.333 1.00 0.00 C ATOM 0 H THR A 76 116.440 9.678 7.811 1.00 0.00 H new ATOM 0 HA THR A 76 118.770 9.491 6.139 1.00 0.00 H new ATOM 0 HB THR A 76 118.353 10.000 9.101 1.00 0.00 H new ATOM 0 HG1 THR A 76 118.581 12.254 8.389 1.00 0.00 H new ATOM 0 HG21 THR A 76 120.542 11.103 9.071 1.00 0.00 H new ATOM 0 HG22 THR A 76 120.652 9.370 8.680 1.00 0.00 H new ATOM 0 HG23 THR A 76 120.773 10.585 7.385 1.00 0.00 H new ATOM 1209 N HIS A 77 119.929 7.355 6.965 1.00 0.00 N ATOM 1210 CA HIS A 77 120.415 5.999 7.251 1.00 0.00 C ATOM 1211 C HIS A 77 120.553 5.754 8.703 1.00 0.00 C ATOM 1212 O HIS A 77 120.035 4.777 9.235 1.00 0.00 O ATOM 1213 CB HIS A 77 121.720 5.734 6.541 1.00 0.00 C ATOM 1214 CG HIS A 77 122.227 4.332 6.690 1.00 0.00 C ATOM 1215 ND1 HIS A 77 123.363 3.987 7.385 1.00 0.00 N ATOM 1216 CD2 HIS A 77 121.729 3.185 6.197 1.00 0.00 C ATOM 1217 CE1 HIS A 77 123.509 2.663 7.292 1.00 0.00 C ATOM 1218 NE2 HIS A 77 122.543 2.129 6.581 1.00 0.00 N ATOM 0 H HIS A 77 120.509 7.877 6.308 1.00 0.00 H new ATOM 0 HA HIS A 77 119.666 5.304 6.873 1.00 0.00 H new ATOM 0 HB2 HIS A 77 121.594 5.952 5.480 1.00 0.00 H new ATOM 0 HB3 HIS A 77 122.474 6.423 6.921 1.00 0.00 H new ATOM 0 HD1 HIS A 77 123.982 4.627 7.882 1.00 0.00 H new ATOM 0 HD2 HIS A 77 120.836 3.099 5.596 1.00 0.00 H new ATOM 0 HE1 HIS A 77 124.316 2.104 7.743 1.00 0.00 H new ATOM 1226 N ALA A 78 121.175 6.692 9.336 1.00 0.00 N ATOM 1227 CA ALA A 78 121.422 6.638 10.777 1.00 0.00 C ATOM 1228 C ALA A 78 120.110 6.480 11.539 1.00 0.00 C ATOM 1229 O ALA A 78 120.033 5.752 12.537 1.00 0.00 O ATOM 1230 CB ALA A 78 122.161 7.884 11.243 1.00 0.00 C ATOM 0 H ALA A 78 121.537 7.532 8.884 1.00 0.00 H new ATOM 0 HA ALA A 78 122.049 5.770 10.984 1.00 0.00 H new ATOM 0 HB1 ALA A 78 122.335 7.824 12.317 1.00 0.00 H new ATOM 0 HB2 ALA A 78 123.117 7.955 10.724 1.00 0.00 H new ATOM 0 HB3 ALA A 78 121.561 8.767 11.021 1.00 0.00 H new ATOM 1236 N GLN A 79 119.075 7.109 11.017 1.00 0.00 N ATOM 1237 CA GLN A 79 117.780 7.062 11.615 1.00 0.00 C ATOM 1238 C GLN A 79 117.094 5.724 11.347 1.00 0.00 C ATOM 1239 O GLN A 79 116.617 5.071 12.281 1.00 0.00 O ATOM 1240 CB GLN A 79 116.913 8.203 11.113 1.00 0.00 C ATOM 1241 CG GLN A 79 117.409 9.585 11.491 1.00 0.00 C ATOM 1242 CD GLN A 79 117.538 9.795 12.987 1.00 0.00 C ATOM 1243 OE1 GLN A 79 116.803 9.204 13.794 1.00 0.00 O ATOM 1244 NE2 GLN A 79 118.464 10.632 13.365 1.00 0.00 N ATOM 0 H GLN A 79 119.122 7.665 10.163 1.00 0.00 H new ATOM 0 HA GLN A 79 117.911 7.169 12.692 1.00 0.00 H new ATOM 0 HB2 GLN A 79 116.845 8.140 10.027 1.00 0.00 H new ATOM 0 HB3 GLN A 79 115.904 8.074 11.503 1.00 0.00 H new ATOM 0 HG2 GLN A 79 118.379 9.754 11.024 1.00 0.00 H new ATOM 0 HG3 GLN A 79 116.725 10.331 11.085 1.00 0.00 H new ATOM 0 HE21 GLN A 79 119.047 11.097 12.669 1.00 0.00 H new ATOM 0 HE22 GLN A 79 118.606 10.822 14.357 1.00 0.00 H new ATOM 1253 N VAL A 80 117.066 5.314 10.075 1.00 0.00 N ATOM 1254 CA VAL A 80 116.419 4.070 9.682 1.00 0.00 C ATOM 1255 C VAL A 80 117.066 2.865 10.357 1.00 0.00 C ATOM 1256 O VAL A 80 116.367 2.017 10.926 1.00 0.00 O ATOM 1257 CB VAL A 80 116.304 3.873 8.121 1.00 0.00 C ATOM 1258 CG1 VAL A 80 117.642 3.965 7.434 1.00 0.00 C ATOM 1259 CG2 VAL A 80 115.652 2.536 7.816 1.00 0.00 C ATOM 0 H VAL A 80 117.486 