USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 591 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 Single : A 8 SER OG : rot -25:sc= 0.14 USER MOD Single : A 9 MET CE :methyl -155:sc= -0.203 (180deg=-1.08) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -69:sc= 0.529 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -105:sc= -0.0998 (180deg=-1.58!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -94:sc= 0.309 USER MOD Single : A 28 SER OG : rot 51:sc= 0.0129 USER MOD Single : A 30 THR OG1 : rot -170:sc= -1.05 USER MOD Single : A 33 ASN : amide:sc= -0.346 X(o=-0.35,f=-0.14) USER MOD Single : A 35 LYS NZ :NH3+ -153:sc= -0.131 (180deg=-0.604) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -3.18 K(o=-3.2,f=-4) USER MOD Single : A 49 GLN : amide:sc= -2.32 K(o=-2.3,f=-12!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc=-0.00889 K(o=-0.0089,f=-0.85) USER MOD Single : A 63 THR OG1 : rot 57:sc= 1.01 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot -158:sc= 0.032 USER MOD Single : A 68 ASN : amide:sc= -0.077 X(o=-0.077,f=-0.0033) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 72:sc= -0.574 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -0.0853 X(o=-0.085,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 99 N SER A 8 -4.018 10.215 -16.972 1.00 0.00 N ATOM 100 CA SER A 8 -5.007 10.817 -16.085 1.00 0.00 C ATOM 101 C SER A 8 -6.110 11.500 -16.888 1.00 0.00 C ATOM 102 O SER A 8 -5.864 12.048 -17.962 1.00 0.00 O ATOM 103 CB SER A 8 -4.338 11.828 -15.152 1.00 0.00 C ATOM 104 OG SER A 8 -3.583 12.777 -15.886 1.00 0.00 O ATOM 0 HA SER A 8 -5.455 10.023 -15.487 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.097 12.341 -14.562 1.00 0.00 H new ATOM 0 HB3 SER A 8 -3.688 11.305 -14.450 1.00 0.00 H new ATOM 0 HG SER A 8 -3.321 12.391 -16.748 1.00 0.00 H new ATOM 110 N MET A 9 -7.328 11.463 -16.357 1.00 0.00 N ATOM 111 CA MET A 9 -8.470 12.079 -17.022 1.00 0.00 C ATOM 112 C MET A 9 -9.408 12.725 -16.007 1.00 0.00 C ATOM 113 O MET A 9 -9.682 12.154 -14.952 1.00 0.00 O ATOM 114 CB MET A 9 -9.231 11.038 -17.846 1.00 0.00 C ATOM 115 CG MET A 9 -10.552 11.548 -18.398 1.00 0.00 C ATOM 116 SD MET A 9 -11.149 10.566 -19.788 1.00 0.00 S ATOM 117 CE MET A 9 -9.903 10.932 -21.021 1.00 0.00 C ATOM 0 H MET A 9 -7.549 11.013 -15.469 1.00 0.00 H new ATOM 0 HA MET A 9 -8.094 12.855 -17.688 1.00 0.00 H new ATOM 0 HB2 MET A 9 -8.602 10.712 -18.674 1.00 0.00 H new ATOM 0 HB3 MET A 9 -9.420 10.162 -17.225 1.00 0.00 H new ATOM 0 HG2 MET A 9 -11.300 11.541 -17.605 1.00 0.00 H new ATOM 0 HG3 MET A 9 -10.433 12.584 -18.715 1.00 0.00 H new ATOM 0 HE1 MET A 9 -10.324 10.791 -22.017 1.00 0.00 H new ATOM 0 HE2 MET A 9 -9.573 11.965 -20.909 1.00 0.00 H new ATOM 0 HE3 MET A 9 -9.053 10.263 -20.889 1.00 0.00 H new ATOM 127 N GLN A 10 -9.894 13.919 -16.332 1.00 0.00 N ATOM 128 CA GLN A 10 -10.799 14.641 -15.447 1.00 0.00 C ATOM 129 C GLN A 10 -12.246 14.487 -15.904 1.00 0.00 C ATOM 130 O GLN A 10 -12.534 14.509 -17.101 1.00 0.00 O ATOM 131 CB GLN A 10 -10.423 16.123 -15.397 1.00 0.00 C ATOM 132 CG GLN A 10 -9.415 16.458 -14.309 1.00 0.00 C ATOM 133 CD GLN A 10 -8.655 17.739 -14.592 1.00 0.00 C ATOM 134 OE1 GLN A 10 -9.251 18.800 -14.782 1.00 0.00 O ATOM 135 NE2 GLN A 10 -7.331 17.647 -14.623 1.00 0.00 N ATOM 0 H GLN A 10 -9.676 14.406 -17.201 1.00 0.00 H new ATOM 0 HA GLN A 10 -10.705 14.215 -14.448 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -10.014 16.418 -16.363 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -11.326 16.713 -15.239 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -9.934 16.551 -13.355 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -8.708 15.635 -14.209 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.878 16.748 -14.460 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -6.766 18.476 -14.810 1.00 0.00 H new ATOM 144 N ILE A 11 -13.151 14.331 -14.944 1.00 0.00 N ATOM 145 CA ILE A 11 -14.568 14.175 -15.249 1.00 0.00 C ATOM 146 C ILE A 11 -15.409 15.202 -14.499 1.00 0.00 C ATOM 147 O ILE A 11 -14.936 15.837 -13.556 1.00 0.00 O ATOM 148 CB ILE A 11 -15.067 12.761 -14.895 1.00 0.00 C ATOM 149 CG1 ILE A 11 -15.049 12.556 -13.379 1.00 0.00 C ATOM 150 CG2 ILE A 11 -14.214 11.709 -15.588 1.00 0.00 C ATOM 151 CD1 ILE A 11 -15.539 11.191 -12.948 1.00 0.00 C ATOM 0 H ILE A 11 -12.929 14.309 -13.949 1.00 0.00 H new ATOM 0 HA ILE A 11 -14.679 14.333 -16.322 1.00 0.00 H new ATOM 0 HB ILE A 11 -16.094 12.655 -15.245 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -14.032 12.700 -13.013 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.668 13.320 -12.910 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -14.579 10.715 -15.328 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -14.273 11.846 -16.668 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -13.178 11.811 -15.266 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -15.499 11.116 -11.861 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -16.567 11.051 -13.283 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -14.905 10.421 -13.388 1.00 0.00 H new ATOM 163 N PHE A 12 -16.659 15.358 -14.922 1.00 0.00 N ATOM 164 CA PHE A 12 -17.567 16.307 -14.289 1.00 0.00 C ATOM 165 C PHE A 12 -18.692 15.580 -13.558 1.00 0.00 C ATOM 166 O PHE A 12 -19.372 14.729 -14.132 1.00 0.00 O ATOM 167 CB PHE A 12 -18.155 17.258 -15.335 1.00 0.00 C ATOM 168 CG PHE A 12 -17.123 18.111 -16.016 1.00 0.00 C ATOM 169 CD1 PHE A 12 -16.145 18.760 -15.278 1.00 0.00 C ATOM 170 CD2 PHE A 12 -17.131 18.265 -17.392 1.00 0.00 C ATOM 171 CE1 PHE A 12 -15.195 19.546 -15.903 1.00 0.00 C ATOM 172 CE2 PHE A 12 -16.184 19.050 -18.022 1.00 0.00 C ATOM 173 CZ PHE A 12 -15.214 19.691 -17.276 1.00 0.00 C ATOM 0 H PHE A 12 -17.066 14.840 -15.700 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.998 16.885 -13.561 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -18.687 16.675 -16.087 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -18.890 