5.831 9.303 1.00 0.00 H new ATOM 0 HA VAL A 80 115.392 4.148 10.040 1.00 0.00 H new ATOM 0 HB VAL A 80 115.685 4.682 7.733 1.00 0.00 H new ATOM 0 HG11 VAL A 80 117.511 3.823 6.361 1.00 0.00 H new ATOM 0 HG12 VAL A 80 118.079 4.946 7.619 1.00 0.00 H new ATOM 0 HG13 VAL A 80 118.305 3.193 7.824 1.00 0.00 H new ATOM 0 HG21 VAL A 80 115.576 2.406 6.736 1.00 0.00 H new ATOM 0 HG22 VAL A 80 116.256 1.732 8.236 1.00 0.00 H new ATOM 0 HG23 VAL A 80 114.655 2.508 8.256 1.00 0.00 H new ATOM 1269 N VAL A 81 118.392 2.836 10.377 1.00 0.00 N ATOM 1270 CA VAL A 81 119.109 1.724 10.992 1.00 0.00 C ATOM 1271 C VAL A 81 118.827 1.663 12.484 1.00 0.00 C ATOM 1272 O VAL A 81 118.602 0.595 13.028 1.00 0.00 O ATOM 1273 CB VAL A 81 120.653 1.707 10.687 1.00 0.00 C ATOM 1274 CG1 VAL A 81 121.380 2.917 11.246 1.00 0.00 C ATOM 1275 CG2 VAL A 81 121.298 0.431 11.196 1.00 0.00 C ATOM 0 H VAL A 81 118.989 3.561 9.979 1.00 0.00 H new ATOM 0 HA VAL A 81 118.722 0.818 10.525 1.00 0.00 H new ATOM 0 HB VAL A 81 120.746 1.747 9.602 1.00 0.00 H new ATOM 0 HG11 VAL A 81 122.440 2.848 11.004 1.00 0.00 H new ATOM 0 HG12 VAL A 81 120.966 3.825 10.808 1.00 0.00 H new ATOM 0 HG13 VAL A 81 121.256 2.948 12.329 1.00 0.00 H new ATOM 0 HG21 VAL A 81 122.364 0.448 10.971 1.00 0.00 H new ATOM 0 HG22 VAL A 81 121.156 0.356 12.274 1.00 0.00 H new ATOM 0 HG23 VAL A 81 120.838 -0.429 10.709 1.00 0.00 H new ATOM 1285 N LYS A 82 118.759 2.821 13.109 1.00 0.00 N ATOM 1286 CA LYS A 82 118.465 2.923 14.516 1.00 0.00 C ATOM 1287 C LYS A 82 117.107 2.279 14.858 1.00 0.00 C ATOM 1288 O LYS A 82 117.006 1.524 15.822 1.00 0.00 O ATOM 1289 CB LYS A 82 118.554 4.410 14.916 1.00 0.00 C ATOM 1290 CG LYS A 82 118.209 4.793 16.369 1.00 0.00 C ATOM 1291 CD LYS A 82 116.706 5.001 16.603 1.00 0.00 C ATOM 1292 CE LYS A 82 116.137 6.131 15.731 1.00 0.00 C ATOM 1293 NZ LYS A 82 116.829 7.426 15.952 1.00 0.00 N ATOM 0 H LYS A 82 118.907 3.719 12.649 1.00 0.00 H new ATOM 0 HA LYS A 82 119.195 2.362 15.100 1.00 0.00 H new ATOM 0 HB2 LYS A 82 119.570 4.749 14.714 1.00 0.00 H new ATOM 0 HB3 LYS A 82 117.893 4.973 14.257 1.00 0.00 H new ATOM 0 HG2 LYS A 82 118.569 4.012 17.038 1.00 0.00 H new ATOM 0 HG3 LYS A 82 118.740 5.708 16.632 1.00 0.00 H new ATOM 0 HD2 LYS A 82 116.174 4.074 16.387 1.00 0.00 H new ATOM 0 HD3 LYS A 82 116.532 5.232 17.654 1.00 0.00 H new ATOM 0 HE2 LYS A 82 116.222 5.852 14.681 1.00 0.00 H new ATOM 0 HE3 LYS A 82 115.075 6.250 15.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 116.580 8.087 15.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 116.535 7.825 16.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 117.858 7.274 15.956 1.00 0.00 H new ATOM 1307 N ILE A 83 116.098 2.521 14.033 1.00 0.00 N ATOM 1308 CA ILE A 83 114.756 2.012 14.310 1.00 0.00 C ATOM 1309 C ILE A 83 114.730 0.519 14.068 1.00 0.00 C ATOM 1310 O ILE A 83 114.375 -0.287 14.939 1.00 0.00 O ATOM 1311 CB ILE A 83 113.694 2.686 13.396 1.00 0.00 C ATOM 1312 CG1 ILE A 83 113.662 4.195 13.627 1.00 0.00 C ATOM 1313 CG2 ILE A 83 112.303 2.077 13.614 1.00 0.00 C ATOM 1314 CD1 ILE A 83 112.678 4.916 12.743 1.00 0.00 C ATOM 0 H ILE A 83 116.178 3.062 13.172 1.00 0.00 H new ATOM 0 HA ILE A 83 114.515 2.239 15.348 1.00 0.00 H new ATOM 0 HB ILE A 83 113.981 2.501 12.361 1.00 0.00 H new ATOM 0 HG12 ILE A 83 113.412 4.390 14.670 1.00 0.00 H new ATOM 0 HG13 ILE A 83 114.659 4.602 13.456 1.00 0.00 H new ATOM 0 HG21 ILE A 83 111.583 2.570 12.960 1.00 0.00 H new ATOM 0 HG22 ILE A 83 112.332 1.012 13.384 1.00 0.00 H new ATOM 0 HG23 ILE A 83 112.004 2.216 14.653 1.00 0.00 H new ATOM 0 HD11 ILE A 83 112.708 5.984 12.960 1.00 0.00 H new ATOM 0 HD12 ILE A 83 112.939 4.751 11.698 1.00 0.00 H new ATOM 0 HD13 ILE A 83 111.674 4.536 12.930 1.00 0.00 H new ATOM 1326 N PHE A 84 115.206 0.174 12.912 1.00 0.00 N ATOM 1327 CA PHE A 84 115.193 -1.161 12.411 1.00 0.00 C ATOM 1328 C PHE A 84 116.061 -2.130 13.227 1.00 0.00 C ATOM 1329 O PHE A 84 115.762 -3.313 13.309 1.00 0.00 O ATOM 1330 CB PHE A 84 115.565 -1.130 10.940 1.00 0.00 C ATOM 1331 CG PHE A 84 114.421 -0.742 10.005 1.00 0.00 C ATOM 1332 CD1 PHE A 84 113.792 0.488 10.112 1.00 0.00 C ATOM 1333 CD2 PHE A 84 113.990 -1.610 9.017 1.00 0.00 C ATOM 1334 CE1 PHE A 84 112.761 0.840 9.263 1.00 0.00 C ATOM 1335 CE2 PHE A 84 112.959 -1.265 8.163 1.00 0.00 C ATOM 1336 CZ PHE A 84 112.345 -0.039 8.285 1.00 0.00 C ATOM 0 H PHE A 84 115.630 0.842 12.268 1.00 0.00 H new ATOM 0 HA PHE A 84 114.185 -1.562 12.517 1.00 0.00 H new ATOM 0 HB2 PHE A 84 116.386 -0.426 10.801 1.00 0.00 H new ATOM 0 HB3 PHE A 84 115.936 -2.114 10.651 1.00 0.00 H new ATOM 0 HD1 PHE A 84 114.114 1.184 10.873 1.00 0.00 H new ATOM 0 HD2 PHE A 84 114.467 -2.573 8.911 1.00 0.00 H new ATOM 0 HE1 PHE A 84 112.281 1.802 9.365 1.00 0.00 H new ATOM 0 HE2 PHE A 84 112.635 -1.957 7.400 1.00 0.00 H new ATOM 0 HZ PHE A 84 111.541 0.233 7.618 1.00 0.00 H new ATOM 1346 N GLN A 85 117.129 -1.634 13.821 1.00 0.00 N ATOM 1347 CA GLN A 85 117.968 -2.461 14.680 1.00 0.00 C ATOM 1348 C GLN A 85 117.447 -2.502 16.116 1.00 0.00 C ATOM 1349 O GLN A 85 117.736 -3.437 16.860 1.00 0.00 O ATOM 1350 CB GLN A 85 119.437 -2.027 14.619 1.00 0.00 C ATOM 1351 CG GLN A 85 120.068 -2.241 13.252 1.00 0.00 C ATOM 1352 CD GLN A 85 120.159 -3.702 12.853 1.00 0.00 C ATOM 1353 OE1 GLN A 85 119.120 -4.221 12.257 1.00 0.00 O flip ATOM 1354 NE2 GLN A 85 121.169 -4.364 13.103 1.00 0.00 N flip ATOM 0 H GLN A 85 117.439 -0.667 13.728 1.00 0.00 H new ATOM 0 HA GLN A 85 117.916 -3.480 14.296 1.00 0.00 H new ATOM 0 HB2 GLN A 85 119.509 -0.972 14.884 1.00 0.00 H new ATOM 0 HB3 GLN A 85 120.005 -2.583 15.365 1.00 0.00 H new ATOM 0 HG2 GLN A 85 119.487 -1.703 12.503 1.00 0.00 H new ATOM 0 HG3 GLN A 85 121.068 -1.808 13.250 1.00 0.00 H new ATOM 0 HE21 GLN A 85 121.963 -3.926 13.570 1.00 0.00 H new ATOM 0 HE22 GLN A 85 121.210 -5.349 12.843 1.00 0.00 H new ATOM 1363 N SER A 86 116.669 -1.498 16.510 1.00 0.00 N ATOM 1364 CA SER A 86 116.072 -1.483 17.846 1.00 0.00 C ATOM 1365 C SER A 86 114.847 -2.381 17.904 1.00 0.00 C ATOM 1366 O SER A 86 114.353 -2.708 18.988 1.00 0.00 O ATOM 1367 CB SER A 86 115.690 -0.068 18.267 1.00 0.00 C ATOM 1368 OG SER A 86 116.833 0.768 18.348 1.00 0.00 O ATOM 0 H SER A 86 116.437 -0.691 15.931 1.00 0.00 H new ATOM 0 HA SER A 86 116.823 -1.862 18.539 1.00 0.00 H new ATOM 0 HB2 SER A 86 114.981 0.349 17.551 1.00 0.00 H new ATOM 0 HB3 SER A 86 115.187 -0.096 19.234 1.00 0.00 H new ATOM 0 HG SER A 86 117.033 1.135 17.462 1.00 0.00 H new ATOM 1374 N ILE A 87 114.362 -2.754 16.735 1.00 0.00 N ATOM 1375 