17.904 -14.855 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -16.125 18.650 -14.204 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -17.887 17.766 -17.980 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -14.438 20.047 -15.317 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -16.202 19.162 -19.096 1.00 0.00 H new ATOM 0 HZ PHE A 12 -14.472 20.304 -17.766 1.00 0.00 H new ATOM 183 N VAL A 13 -18.881 15.921 -12.287 1.00 0.00 N ATOM 184 CA VAL A 13 -19.923 15.301 -11.477 1.00 0.00 C ATOM 185 C VAL A 13 -20.794 16.355 -10.803 1.00 0.00 C ATOM 186 O VAL A 13 -20.307 17.406 -10.386 1.00 0.00 O ATOM 187 CB VAL A 13 -19.321 14.382 -10.397 1.00 0.00 C ATOM 188 CG1 VAL A 13 -20.418 13.600 -9.690 1.00 0.00 C ATOM 189 CG2 VAL A 13 -18.296 13.441 -11.011 1.00 0.00 C ATOM 0 H VAL A 13 -18.327 16.623 -11.796 1.00 0.00 H new ATOM 0 HA VAL A 13 -20.536 14.704 -12.152 1.00 0.00 H new ATOM 0 HB VAL A 13 -18.815 15.002 -9.657 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -19.974 12.956 -8.931 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -21.112 14.294 -9.217 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -20.954 12.989 -10.416 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -17.880 12.799 -10.234 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -18.777 12.826 -11.772 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -17.495 14.023 -11.467 1.00 0.00 H new ATOM 199 N LYS A 14 -22.087 16.067 -10.699 1.00 0.00 N ATOM 200 CA LYS A 14 -23.029 16.988 -10.074 1.00 0.00 C ATOM 201 C LYS A 14 -23.420 16.505 -8.681 1.00 0.00 C ATOM 202 O LYS A 14 -23.559 15.304 -8.445 1.00 0.00 O ATOM 203 CB LYS A 14 -24.279 17.139 -10.943 1.00 0.00 C ATOM 204 CG LYS A 14 -24.192 18.281 -11.941 1.00 0.00 C ATOM 205 CD LYS A 14 -23.645 17.812 -13.278 1.00 0.00 C ATOM 206 CE LYS A 14 -23.007 18.957 -14.051 1.00 0.00 C ATOM 207 NZ LYS A 14 -24.010 19.714 -14.850 1.00 0.00 N ATOM 0 H LYS A 14 -22.507 15.202 -11.040 1.00 0.00 H new ATOM 0 HA LYS A 14 -22.541 17.958 -9.979 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -24.450 16.208 -11.483 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -25.143 17.297 -10.298 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -25.181 18.717 -12.084 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -23.552 19.067 -11.541 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -22.908 17.026 -13.115 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -24.450 17.376 -13.869 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -22.512 19.634 -13.355 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -22.237 18.563 -14.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -23.536 20.485 -15.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -24.465 19.074 -15.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -24.731 20.112 -14.215 1.00 0.00 H new ATOM 221 N THR A 15 -23.599 17.447 -7.761 1.00 0.00 N ATOM 222 CA THR A 15 -23.975 17.117 -6.392 1.00 0.00 C ATOM 223 C THR A 15 -25.462 17.357 -6.157 1.00 0.00 C ATOM 224 O THR A 15 -26.127 18.022 -6.952 1.00 0.00 O ATOM 225 CB THR A 15 -23.166 17.942 -5.373 1.00 0.00 C ATOM 226 OG1 THR A 15 -23.335 19.341 -5.630 1.00 0.00 O ATOM 227 CG2 THR A 15 -21.689 17.584 -5.437 1.00 0.00 C ATOM 0 H THR A 15 -23.490 18.445 -7.939 1.00 0.00 H new ATOM 0 HA THR A 15 -23.754 16.059 -6.250 1.00 0.00 H new ATOM 0 HB THR A 15 -23.537 17.709 -4.375 1.00 0.00 H new ATOM 0 HG1 THR A 15 -22.893 19.574 -6.473 1.00 0.00 H new ATOM 0 HG21 THR A 15 -21.138 18.179 -4.709 1.00 0.00 H new ATOM 0 HG22 THR A 15 -21.561 16.525 -5.211 1.00 0.00 H new ATOM 0 HG23 THR A 15 -21.308 17.791 -6.437 1.00 0.00 H new ATOM 235 N LEU A 16 -25.978 16.812 -5.061 1.00 0.00 N ATOM 236 CA LEU A 16 -27.388 16.968 -4.720 1.00 0.00 C ATOM 237 C LEU A 16 -27.724 18.431 -4.448 1.00 0.00 C ATOM 238 O LEU A 16 -28.844 18.879 -4.697 1.00 0.00 O ATOM 239 CB LEU A 16 -27.735 16.117 -3.497 1.00 0.00 C ATOM 240 CG LEU A 16 -26.952 16.426 -2.221 1.00 0.00 C ATOM 241 CD1 LEU A 16 -27.625 17.543 -1.439 1.00 0.00 C ATOM 242 CD2 LEU A 16 -26.818 15.177 -1.362 1.00 0.00 C ATOM 0 H LEU A 16 -25.441 16.258 -4.393 1.00 0.00 H new ATOM 0 HA LEU A 16 -27.981 16.630 -5.570 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -28.798 16.237 -3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -27.577 15.069 -3.752 1.00 0.00 H new ATOM 0 HG LEU A 16 -25.953 16.758 -2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -27.053 17.749 -0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -27.668 18.442 -2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -28.636 17.239 -1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -26.258 15.416 -0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -27.809 14.815 -1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -26.291 14.405 -1.922 1.00 0.00 H new ATOM 254 N THR A 17 -26.747 19.172 -3.937 1.00 0.00 N ATOM 255 CA THR A 17 -26.938 20.585 -3.633 1.00 0.00 C ATOM 256 C THR A 17 -27.038 21.414 -4.908 1.00 0.00 C ATOM 257 O THR A 17 -27.631 22.492 -4.914 1.00 0.00 O ATOM 258 CB THR A 17 -25.789 21.133 -2.766 1.00 0.00 C ATOM 259 OG1 THR A 17 -26.035 22.505 -2.437 1.00 0.00 O ATOM 260 CG2 THR A 17 -24.458 21.011 -3.493 1.00 0.00 C ATOM 0 H THR A 17 -25.815 18.817 -3.725 1.00 0.00 H new ATOM 0 HA THR A 17 -27.873 20.665 -3.078 1.00 0.00 H new ATOM 0 HB THR A 17 -25.740 20.544 -1.850 1.00 0.00 H new ATOM 0 HG1 THR A 17 -25.301 22.846 -1.884 1.00 0.00 H new ATOM 0 HG21 THR A 17 -23.661 21.404 -2.862 1.00 0.00 H new ATOM 0 HG22 THR A 17 -24.260 19.963 -3.716 1.00 0.00 H new ATOM 0 HG23 THR A 17 -24.498 21.579 -4.423 1.00 0.00 H new ATOM 268 N GLY A 18 -26.454 20.903 -5.988 1.00 0.00 N ATOM 269 CA GLY A 18 -26.490 21.610 -7.255 1.00 0.00 C ATOM 270 C GLY A 18 -25.142 22.192 -7.632 1.00 0.00 C ATOM 271 O GLY A 18 -25.061 23.110 -8.449 1.00 0.00 O ATOM 0 H GLY A 18 -25.957 20.013 -6.008 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -26.820 20.928 -8.039 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -27.226 22.412 -7.199 1.00 0.00 H new ATOM 275 N LYS A 19 -24.082 21.659 -7.035 1.00 0.00 N ATOM 276 CA LYS A 19 -22.730 22.131 -7.312 1.00 0.00 C ATOM 277 C LYS A 19 -21.983 21.148 -8.208 1.00 0.00 C ATOM 278 O LYS A 19 -22.070 19.933 -8.022 1.00 0.00 O ATOM 279 CB LYS A 19 -21.960 22.333 -6.005 1.00 0.00 C ATOM 280 CG LYS A 19 -20.478 22.593 -6.206 1.00 0.00 C ATOM 281 CD LYS A 19 -19.673 21.305 -6.149 1.00 0.00 C ATOM 282 CE LYS A 19 -18.340 21.511 -5.446 1.00 0.00 C ATOM 283 NZ LYS A 19 -17.995 20.363 -4.564 1.00 0.00 N ATOM 0 H LYS A 19 -24.133 20.900 -6.356 1.00 0.00 H new ATOM 0 HA LYS A 19 -22.805 23.085 -7.833 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -22.397 23.171 -5.462 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.084 21.449 -5.380 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -20.320 23.079 -7.169 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -20.121 23.281 -5.439 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -20.246 20.539 -5.627 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -19.499 20.938 -7.161 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -17.555 21.647 -6.189 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.379 22.425 -4.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -18.144 20.631 -3.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -18.601 19.551 -4.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -16.998 20.103 -4.706 1.00 0.00 H new ATOM 297 N THR A 20 -21.247 21.680 -9.179 1.00 0.00 N ATOM 298 CA THR A 20 -20.485 20.849 -10.102 1.00 0.00 C ATOM 299 C THR A 20 -19.062 20.632 -9.600 1.00 0.00 C ATOM 300 O THR A 20 -18.288 21.581 -9.472 1.00 0.00 O ATOM 301 CB THR A 20 -20.431 21.477 -11.508 1.00 0.00 C ATOM 302 OG1 THR A 20 -21.658 22.160 -11.787 1.00 0.00 O ATOM 303 CG2 THR A 20 -20.186 20.412 -12.567 1.00 0.00 C ATOM 0 H THR A 20 -21.163 22.683 -9.346 1.00 0.00 H new ATOM 0 HA THR A 20 -20.997 19.889 -10.160 1.00 0.00 H new ATOM 0 HB THR A 20 -19.606 22.189 -11.533 1.00 0.00 H new ATOM 0 HG1 THR A 20 -21.615 22.558 -12.682 1.00 0.00 H new ATOM 0 HG21 THR A 20 -20.152 20.879 -13.551 1.00 0.00 H new ATOM 0 HG22 THR A 20 -19.237 19.913 -12.369 1.00 0.00 H new ATOM 0 HG23 THR A 20 -20.993 19.680 -12.540 1.00 0.00 H new ATOM 311 N ILE A 21 -18.724 19.379 -9.319 1.00 0.00 N ATOM 312 CA ILE A 21 -17.393 19.038 -8.832 1.00 0.00 C ATOM 313 C ILE A 21 -16.625 18.215 -9.862 1.00 0.00 C ATOM 314 O ILE A 21 -17.159 17.267 -10.439 1.00 0.00 O ATOM 315 CB ILE A 21 -17.461 18.251 -7.510 1.00 0.00 C ATOM 316 CG1 ILE A 21 -16.062 17.797 -7.089 1.00 0.00 C ATOM 317 CG2 ILE A 21 -18.391 17.056 -7.652 1.00 0.00 C ATOM 318 CD1 ILE A 21 -15.722 16.393 -7.539 1.00 0.00 C ATOM 0 H ILE A 21 -19.353 18.583 -9.420 1.00 0.00 H new ATOM 0 HA ILE A 21 -16.870 19.979 -8.658 1.00 0.00 H new ATOM 0 HB ILE A 21 -17.859 18.906 -6.735 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -15.326 18.489 -7.498 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -15.982 17.851 -6.003 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -18.428 16.510 -6.709 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -19.392 17.402 -7.911 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -18.020 16.398 -8.438 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -14.716 16.138 -7.206 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -16.436 15.690 -7.109 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -15.769 16.338 -8.627 1.00 0.00 H new ATOM 330 N THR A 22 -15.368 18.582 -10.086 1.00 0.00 N ATOM 331 CA THR A 22 -14.525 17.878 -11.045 1.00 0.00 C ATOM 332 C THR A 22 -13.653 16.839 -10.351 1.00 0.00 C ATOM 333 O THR A 22 -12.874 17.166 -9.454 1.00 0.00 O ATOM 334 CB THR A 22 -13.622 18.855 -11.822 1.00 0.00 C ATOM 335 OG1 THR A 22 -14.424 19.796 -12.544 1.00 0.00 O ATOM 336 CG2 THR A 22 -12.719 18.103 -12.789 1.00 0.00 C ATOM 0 H THR A 22 -14.910 19.363 -9.616 1.00 0.00 H new ATOM 0 HA THR A 22 -15.193 17.377 -11.746 1.00 0.00 H new ATOM 0 HB THR A 22 -12.997 19.387 -11.104 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.566 19.471 -13.458 1.00 0.00 H new ATOM 0 HG21 THR A 22 -12.090 18.813 -13.327 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.089 17.409 -12.233 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.330 17.548 -13.501 1.00 0.00 H new ATOM 344 N LEU A 23 -13.786 15.586 -10.771 1.00 0.00 N ATOM 345 CA LEU A 23 -13.008 14.497 -10.190 1.00 0.00 C ATOM 346 C LEU A 23 -11.965 13.985 -11.178 1.00 0.00 C ATOM 347 O LEU A 23 -12.216 13.920 -12.381 1.00 0.00 O ATOM 348 CB LEU A 23 -13.932 13.353 -9.768 1.00 0.00 C ATOM 349 CG LEU A 23 -13.533 12.603 -8.496 1.00 0.00 C ATOM 350 CD1 LEU A 23 -13.658 13.509 -7.281 1.00 0.00 C ATOM 351 CD2 LEU A 23 -14.387 11.356 -8.323 1.00 0.00 C ATOM 0 H LEU A 23 -14.425 15.299 -11.512 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.491 14.882 -9.311 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -14.935 13.755 -9.629 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -13.987 12.636 -10.587 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.491 12.296 -8.589 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -13.370 12.958 -6.385 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -13.004 14.372 -7.402 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -14.690 13.846 -7.183 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -14.090 10.835 -7.413 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -15.437 11.641 -8.251 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -14.248 10.698 -9.180 1.00 0.00 H new ATOM 363 N GLU A 24 -10.796 13.622 -10.661 1.00 0.00 N ATOM 364 CA GLU A 24 -9.715 13.114 -11.499 1.00 0.00 C ATOM 365 C GLU A 24 -9.607 11.596 -11.386 1.00 0.00 C ATOM 366 O GLU A 24 -9.332 11.060 -10.312 1.00 0.00 O ATOM 367 CB GLU A 24 -8.387 13.762 -11.104 1.00 0.00 C ATOM 368 CG GLU A 24 -8.220 15.179 -11.628 1.00 