CA ILE A 87 113.237 -3.622 16.582 1.00 0.00 C ATOM 1376 C ILE A 87 113.297 -4.908 17.458 1.00 0.00 C ATOM 1377 O ILE A 87 114.346 -5.559 17.559 1.00 0.00 O ATOM 1378 CB ILE A 87 113.024 -4.002 15.100 1.00 0.00 C ATOM 1379 CG1 ILE A 87 112.425 -2.841 14.320 1.00 0.00 C ATOM 1380 CG2 ILE A 87 112.191 -5.224 14.950 1.00 0.00 C ATOM 1381 CD1 ILE A 87 111.838 -3.258 12.990 1.00 0.00 C ATOM 0 H ILE A 87 114.760 -2.446 15.848 1.00 0.00 H new ATOM 0 HA ILE A 87 112.384 -3.046 16.941 1.00 0.00 H new ATOM 0 HB ILE A 87 114.006 -4.227 14.684 1.00 0.00 H new ATOM 0 HG12 ILE A 87 111.648 -2.370 14.922 1.00 0.00 H new ATOM 0 HG13 ILE A 87 113.196 -2.089 14.150 1.00 0.00 H new ATOM 0 HG21 ILE A 87 112.068 -5.453 13.891 1.00 0.00 H new ATOM 0 HG22 ILE A 87 112.680 -6.061 15.448 1.00 0.00 H new ATOM 0 HG23 ILE A 87 111.213 -5.055 15.401 1.00 0.00 H new ATOM 0 HD11 ILE A 87 111.427 -2.384 12.484 1.00 0.00 H new ATOM 0 HD12 ILE A 87 112.618 -3.703 12.372 1.00 0.00 H new ATOM 0 HD13 ILE A 87 111.045 -3.988 13.155 1.00 0.00 H new ATOM 1393 N PRO A 88 112.166 -5.259 18.102 1.00 0.00 N ATOM 1394 CA PRO A 88 112.015 -6.466 18.892 1.00 0.00 C ATOM 1395 C PRO A 88 111.288 -7.579 18.093 1.00 0.00 C ATOM 1396 O PRO A 88 110.586 -7.326 17.095 1.00 0.00 O ATOM 1397 CB PRO A 88 111.125 -5.968 20.040 1.00 0.00 C ATOM 1398 CG PRO A 88 110.313 -4.832 19.463 1.00 0.00 C ATOM 1399 CD PRO A 88 110.915 -4.491 18.119 1.00 0.00 C ATOM 0 HA PRO A 88 112.962 -6.906 19.205 1.00 0.00 H new ATOM 0 HB2 PRO A 88 110.478 -6.764 20.408 1.00 0.00 H new ATOM 0 HB3 PRO A 88 111.727 -5.630 20.884 1.00 0.00 H new ATOM 0 HG2 PRO A 88 109.268 -5.122 19.354 1.00 0.00 H new ATOM 0 HG3 PRO A 88 110.336 -3.967 20.126 1.00 0.00 H new ATOM 0 HD2 PRO A 88 110.256 -4.778 17.299 1.00 0.00 H new ATOM 0 HD3 PRO A 88 111.099 -3.421 18.021 1.00 0.00 H new ATOM 1407 N ILE A 89 111.520 -8.795 18.498 1.00 0.00 N ATOM 1408 CA ILE A 89 110.896 -9.967 17.896 1.00 0.00 C ATOM 1409 C ILE A 89 109.385 -9.971 18.204 1.00 0.00 C ATOM 1410 O ILE A 89 108.983 -9.679 19.344 1.00 0.00 O ATOM 1411 CB ILE A 89 111.493 -11.254 18.515 1.00 0.00 C ATOM 1412 CG1 ILE A 89 113.022 -11.176 18.583 1.00 0.00 C ATOM 1413 CG2 ILE A 89 111.033 -12.490 17.750 1.00 0.00 C ATOM 1414 CD1 ILE A 89 113.683 -12.344 19.250 1.00 0.00 C ATOM 0 H ILE A 89 112.155 -9.017 19.265 1.00 0.00 H new ATOM 0 HA ILE A 89 111.072 -9.935 16.821 1.00 0.00 H new ATOM 0 HB ILE A 89 111.123 -11.339 19.537 1.00 0.00 H new ATOM 0 HG12 ILE A 89 113.412 -11.086 17.569 1.00 0.00 H new ATOM 0 HG13 ILE A 89 113.302 -10.266 19.114 1.00 0.00 H new ATOM 0 HG21 ILE A 89 111.466 -13.381 18.204 1.00 0.00 H new ATOM 0 HG22 ILE A 89 109.946 -12.556 17.786 1.00 0.00 H new ATOM 0 HG23 ILE A 89 111.358 -12.417 16.712 1.00 0.00 H new ATOM 0 HD11 ILE A 89 114.763 -12.199 19.250 1.00 0.00 H new ATOM 0 HD12 ILE A 89 113.327 -12.426 20.277 1.00 0.00 H new ATOM 0 HD13 ILE A 89 113.440 -13.258 18.708 1.00 0.00 H new ATOM 1426 N GLY A 90 108.565 -10.319 17.224 1.00 0.00 N ATOM 1427 CA GLY A 90 107.146 -10.408 17.480 1.00 0.00 C ATOM 1428 C GLY A 90 106.433 -9.130 17.153 1.00 0.00 C ATOM 1429 O GLY A 90 105.302 -8.911 17.576 1.00 0.00 O ATOM 0 H GLY A 90 108.852 -10.538 16.270 1.00 0.00 H new ATOM 0 HA2 GLY A 90 106.722 -11.221 16.890 1.00 