0.00 C ATOM 369 CD GLU A 24 -7.436 16.064 -10.680 1.00 0.00 C ATOM 370 OE1 GLU A 24 -6.454 15.571 -10.085 1.00 0.00 O ATOM 371 OE2 GLU A 24 -7.803 17.248 -10.532 1.00 0.00 O ATOM 0 H GLU A 24 -10.573 13.670 -9.667 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.941 13.369 -12.534 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.308 13.774 -10.017 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.568 13.147 -11.476 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.713 15.148 -12.593 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.203 15.617 -11.798 1.00 0.00 H new ATOM 378 N VAL A 25 -9.825 10.909 -12.503 1.00 0.00 N ATOM 379 CA VAL A 25 -9.752 9.453 -12.531 1.00 0.00 C ATOM 380 C VAL A 25 -9.202 8.956 -13.863 1.00 0.00 C ATOM 381 O VAL A 25 -9.437 9.564 -14.907 1.00 0.00 O ATOM 382 CB VAL A 25 -11.133 8.817 -12.288 1.00 0.00 C ATOM 383 CG1 VAL A 25 -12.063 9.096 -13.459 1.00 0.00 C ATOM 384 CG2 VAL A 25 -10.996 7.320 -12.051 1.00 0.00 C ATOM 0 H VAL A 25 -10.054 11.337 -13.400 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.077 9.154 -11.729 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.568 9.265 -11.395 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -13.034 8.639 -13.269 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.186 10.173 -13.578 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.636 8.677 -14.370 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.982 6.887 -11.881 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.540 6.854 -12.924 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.368 7.146 -11.178 1.00 0.00 H new ATOM 394 N GLU A 26 -8.471 7.847 -13.819 1.00 0.00 N ATOM 395 CA GLU A 26 -7.888 7.269 -15.024 1.00 0.00 C ATOM 396 C GLU A 26 -8.965 6.635 -15.900 1.00 0.00 C ATOM 397 O GLU A 26 -10.023 6.221 -15.424 1.00 0.00 O ATOM 398 CB GLU A 26 -6.834 6.222 -14.656 1.00 0.00 C ATOM 399 CG GLU A 26 -5.917 6.654 -13.524 1.00 0.00 C ATOM 400 CD GLU A 26 -4.814 5.650 -13.252 1.00 0.00 C ATOM 401 OE1 GLU A 26 -4.523 4.830 -14.147 1.00 0.00 O ATOM 402 OE2 GLU A 26 -4.241 5.686 -12.143 1.00 0.00 O ATOM 0 H GLU A 26 -8.268 7.331 -12.963 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.412 8.072 -15.587 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.336 5.297 -14.373 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.231 6.001 -15.537 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.473 7.619 -13.769 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.506 6.795 -12.618 1.00 0.00 H new ATOM 409 N PRO A 27 -8.692 6.558 -17.210 1.00 0.00 N ATOM 410 CA PRO A 27 -9.625 5.977 -18.181 1.00 0.00 C ATOM 411 C PRO A 27 -9.761 4.467 -18.020 1.00 0.00 C ATOM 412 O PRO A 27 -10.617 3.841 -18.646 1.00 0.00 O ATOM 413 CB PRO A 27 -8.989 6.316 -19.531 1.00 0.00 C ATOM 414 CG PRO A 27 -7.537 6.469 -19.238 1.00 0.00 C ATOM 415 CD PRO A 27 -7.452 7.032 -17.847 1.00 0.00 C ATOM 0 HA PRO A 27 -10.635 6.368 -18.061 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -9.164 5.526 -20.261 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.408 7.232 -19.947 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.023 5.510 -19.303 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -7.062 7.135 -19.958 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.567 6.672 -17.321 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.396 8.121 -17.857 1.00 0.00 H new ATOM 423 N SER A 28 -8.912 3.886 -17.178 1.00 0.00 N ATOM 424 CA SER A 28 -8.936 2.448 -16.939 1.00 0.00 C ATOM 425 C SER A 28 -9.475 2.138 -15.545 1.00 0.00 C ATOM 426 O SER A 28 -9.822 0.997 -15.242 1.00 0.00 O ATOM 427 CB SER A 28 -7.533 1.860 -17.098 1.00 0.00 C ATOM 428 OG SER A 28 -6.538 2.826 -16.803 1.00 0.00 O ATOM 0 H SER A 28 -8.199 4.389 -16.650 1.00 0.00 H new ATOM 0 HA SER A 28 -9.598 1.993 -17.675 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.418 1.001 -16.436 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.401 1.497 -18.117 1.00 0.00 H new ATOM 0 HG SER A 28 -6.731 3.240 -15.936 1.00 0.00 H new ATOM 434 N ASP A 29 -9.541 3.163 -14.703 1.00 0.00 N ATOM 435 CA ASP A 29 -10.038 3.002 -13.341 1.00 0.00 C ATOM 436 C ASP A 29 -11.477 2.496 -13.345 1.00 0.00 C ATOM 437 O ASP A 29 -12.106 2.384 -14.398 1.00 0.00 O ATOM 438 CB ASP A 29 -9.953 4.329 -12.584 1.00 0.00 C ATOM 439 CG ASP A 29 -8.741 4.400 -11.676 1.00 0.00 C ATOM 440 OD1 ASP A 29 -7.712 3.775 -12.010 1.00 0.00 O ATOM 441 OD2 ASP A 29 -8.820 5.080 -10.632 1.00 0.00 O ATOM 0 H ASP A 29 -9.257 4.114 -14.939 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.413 2.265 -12.837 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -9.916 5.151 -13.299 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -10.857 4.464 -11.990 1.00 0.00 H new ATOM 446 N THR A 30 -11.995 2.191 -12.159 1.00 0.00 N ATOM 447 CA THR A 30 -13.358 1.694 -12.025 1.00 0.00 C ATOM 448 C THR A 30 -14.168 2.562 -11.067 1.00 0.00 C ATOM 449 O THR A 30 -13.626 3.457 -10.418 1.00 0.00 O ATOM 450 CB THR A 30 -13.380 0.238 -11.522 1.00 0.00 C ATOM 451 OG1 THR A 30 -12.473 0.085 -10.425 1.00 0.00 O ATOM 452 CG2 THR A 30 -13.001 -0.724 -12.638 1.00 0.00 C ATOM 0 H THR A 30 -11.490 2.280 -11.277 1.00 0.00 H new ATOM 0 HA THR A 30 -13.807 1.734 -13.017 1.00 0.00 H new ATOM 0 HB THR A 30 -14.392 0.006 -11.191 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.373 -0.867 -10.213 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.023 -1.746 -12.260 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.710 -0.625 -13.460 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.998 -0.491 -12.995 1.00 0.00 H new ATOM 460 N ILE A 31 -15.466 2.290 -10.984 1.00 0.00 N ATOM 461 CA ILE A 31 -16.349 3.045 -10.104 1.00 0.00 C ATOM 462 C ILE A 31 -15.799 3.093 -8.682 1.00 0.00 C ATOM 463 O ILE A 31 -15.787 4.146 -8.046 1.00 0.00 O ATOM 464 CB ILE A 31 -17.765 2.442 -10.074 1.00 0.00 C ATOM 465 CG1 ILE A 31 -18.335 2.355 -11.491 1.00 0.00 C ATOM 466 CG2 ILE A 31 -18.676 3.271 -9.181 1.00 0.00 C ATOM 467 CD1 ILE A 31 -18.448 3.696 -12.181 1.00 0.00 C ATOM 0 H ILE A 31 -15.929 1.553 -11.515 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.403 4.057 -10.505 1.00 0.00 H new ATOM 0 HB ILE A 31 -17.706 1.434 -9.663 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -17.701 1.700 -12.089 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -19.321 1.893 -11.449 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -19.673 2.831 -9.171 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -18.276 3.287 -8.167 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -18.733 4.290 -9.565 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -18.859 3.557 -13.181 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -19.106 4.347 -11.605 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -17.460 4.151 -12.255 1.00 0.00 H new ATOM 479 N GLU A 32 -15.342 1.944 -8.191 1.00 0.00 N ATOM 480 CA GLU A 32 -14.790 1.856 -6.845 1.00 0.00 C ATOM 481 C GLU A 32 -13.693 2.896 -6.637 1.00 0.00 C ATOM 482 O GLU A 32 -13.516 3.416 -5.537 1.00 0.00 O ATOM 483 CB GLU A 32 -14.233 0.454 -6.589 1.00 0.00 C ATOM 484 CG GLU A 32 -13.237 -0.006 -7.640 1.00 0.00 C ATOM 485 CD GLU A 32 -12.480 -1.251 -7.221 1.00 0.00 C ATOM 486 OE1 GLU A 32 -11.550 -1.131 -6.396 1.00 0.00 O ATOM 487 OE2 GLU A 32 -12.818 -2.346 -7.718 1.00 0.00 O ATOM 0 H GLU A 32 -15.344 1.063 -8.705 1.00 0.00 H new ATOM 0 HA GLU A 32 -15.594 2.055 -6.137 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.751 0.437 -5.611 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -15.060 -0.255 -6.549 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.764 -0.203 -8.573 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.527 0.797 -7.838 1.00 0.00 H new ATOM 494 N ASN A 33 -12.958 3.194 -7.705 1.00 0.00 N ATOM 495 CA ASN A 33 -11.878 4.171 -7.640 1.00 0.00 C ATOM 496 C ASN A 33 -12.430 5.593 -7.633 1.00 0.00 C ATOM 497 O ASN A 33 -11.950 6.453 -6.894 1.00 0.00 O ATOM 498 CB ASN A 33 -10.925 3.988 -8.824 1.00 0.00 C ATOM 499 CG ASN A 33 -9.689 3.192 -8.453 1.00 0.00 C ATOM 500 OD1 ASN A 33 -9.366 2.191 -9.092 1.00 0.00 O ATOM 501 ND2 ASN A 33 -8.990 3.636 -7.414 1.00 0.00 N ATOM 0 H ASN A 33 -13.091 2.773 -8.624 1.00 0.00 H new ATOM 0 HA ASN A 33 -11.330 4.008 -6.712 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.450 3.482 -9.635 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.625 4.966 -9.200 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.148 3.142 -7.117 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.295 4.471 -6.913 1.00 0.00 H new ATOM 508 N VAL A 34 -13.442 5.834 -8.460 1.00 0.00 N ATOM 509 CA VAL A 34 -14.061 7.151 -8.549 1.00 0.00 C ATOM 510 C VAL A 34 -14.603 7.595 -7.195 1.00 0.00 C ATOM 511 O VAL A 34 -14.309 8.695 -6.726 1.00 0.00 O ATOM 512 CB VAL A 34 -15.207 7.164 -9.578 1.00 0.00 C ATOM 513 CG1 VAL A 34 -15.886 8.525 -9.603 1.00 0.00 C ATOM 514 CG2 VAL A 34 -14.688 6.792 -10.958 1.00 0.00 C ATOM 0 H VAL A 34 -13.851 5.134 -9.079 1.00 0.00 H new ATOM 0 HA VAL A 34 -13.285 7.845 -8.872 1.00 0.00 H new ATOM 0 HB VAL A 34 -15.947 6.421 -9.282 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -16.693 8.516 -10.336 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -16.294 8.746 -8.617 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -15.158 9.290 -9.875 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -15.511 6.806 -11.672 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -13.928 7.509 -11.266 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -14.253 5.793 -10.926 1.00 0.00 H new ATOM 524 N LYS A 35 -15.397 6.732 -6.570 1.00 0.00 N ATOM 525 CA LYS A 35 -15.980 7.034 -5.268 1.00 0.00 C ATOM 526 C LYS A 35 -14.894 7.357 -4.247 1.00 0.00 C ATOM 527 O LYS A 35 -15.127 8.098 -3.292 1.00 0.00 O ATOM 528 CB LYS A 35 -16.821 5.853 -4.777 1.00 0.00 C ATOM 529 CG LYS A 35 -16.049 4.547 -4.698 1.00 0.00 C ATOM 530 CD LYS A 35 -16.745 3.541 -3.798 1.00 0.00 C ATOM 531 CE LYS A 35 -16.155 3.545 -2.396 1.00 0.00 C ATOM 532 NZ LYS A 35 -14.726 3.127 -2.394 1.00 0.00 N ATOM 0 H LYS A 35 -15.651 5.818 -6.944 1.00 0.00 H new ATOM 0 HA LYS A 35 -16.621 7.908 -5.379 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -17.222 6.088 -3.791 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -17.673 5.722 -5.445 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -15.939 4.127 -5.698 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -15.044 4.739 -4.321 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -17.809 3.772 -3.747 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -16.656 2.544 -4.228 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -16.242 4.544 -1.968 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -16.730 2.874 -1.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.489 2.706 -1.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -14.568 2.426 -3.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -14.121 3.956 -2.562 1.00 0.00 H new ATOM 546 N ALA A 36 -13.707 6.797 -4.455 1.00 0.00 N ATOM 547 CA ALA A 36 -12.584 7.029 -3.555 1.00 0.00 C ATOM 548 C ALA A 36 -12.310 8.520 -3.392 1.00 0.00 C ATOM 549 O ALA A 36 -12.112 9.008 -2.280 1.00 0.00 O ATOM 550 CB ALA A 36 -11.342 6.315 -4.065 1.00 0.00 C ATOM 0 H ALA A 36 -13.498 6.179 -5.239 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.845 6.625 -2.577 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.512 6.497 -3.383 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.536 5.244 -4.123 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.087 6.691 -5.056 1.00 0.00 H new ATOM 556 N LYS A 37 -12.299 9.240 -4.509 1.00 0.00 N ATOM 557 CA LYS A 37 -12.050 10.677 -4.492 1.00 0.00 C ATOM 558 C LYS A 37 -13.279 11.436 -4.002 1.00 0.00 C ATOM 559 O LYS A 37 -13.161 12.508 -3.407 1.00 0.00 O ATOM 560 CB LYS A 37 -11.659 11.164 -5.889 1.00 0.00 C ATOM 561 CG LYS A 37 -10.955 12.510 -5.888 1.00 0.00 C ATOM 562 CD LYS A 37 -9.484 12.369 -5.533 1.00 0.00 C ATOM 563 CE LYS A 37 -8.647 12.019 -6.754 1.00 0.00 C ATOM 564 NZ LYS A 37 -7.210 11.837 -6.408 1.00 0.00 N ATOM 0 H LYS A 37 -12.460 8.851 -5.438 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.227 10.870 -3.804 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.009 10.423 -6.354 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.556 11.233 -6.505 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.051 12.972 -6.870 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.441 13.175 -5.174 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.123 13.301 -5.098 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.364 11.595 -4.775 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.030 11.105 -7.207 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.744 12.809 -7.