0.00 H new ATOM 0 HA3 GLY A 90 106.982 -10.656 18.529 1.00 0.00 H new ATOM 1433 N ALA A 91 107.103 -8.259 16.456 1.00 0.00 N ATOM 1434 CA ALA A 91 106.550 -6.927 16.230 1.00 0.00 C ATOM 1435 C ALA A 91 105.849 -6.815 14.858 1.00 0.00 C ATOM 1436 O ALA A 91 105.746 -7.793 14.144 1.00 0.00 O ATOM 1437 CB ALA A 91 107.612 -5.869 16.461 1.00 0.00 C ATOM 0 H ALA A 91 108.017 -8.428 16.035 1.00 0.00 H new ATOM 0 HA ALA A 91 105.762 -6.748 16.962 1.00 0.00 H new ATOM 0 HB1 ALA A 91 107.185 -4.881 16.289 1.00 0.00 H new ATOM 0 HB2 ALA A 91 107.973 -5.934 17.487 1.00 0.00 H new ATOM 0 HB3 ALA A 91 108.442 -6.030 15.773 1.00 0.00 H new ATOM 1443 N SER A 92 105.385 -5.637 14.485 1.00 0.00 N ATOM 1444 CA SER A 92 104.545 -5.501 13.268 1.00 0.00 C ATOM 1445 C SER A 92 104.721 -4.154 12.547 1.00 0.00 C ATOM 1446 O SER A 92 104.774 -3.104 13.187 1.00 0.00 O ATOM 1447 CB SER A 92 103.094 -5.702 13.721 1.00 0.00 C ATOM 1448 OG SER A 92 102.818 -4.934 14.890 1.00 0.00 O ATOM 0 H SER A 92 105.560 -4.765 14.984 1.00 0.00 H new ATOM 0 HA SER A 92 104.848 -6.245 12.532 1.00 0.00 H new ATOM 0 HB2 SER A 92 102.414 -5.411 12.920 1.00 0.00 H new ATOM 0 HB3 SER A 92 102.914 -6.758 13.923 1.00 0.00 H new ATOM 0 HG SER A 92 101.887 -5.075 15.162 1.00 0.00 H new ATOM 1454 N VAL A 93 104.810 -4.207 11.202 1.00 0.00 N ATOM 1455 CA VAL A 93 104.891 -3.021 10.335 1.00 0.00 C ATOM 1456 C VAL A 93 104.366 -3.316 8.960 1.00 0.00 C ATOM 1457 O VAL A 93 104.481 -4.427 8.468 1.00 0.00 O ATOM 1458 CB VAL A 93 106.305 -2.391 10.192 1.00 0.00 C ATOM 1459 CG1 VAL A 93 106.754 -1.657 11.447 1.00 0.00 C ATOM 1460 CG2 VAL A 93 107.328 -3.421 9.753 1.00 0.00 C ATOM 0 H VAL A 93 104.828 -5.086 10.685 1.00 0.00 H new ATOM 0 HA VAL A 93 104.271 -2.287 10.850 1.00 0.00 H new ATOM 0 HB VAL A 93 106.230 -1.638 9.407 1.00 0.00 H new ATOM 0 HG11 VAL A 93 107.748 -1.238 11.288 1.00 0.00 H new ATOM 0 HG12 VAL A 93 106.053 -0.853 11.669 1.00 0.00 H new ATOM 0 HG13 VAL A 93 106.784 -2.354 12.285 1.00 0.00 H new ATOM 0 HG21 VAL A 93 108.306 -2.947 9.663 1.00 0.00 H new ATOM 0 HG22 VAL A 93 107.379 -4.221 10.492 1.00 0.00 H new ATOM 0 HG23 VAL A 93 107.036 -3.836 8.789 1.00 0.00 H new ATOM 1470 N ASP A 94 103.797 -2.319 8.367 1.00 0.00 N ATOM 1471 CA ASP A 94 103.232 -2.378 7.049 1.00 0.00 C ATOM 1472 C ASP A 94 104.152 -1.661 6.068 1.00 0.00 C ATOM 1473 O ASP A 94 104.248 -0.445 6.069 1.00 0.00 O ATOM 1474 CB ASP A 94 101.857 -1.705 7.063 1.00 0.00 C ATOM 1475 CG ASP A 94 100.767 -2.518 7.742 1.00 0.00 C ATOM 1476 OD1 ASP A 94 100.764 -2.627 8.981 1.00 0.00 O ATOM 1477 OD2 ASP A 94 99.889 -3.059 7.046 1.00 0.00 O ATOM 0 H ASP A 94 103.707 -1.400 8.801 1.00 0.00 H new ATOM 0 HA ASP A 94 103.124 -3.417 6.739 1.00 0.00 H new ATOM 0 HB2 ASP A 94 101.942 -0.742 7.567 1.00 0.00 H new ATOM 0 HB3 ASP A 94 101.555 -1.502 6.036 1.00 0.00 H new ATOM 1482 N LEU A 95 104.804 -2.408 5.245 1.00 0.00 N ATOM 1483 CA LEU A 95 105.758 -1.870 4.287 1.00 0.00 C ATOM 1484 C LEU A 95 105.102 -1.553 2.962 1.00 0.00 C ATOM 1485 O LEU A 95 104.470 -2.414 2.333 1.00 0.00 O ATOM 1486 CB LEU A 95 106.939 -2.837 3.990 1.00 0.00 C ATOM 1487 CG LEU A 95 107.905 -3.210 5.123 1.00 0.00 C ATOM 1488 CD1 LEU A 95 108.412 -1.998 5.854 1.00 0.00 C ATOM 1489 CD2 LEU A 95 107.308 -4.208 6.071 