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.674 11.600 -7.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.837 12.718 -5.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.114 11.066 -5.716 1.00 0.00 H new ATOM 578 N ILE A 38 -14.456 10.874 -4.254 1.00 0.00 N ATOM 579 CA ILE A 38 -15.705 11.498 -3.835 1.00 0.00 C ATOM 580 C ILE A 38 -15.758 11.660 -2.320 1.00 0.00 C ATOM 581 O ILE A 38 -16.382 12.589 -1.807 1.00 0.00 O ATOM 582 CB ILE A 38 -16.925 10.679 -4.296 1.00 0.00 C ATOM 583 CG1 ILE A 38 -16.948 10.571 -5.822 1.00 0.00 C ATOM 584 CG2 ILE A 38 -18.211 11.310 -3.784 1.00 0.00 C ATOM 585 CD1 ILE A 38 -17.017 11.911 -6.521 1.00 0.00 C ATOM 0 H ILE A 38 -14.571 9.988 -4.746 1.00 0.00 H new ATOM 0 HA ILE A 38 -15.739 12.481 -4.304 1.00 0.00 H new ATOM 0 HB ILE A 38 -16.847 9.674 -3.881 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -16.055 10.042 -6.154 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -17.805 9.969 -6.123 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -19.064 10.720 -4.118 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -18.194 11.338 -2.695 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -18.298 12.325 -4.172 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -17.030 11.758 -7.600 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -17.924 12.433 -6.217 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -16.146 12.508 -6.250 1.00 0.00 H new ATOM 597 N GLN A 39 -15.098 10.751 -1.610 1.00 0.00 N ATOM 598 CA GLN A 39 -15.070 10.794 -0.153 1.00 0.00 C ATOM 599 C GLN A 39 -14.581 12.151 0.342 1.00 0.00 C ATOM 600 O GLN A 39 -15.022 12.639 1.383 1.00 0.00 O ATOM 601 CB GLN A 39 -14.170 9.685 0.394 1.00 0.00 C ATOM 602 CG GLN A 39 -14.834 8.318 0.417 1.00 0.00 C ATOM 603 CD GLN A 39 -14.312 7.433 1.531 1.00 0.00 C ATOM 604 OE1 GLN A 39 -13.102 7.280 1.703 1.00 0.00 O ATOM 605 NE2 GLN A 39 -15.224 6.844 2.297 1.00 0.00 N ATOM 0 H GLN A 39 -14.576 9.976 -2.020 1.00 0.00 H new ATOM 0 HA GLN A 39 -16.086 10.640 0.209 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.266 9.630 -0.212 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.860 9.946 1.406 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -15.911 8.443 0.532 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -14.672 7.824 -0.541 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -16.216 6.999 2.119 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.932 6.237 3.063 1.00 0.00 H new ATOM 614 N ASP A 40 -13.668 12.756 -0.410 1.00 0.00 N ATOM 615 CA ASP A 40 -13.120 14.058 -0.048 1.00 0.00 C ATOM 616 C ASP A 40 -14.100 15.175 -0.391 1.00 0.00 C ATOM 617 O ASP A 40 -14.047 16.262 0.185 1.00 0.00 O ATOM 618 CB ASP A 40 -11.789 14.292 -0.765 1.00 0.00 C ATOM 619 CG ASP A 40 -11.027 15.474 -0.200 1.00 0.00 C ATOM 620 OD1 ASP A 40 -10.370 15.311 0.849 1.00 0.00 O ATOM 621 OD2 ASP A 40 -11.087 16.563 -0.808 1.00 0.00 O ATOM 0 H ASP A 40 -13.292 12.366 -1.274 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.950 14.067 1.029 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.174 13.395 -0.685 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.975 14.457 -1.826 1.00 0.00 H new ATOM 626 N LYS A 41 -14.994 14.901 -1.335 1.00 0.00 N ATOM 627 CA LYS A 41 -15.988 15.882 -1.756 1.00 0.00 C ATOM 628 C LYS A 41 -17.173 15.903 -0.796 1.00 0.00 C ATOM 629 O LYS A 41 -17.577 16.963 -0.319 1.00 0.00 O ATOM 630 CB LYS A 41 -16.473 15.570 -3.174 1.00 0.00 C ATOM 631 CG LYS A 41 -15.350 15.239 -4.142 1.00 0.00 C ATOM 632 CD LYS A 41 -14.471 16.449 -4.411 1.00 0.00 C ATOM 633 CE LYS A 41 -13.308 16.521 -3.434 1.00 0.00 C ATOM 634 NZ LYS A 41 -12.161 17.289 -3.993 1.00 0.00 N ATOM 0 H LYS A 41 -15.051 14.007 -1.823 1.00 0.00 H new ATOM 0 HA LYS A 41 -15.518 16.865 -1.747 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -17.167 14.730 -3.135 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -17.029 16.426 -3.555 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.743 14.431 -3.734 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.772 14.879 -5.080 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.089 16.403 -5.431 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -15.068 17.358 -4.335 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.641 16.988 -2.507 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.982 15.512 -3.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.389 17.315 -3.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.827 16.829 -4.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.465 18.260 -4.209 1.00 0.00 H new ATOM 648 N GLU A 42 -17.723 14.726 -0.515 1.00 0.00 N ATOM 649 CA GLU A 42 -18.861 14.611 0.390 1.00 0.00 C ATOM 650 C GLU A 42 -18.533 13.691 1.562 1.00 0.00 C ATOM 651 O GLU A 42 -18.980 13.916 2.686 1.00 0.00 O ATOM 652 CB GLU A 42 -20.085 14.083 -0.360 1.00 0.00 C ATOM 653 CG GLU A 42 -20.681 15.086 -1.335 1.00 0.00 C ATOM 654 CD GLU A 42 -21.040 16.401 -0.672 1.00 0.00 C ATOM 655 OE1 GLU A 42 -21.334 16.393 0.542 1.00 0.00 O ATOM 656 OE2 GLU A 42 -21.028 17.439 -1.366 1.00 0.00 O ATOM 0 H GLU A 42 -17.399 13.839 -0.901 1.00 0.00 H new ATOM 0 HA GLU A 42 -19.084 15.604 0.781 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -19.806 13.181 -0.905 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -20.848 13.795 0.364 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -19.970 15.271 -2.140 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -21.574 14.658 -1.791 1.00 0.00 H new ATOM 663 N GLY A 43 -17.748 12.653 1.291 1.00 0.00 N ATOM 664 CA GLY A 43 -17.374 11.713 2.332 1.00 0.00 C ATOM 665 C GLY A 43 -18.518 10.800 2.727 1.00 0.00 C ATOM 666 O GLY A 43 -19.063 10.916 3.825 1.00 0.00 O ATOM 0 H GLY A 43 -17.364 12.446 0.369 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -16.534 11.110 1.988 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -17.033 12.263 3.209 1.00 0.00 H new ATOM 670 N ILE A 44 -18.883 9.890 1.830 1.00 0.00 N ATOM 671 CA ILE A 44 -19.969 8.954 2.091 1.00 0.00 C ATOM 672 C ILE A 44 -19.507 7.512 1.909 1.00 0.00 C ATOM 673 O ILE A 44 -18.594 7.218 1.137 1.00 0.00 O ATOM 674 CB ILE A 44 -21.172 9.216 1.166 1.00 0.00 C ATOM 675 CG1 ILE A 44 -20.698 9.452 -0.269 1.00 0.00 C ATOM 676 CG2 ILE A 44 -21.975 10.407 1.667 1.00 0.00 C ATOM 677 CD1 ILE A 44 -21.805 9.347 -1.296 1.00 0.00 C ATOM 0 H ILE A 44 -18.443 9.781 0.916 1.00 0.00 H new ATOM 0 HA ILE A 44 -20.276 9.107 3.126 1.00 0.00 H new ATOM 0 HB ILE A 44 -21.817 8.337 1.175 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -20.244 10.441 -0.335 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -19.920 8.728 -0.510 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -22.822 10.580 1.003 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -22.339 10.203 2.674 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -21.340 11.293 1.683 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -21.397 9.526 -2.291 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -22.244 8.350 -1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -22.573 10.090 -1.080 1.00 0.00 H new ATOM 689 N PRO A 45 -20.153 6.588 2.636 1.00 0.00 N ATOM 690 CA PRO A 45 -19.828 5.160 2.571 1.00 0.00 C ATOM 691 C PRO A 45 -20.228 4.534 1.239 1.00 0.00 C ATOM 692 O PRO A 45 -20.967 5.120 0.448 1.00 0.00 O ATOM 693 CB PRO A 45 -20.649 4.557 3.714 1.00 0.00 C ATOM 694 CG PRO A 45 -21.788 5.499 3.900 1.00 0.00 C ATOM 695 CD PRO A 45 -21.252 6.866 3.577 1.00 0.00 C ATOM 0 HA PRO A 45 -18.756 4.982 2.658 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -21.000 3.556 3.464 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -20.056 4.469 4.624 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -22.619 5.241 3.244 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -22.165 5.459 4.922 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -22.015 7.501 3.127 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -20.896 7.379 4.470 1.00 0.00 H new ATOM 703 N PRO A 46 -19.730 3.315 0.984 1.00 0.00 N ATOM 704 CA PRO A 46 -20.024 2.583 -0.252 1.00 0.00 C ATOM 705 C PRO A 46 -21.473 2.113 -0.316 1.00 0.00 C ATOM 706 O PRO A 46 -22.061 2.029 -1.395 1.00 0.00 O ATOM 707 CB PRO A 46 -19.075 1.384 -0.188 1.00 0.00 C ATOM 708 CG PRO A 46 -18.812 1.186 1.265 1.00 0.00 C ATOM 709 CD PRO A 46 -18.843 2.557 1.882 1.00 0.00 C ATOM 0 HA PRO A 46 -19.888 3.205 -1.137 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -19.527 0.497 -0.633 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -18.152 1.580 -0.734 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -19.566 0.539 1.713 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -17.846 0.708 1.425 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -19.230 2.531 2.901 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -17.848 2.999 1.930 1.00 0.00 H new ATOM 717 N ASP A 47 -22.043 1.807 0.844 1.00 0.00 N ATOM 718 CA ASP A 47 -23.425 1.346 0.919 1.00 0.00 C ATOM 719 C ASP A 47 -24.388 2.441 0.471 1.00 0.00 C ATOM 720 O ASP A 47 -25.397 2.165 -0.177 1.00 0.00 O ATOM 721 CB ASP A 47 -23.761 0.906 2.345 1.00 0.00 C ATOM 722 CG ASP A 47 -22.739 -0.062 2.908 1.00 0.00 C ATOM 723 OD1 ASP A 47 -22.878 -1.279 2.665 1.00 0.00 O ATOM 724 OD2 ASP A 47 -21.801 0.397 3.593 1.00 0.00 O ATOM 0 H ASP A 47 -21.570 1.870 1.745 1.00 0.00 H new ATOM 0 HA ASP A 47 -23.535 0.494 0.248 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -23.819 1.784 2.989 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -24.745 0.437 2.355 1.00 0.00 H new ATOM 729 N GLN A 48 -24.069 3.683 0.823 1.00 0.00 N ATOM 730 CA GLN A 48 -24.907 4.818 0.458 1.00 0.00 C ATOM 731 C GLN A 48 -24.469 5.413 -0.876 1.00 0.00 C ATOM 732 O GLN A 48 -25.261 6.043 -1.576 1.00 0.00 O ATOM 733 CB GLN A 48 -24.855 5.889 1.549 1.00 0.00 C ATOM 734 CG GLN A 48 -25.702 5.559 2.767 1.00 0.00 C ATOM 735 CD GLN A 48 -25.272 4.272 3.445 1.00 0.00 C ATOM 736 OE1 GLN A 48 -24.410 4.277 4.323 1.00 0.00 O ATOM 737 NE2 GLN A 48 -25.874 3.160 3.039 1.00 0.00 N ATOM 0 H GLN A 48 -23.237 3.928 1.360 1.00 0.00 H new ATOM 0 HA GLN A 48 -25.932 4.462 0.356 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -23.820 6.026 1.863 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -25.190 6.838 1.131 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -25.640 6.380 3.481 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -26.747 5.476 2.467 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -26.584 3.202 2.308 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -25.627 2.264 3.459 1.00 0.00 H new ATOM 746 N GLN A 49 -23.202 5.208 -1.222 1.00 0.00 N ATOM 747 CA GLN A 49 -22.658 5.725 -2.472 1.00 0.00 C ATOM 748 C GLN A 49 -23.351 5.087 -3.672 1.00 0.00 C ATOM 749 O GLN A 49 -23.461 3.864 -3.759 1.00 0.00 O ATOM 750 CB GLN A 49 -21.152 5.469 -2.542 1.00 0.00 C ATOM 751 CG GLN A 49 -20.315 6.598 -1.963 1.00 0.00 C ATOM 752 CD GLN A 49 -18.864 6.205 -1.762 1.00 0.00 C ATOM 753 OE1 GLN A 49 -18.539 5.023 -1.651 1.00 0.00 O ATOM 754 NE2 GLN A 49 -17.983 7.198 -1.715 1.00 0.00 N ATOM 0 H GLN A 49 -22.533 4.688 -0.654 1.00 0.00 H new ATOM 0 