1.00 0.00 C ATOM 0 H LEU A 95 104.702 -3.422 5.203 1.00 0.00 H new ATOM 0 HA LEU A 95 106.140 -0.965 4.760 1.00 0.00 H new ATOM 0 HB2 LEU A 95 106.515 -3.763 3.602 1.00 0.00 H new ATOM 0 HB3 LEU A 95 107.530 -2.396 3.187 1.00 0.00 H new ATOM 0 HG LEU A 95 108.763 -3.688 4.650 1.00 0.00 H new ATOM 0 HD11 LEU A 95 109.092 -2.309 6.647 1.00 0.00 H new ATOM 0 HD12 LEU A 95 108.941 -1.348 5.157 1.00 0.00 H new ATOM 0 HD13 LEU A 95 107.571 -1.457 6.289 1.00 0.00 H new ATOM 0 HD21 LEU A 95 108.028 -4.441 6.855 1.00 0.00 H new ATOM 0 HD22 LEU A 95 106.406 -3.790 6.519 1.00 0.00 H new ATOM 0 HD23 LEU A 95 107.055 -5.119 5.529 1.00 0.00 H new ATOM 1501 N GLU A 96 105.251 -0.330 2.555 1.00 0.00 N ATOM 1502 CA GLU A 96 104.849 0.116 1.244 1.00 0.00 C ATOM 1503 C GLU A 96 106.098 0.083 0.403 1.00 0.00 C ATOM 1504 O GLU A 96 107.101 0.721 0.764 1.00 0.00 O ATOM 1505 CB GLU A 96 104.288 1.531 1.317 1.00 0.00 C ATOM 1506 CG GLU A 96 103.009 1.619 2.122 1.00 0.00 C ATOM 1507 CD GLU A 96 102.567 3.024 2.382 1.00 0.00 C ATOM 1508 OE1 GLU A 96 102.105 3.704 1.452 1.00 0.00 O ATOM 1509 OE2 GLU A 96 102.648 3.466 3.549 1.00 0.00 O ATOM 0 H GLU A 96 105.662 0.405 3.131 1.00 0.00 H new ATOM 0 HA GLU A 96 104.067 -0.515 0.823 1.00 0.00 H new ATOM 0 HB2 GLU A 96 105.035 2.190 1.759 1.00 0.00 H new ATOM 0 HB3 GLU A 96 104.101 1.894 0.307 1.00 0.00 H new ATOM 0 HG2 GLU A 96 102.218 1.089 1.592 1.00 0.00 H new ATOM 0 HG3 GLU A 96 103.152 1.109 3.074 1.00 0.00 H new ATOM 1516 N LEU A 97 106.092 -0.705 -0.635 1.00 0.00 N ATOM 1517 CA LEU A 97 107.281 -0.899 -1.425 1.00 0.00 C ATOM 1518 C LEU A 97 106.976 -1.019 -2.903 1.00 0.00 C ATOM 1519 O LEU A 97 105.847 -1.349 -3.295 1.00 0.00 O ATOM 1520 CB LEU A 97 108.069 -2.132 -0.949 1.00 0.00 C ATOM 1521 CG LEU A 97 107.378 -3.509 -1.041 1.00 0.00 C ATOM 1522 CD1 LEU A 97 108.382 -4.559 -0.793 1.00 0.00 C ATOM 1523 CD2 LEU A 97 106.280 -3.670 -0.021 1.00 0.00 C ATOM 0 H LEU A 97 105.276 -1.226 -0.957 1.00 0.00 H new ATOM 0 HA LEU A 97 107.895 -0.009 -1.284 1.00 0.00 H new ATOM 0 HB2 LEU A 97 108.993 -2.182 -1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 97 108.351 -1.968 0.091 1.00 0.00 H new ATOM 0 HG LEU A 97 106.938 -3.589 -2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 97 107.907 -5.538 -0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 97 109.172 -4.491 -1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 97 108.810 -4.426 0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 97 105.826 -4.655 -0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 97 106.697 -3.569 0.981 1.00 0.00 H new ATOM 0 HD23 LEU A 97 105.522 -2.902 -0.178 1.00 0.00 H new ATOM 1535 N CYS A 98 107.975 -0.771 -3.707 1.00 0.00 N ATOM 1536 CA CYS A 98 107.855 -0.892 -5.135 1.00 0.00 C ATOM 1537 C CYS A 98 108.865 -1.926 -5.666 1.00 0.00 C ATOM 1538 O CYS A 98 110.067 -1.698 -5.672 1.00 0.00 O ATOM 1539 CB CYS A 98 108.034 0.476 -5.807 1.00 0.00 C ATOM 1540 SG CYS A 98 106.889 1.747 -5.192 1.00 0.00 S ATOM 0 H CYS A 98 108.899 -0.478 -3.389 1.00 0.00 H new ATOM 0 HA CYS A 98 106.854 -1.247 -5.381 1.00 0.00 H new ATOM 0 HB2 CYS A 98 109.058 0.816 -5.652 1.00 0.00 H new ATOM 0 HB3 CYS A 98 107.895 0.364 -6.882 1.00 0.00 H new ATOM 0 HG CYS A 98 106.695 2.640 -6.116 1.00 0.00 H new ATOM 1546 N ARG A 99 108.358 -3.062 -6.080 1.00 0.00 N ATOM 1547 CA ARG A 99 109.156 -4.166 -6.587 1.00 0.00 C ATOM 1548 C ARG A 99 109.415 -3.944 -8.062 1.00 0.00 C ATOM 1549 O ARG A 99 108.564 -3.429 -8.759 1.00 0.00 O ATOM 1550 CB ARG A 99 108.388 -5.490 -6.397 1.00 0.00 C ATOM 1551 CG ARG A 99 109.150 -6.742 -6.811 1.00 0.00 C ATOM 1552 CD ARG A 99 110.050 -7.276 -5.693 1.00 0.00 C ATOM 1553 NE ARG A 99 109.503 -8.508 -5.135 1.00 0.00 N ATOM 1554 CZ ARG A 99 108.469 -8.584 -4.327 1.00 0.00 C ATOM 1555 NH1 ARG A 99 108.195 -7.591 -3.506 1.00 0.00 N ATOM 1556 NH2 ARG A 99 107.836 -9.723 -4.196 1.00 0.00 N ATOM 0 H ARG A 99 107.356 -3.255 -6.076 1.00 0.00 H new ATOM 0 HA ARG A 99 110.100 -4.218 -6.045 1.00 0.00 H new ATOM 0 HB2 ARG A 99 108.109 -5.583 -5.347 1.00 0.00 H new ATOM 0 HB3 ARG A 99 107.462 -5.441 -6.970 1.00 0.00 H new ATOM 0 HG2 ARG A 99 108.440 -7.516 -7.103 1.00 0.00 H new ATOM 0 HG3 ARG A 99 109.758 -6.520 -7.688 1.00 0.00 H new ATOM 0 HD2 ARG A 99 111.051 -7.460 -6.082 1.00 0.00 H new ATOM 0 HD3 ARG A 99 110.146 -6.526 -4.908 1.00 0.00 H new ATOM 0 HE ARG A 99 109.961 -9.382 -5.393 1.00 0.00 H new ATOM 0 HH11 ARG A 99 108.786 -6.760 -3.496 1.00 0.00 H new ATOM 0 HH12 ARG A 99 107.392 -7.653 -2.880 1.00 0.00 H new ATOM 0 HH21 ARG A 99 108.146 -10.542 -4.719 1.00 0.00 H new ATOM 0 HH22 ARG A 99 107.033 -9.791 -3.571 1.00 0.00 H new ATOM 1570 N GLY A 100 110.565 -4.320 -8.528 1.00 0.00 N ATOM 1571 CA GLY A 100 110.849 -4.180 -9.933 1.00 0.00 C ATOM 1572 C GLY A 100 111.936 -3.186 -10.177 1.00 0.00 C ATOM 1573 O GLY A 100 112.203 -2.801 -11.326 1.00 0.00 O ATOM 0 H GLY A 100 111.318 -4.722 -7.969 1.00 0.00 H new ATOM 0 HA2 GLY A 100 111.140 -5.147 -10.344 1.00 0.00 H new ATOM 0 HA3 GLY A 100 109.946 -3.869 -10.458 1.00 0.00 H new ATOM 1577 N TYR A 101 112.564 -2.784 -9.115 1.00 0.00 N ATOM 1578 CA TYR A 101 113.634 -1.853 -9.159 1.00 0.00 C ATOM 1579 C TYR A 101 114.897 -2.690 -9.357 1.00 0.00 C ATOM 1580 O TYR A 101 115.105 -3.676 -8.636 1.00 0.00 O ATOM 1581 CB TYR A 101 113.662 -1.090 -7.830 1.00 0.00 C ATOM 1582 CG TYR A 101 114.131 0.335 -7.956 1.00 0.00 C ATOM 1583 CD1 TYR A 101 113.320 1.281 -8.558 1.00 0.00 C ATOM 1584 CD2 TYR A 101 115.357 0.742 -7.473 1.00 0.00 C ATOM 1585 CE1 TYR A 101 113.717 2.589 -8.682 1.00 0.00 C ATOM 1586 CE2 TYR A 101 115.766 2.056 -7.590 1.00 0.00 C ATOM 1587 CZ TYR A 101 114.938 2.976 -8.198 1.00 0.00 C ATOM 1588 OH TYR A 101 115.343 4.284 -8.333 1.00 0.00 O ATOM 0 H TYR A 101 112.336 -3.106 -8.174 1.00 0.00 H new ATOM 0 HA TYR A 101 113.540 -1.118 -9.959 1.00 0.00 H new ATOM 0 HB2 TYR A 101 112.662 -1.096 -7.397 1.00 0.00 H new ATOM 0 HB3 TYR A 101 114.314 -1.617 -7.133 1.00 0.00 H new ATOM 0 HD1 TYR A 101 112.354 0.984 -8.938 1.00 0.00 H new ATOM 0 HD2 TYR A 101 116.007 0.023 -6.996 1.00 0.00 H new ATOM 0 HE1 TYR A 101 113.069 3.310 -9.159 1.00 0.00 H new ATOM 0 HE2 TYR A 101 116.729 2.361 -7.208 1.00 0.00 H new ATOM 0 HH TYR A 101 116.232 4.394 -7.936 1.00 0.00 H new ATOM 2091 N GLU B 158 123.794 0.715 3.425 1.00 0.00 N ATOM 2092 CA GLU B 158 123.619 -0.686 3.793 1.00 0.00 C ATOM 2093 C GLU B 158 123.129 -0.936 5.228 1.00 0.00 C ATOM 2094 O GLU B 158 123.904 -0.973 6.200 1.00 0.00 O ATOM 2095 CB GLU B 158 124.813 -1.563 3.398 1.00 0.00 C ATOM 2096 CG GLU B 158 126.165 -1.113 3.912 1.00 0.00 C ATOM 2097 CD GLU B 158 127.256 -2.029 3.424 1.00 0.00 C ATOM 2098 OE1 GLU B 158 127.614 -1.952 2.238 1.00 0.00 O ATOM 2099 OE2 GLU B 158 127.724 -2.890 4.212 1.00 0.00 O ATOM 0 HA GLU B 158 122.779 -1.013 3.179 1.00 0.00 H new ATOM 0 HB2 GLU B 158 124.629 -2.576 3.756 1.00 0.00 H new ATOM 0 HB3 GLU B 158 124.858 -1.613 2.310 1.00 0.00 H new ATOM 0 HG2 GLU B 158 126.364 -0.094 3.580 1.00 0.00 H new ATOM 0 HG3 GLU B 158 126.158 -1.098 5.002 1.00 0.00 H new ATOM 2106 N THR B 159 121.842 -1.106 5.344 1.00 0.00 N ATOM 2107 CA THR B 159 121.209 -1.444 6.579 1.00 0.00 C ATOM 2108 C THR B 159 120.919 -2.957 6.542 1.00 0.00 C ATOM 2109 O THR B 159 120.271 -3.452 5.613 1.00 0.00 O ATOM 2110 CB THR B 159 119.867 -0.674 6.725 1.00 0.00 C ATOM 2111 OG1 THR B 159 120.035 0.667 6.284 1.00 0.00 O ATOM 2112 CG2 THR B 159 119.393 -0.642 8.180 1.00 0.00 C ATOM 0 H THR B 159 121.193 -1.010 4.563 1.00 0.00 H new ATOM 0 HA THR B 159 121.852 -1.180 7.419 1.00 0.00 H new ATOM 0 HB THR B 159 119.123 -1.193 6.120 1.00 0.00 H new ATOM 0 HG1 THR B 159 120.965 0.943 6.422 1.00 0.00 H new ATOM 0 HG21 THR B 159 118.452 -0.096 8.244 1.00 0.00 H new ATOM 0 HG22 THR B 159 119.246 -1.661 8.537 1.00 0.00 H new ATOM 0 HG23 THR B 159 120.143 -0.146 8.796 1.00 0.00 H new ATOM 2120 N GLN B 160 121.456 -3.685 7.469 1.00 0.00 N ATOM 2121 CA GLN B 160 121.170 -5.094 7.566 1.00 0.00 C ATOM 2122 C GLN B 160 120.138 -5.292 8.636 1.00 0.00 C ATOM 2123 O GLN B 160 120.388 -4.978 9.801 1.00 0.00 O ATOM 2124 CB GLN B 160 122.449 -5.886 7.842 1.00 0.00 C ATOM 2125 CG GLN B 160 122.246 -7.342 8.216 1.00 0.00 C ATOM 2126 CD GLN B 160 123.560 -8.056 8.382 1.00 0.00 C ATOM 2127 OE1 GLN B 160 124.086 -8.639 7.435 1.00 0.00 O ATOM 2128 NE2 GLN B 160 124.124 -7.979 9.554 1.00 0.00 N ATOM 0 H GLN B 160 122.100 -3.331 8.177 1.00 0.00 H new ATOM 0 HA GLN B 160 120.774 -5.469 6.622 1.00 0.00 H new ATOM 0 HB2 GLN B 160 123.082 -5.841 6.956 1.00 0.00 H new ATOM 0 HB3 GLN B 160 122.994 -5.394 8.648 1.00 0.00 H new ATOM 0 HG2 GLN B 160 121.677 -7.405 9.143 1.00 0.00 H new ATOM 0 HG3 GLN B 160 121.656 -7.838 7.445 1.00 0.00 H new ATOM 0 HE21 GLN B 160 123.655 -7.486 10.314 1.00 0.00 H new ATOM 0 HE22 GLN B 160 125.034 -8.411 9.711 1.00 0.00 H new ATOM 2137 N VAL B 161 118.977 -5.763 8.249 1.00 0.00 N ATOM 2138 CA VAL B 161 117.885 -5.897 9.169 1.00 0.00 C ATOM 2139 C VAL B 161 117.357 -7.299 9.136 1.00 0.00 C ATOM 2140 O VAL B 161 116.797 -7.764 10.137 1.00 0.00 O ATOM 2141 CB VAL B 161 116.725 -4.899 8.895 1.00 0.00 C ATOM 2142 CG1 VAL B 161 117.207 -3.491 8.922 1.00 0.00 C ATOM 2143 CG2 VAL B 161 116.055 -5.155 7.574 1.00 0.00 C ATOM 2144 OXT VAL B 161 117.530 -7.966 8.112 1.00 0.00 O ATOM 0 H VAL B 161 118.768 -6.060 7.296 1.00 0.00 H new ATOM 0 HA VAL B 161 118.281 -5.662 10.157 1.00 0.00 H new ATOM 0 HB VAL B 161 115.998 -5.055 9.692 1.00 0.00 H new ATOM 0 HG11 VAL B 161 116.373 -2.817 8.727 1.00 0.00 H new ATOM 0 HG12 VAL B 161 117.631 -3.270 9.902 1.00 0.00 H new ATOM 0 HG13 VAL B 161 117.971 -3.353 8.157 1.00 0.00 H new ATOM 0 HG21 VAL B 161 115.252 -4.433 7.427 1.00 0.00 H new ATOM 0 HG22 VAL B 161 116.785 -5.054 6.770 1.00 0.00 H new ATOM 0 HG23 VAL B 161 115.642 -6.164 7.565 1.00 0.00 H new