HA GLN A 49 -22.838 6.800 -2.501 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -20.923 4.547 -2.007 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -20.866 5.313 -3.582 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -20.365 7.460 -2.628 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -20.739 6.907 -1.008 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -18.297 8.164 -1.812 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -16.992 6.995 -1.582 1.00 0.00 H new ATOM 763 N ARG A 50 -23.816 5.924 -4.594 1.00 0.00 N ATOM 764 CA ARG A 50 -24.499 5.442 -5.788 1.00 0.00 C ATOM 765 C ARG A 50 -24.346 6.432 -6.939 1.00 0.00 C ATOM 766 O ARG A 50 -24.854 7.552 -6.880 1.00 0.00 O ATOM 767 CB ARG A 50 -25.983 5.210 -5.494 1.00 0.00 C ATOM 768 CG ARG A 50 -26.327 3.759 -5.204 1.00 0.00 C ATOM 769 CD ARG A 50 -26.054 2.870 -6.407 1.00 0.00 C ATOM 770 NE ARG A 50 -26.721 1.576 -6.295 1.00 0.00 N ATOM 771 CZ ARG A 50 -26.527 0.573 -7.143 1.00 0.00 C ATOM 772 NH1 ARG A 50 -25.688 0.713 -8.160 1.00 0.00 N ATOM 773 NH2 ARG A 50 -27.171 -0.575 -6.974 1.00 0.00 N ATOM 0 H ARG A 50 -23.732 6.939 -4.537 1.00 0.00 H new ATOM 0 HA ARG A 50 -24.042 4.497 -6.081 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -26.275 5.821 -4.640 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -26.571 5.551 -6.346 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -25.744 3.409 -4.352 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -27.378 3.682 -4.924 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -26.390 3.374 -7.313 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -24.980 2.716 -6.508 1.00 0.00 H new ATOM 0 HE ARG A 50 -27.372 1.435 -5.523 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -25.190 1.593 -8.293 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -25.541 -0.059 -8.810 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -27.816 -0.688 -6.192 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -27.021 -1.345 -7.626 1.00 0.00 H new ATOM 787 N LEU A 51 -23.643 6.011 -7.985 1.00 0.00 N ATOM 788 CA LEU A 51 -23.423 6.860 -9.150 1.00 0.00 C ATOM 789 C LEU A 51 -24.464 6.584 -10.230 1.00 0.00 C ATOM 790 O LEU A 51 -24.842 5.436 -10.463 1.00 0.00 O ATOM 791 CB LEU A 51 -22.018 6.634 -9.711 1.00 0.00 C ATOM 792 CG LEU A 51 -20.860 7.125 -8.841 1.00 0.00 C ATOM 793 CD1 LEU A 51 -21.101 8.558 -8.392 1.00 0.00 C ATOM 794 CD2 LEU A 51 -20.673 6.212 -7.638 1.00 0.00 C ATOM 0 H LEU A 51 -23.216 5.087 -8.050 1.00 0.00 H new ATOM 0 HA LEU A 51 -23.520 7.899 -8.835 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -21.886 5.566 -9.887 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -21.952 7.127 -10.681 1.00 0.00 H new ATOM 0 HG LEU A 51 -19.947 7.101 -9.436 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -20.267 8.891 -7.774 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -21.185 9.204 -9.266 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -22.024 8.608 -7.814 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -19.845 6.576 -7.030 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -21.585 6.205 -7.042 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -20.455 5.200 -7.980 1.00 0.00 H new ATOM 806 N ILE A 52 -24.923 7.644 -10.887 1.00 0.00 N ATOM 807 CA ILE A 52 -25.918 7.516 -11.944 1.00 0.00 C ATOM 808 C ILE A 52 -25.364 7.997 -13.281 1.00 0.00 C ATOM 809 O ILE A 52 -24.611 8.969 -13.340 1.00 0.00 O ATOM 810 CB ILE A 52 -27.195 8.310 -11.614 1.00 0.00 C ATOM 811 CG1 ILE A 52 -27.617 8.061 -10.165 1.00 0.00 C ATOM 812 CG2 ILE A 52 -28.316 7.931 -12.571 1.00 0.00 C ATOM 813 CD1 ILE A 52 -27.817 6.598 -9.837 1.00 0.00 C ATOM 0 H ILE A 52 -24.621 8.601 -10.706 1.00 0.00 H new ATOM 0 HA ILE A 52 -26.167 6.457 -12.017 1.00 0.00 H new ATOM 0 HB ILE A 52 -26.985 9.373 -11.733 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -26.860 8.474 -9.498 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -28.544 8.599 -9.967 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -29.212 8.500 -12.325 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -28.013 8.155 -13.594 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -28.527 6.865 -12.480 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -28.115 6.497 -8.793 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -28.595 6.184 -10.479 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -26.885 6.057 -10.002 1.00 0.00 H new ATOM 825 N PHE A 53 -25.744 7.310 -14.354 1.00 0.00 N ATOM 826 CA PHE A 53 -25.287 7.667 -15.691 1.00 0.00 C ATOM 827 C PHE A 53 -26.403 7.484 -16.715 1.00 0.00 C ATOM 828 O PHE A 53 -26.824 6.362 -16.997 1.00 0.00 O ATOM 829 CB PHE A 53 -24.076 6.818 -16.083 1.00 0.00 C ATOM 830 CG PHE A 53 -23.510 7.166 -17.430 1.00 0.00 C ATOM 831 CD1 PHE A 53 -22.748 8.311 -17.601 1.00 0.00 C ATOM 832 CD2 PHE A 53 -23.738 6.349 -18.525 1.00 0.00 C ATOM 833 CE1 PHE A 53 -22.227 8.635 -18.840 1.00 0.00 C ATOM 834 CE2 PHE A 53 -23.219 6.667 -19.766 1.00 0.00 C ATOM 835 CZ PHE A 53 -22.462 7.811 -19.923 1.00 0.00 C ATOM 0 H PHE A 53 -26.367 6.503 -14.323 1.00 0.00 H new ATOM 0 HA PHE A 53 -24.997 8.718 -15.680 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -23.298 6.939 -15.329 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -24.363 5.766 -16.079 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -22.559 8.958 -16.757 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -24.329 5.452 -18.408 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -21.637 9.531 -18.961 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -23.405 6.022 -20.612 1.00 0.00 H new ATOM 0 HZ PHE A 53 -22.054 8.061 -20.891 1.00 0.00 H new ATOM 845 N ALA A 54 -26.880 8.595 -17.267 1.00 0.00 N ATOM 846 CA ALA A 54 -27.946 8.558 -18.260 1.00 0.00 C ATOM 847 C ALA A 54 -29.175 7.834 -17.720 1.00 0.00 C ATOM 848 O ALA A 54 -29.903 7.183 -18.467 1.00 0.00 O ATOM 849 CB ALA A 54 -27.456 7.889 -19.536 1.00 0.00 C ATOM 0 H ALA A 54 -26.545 9.532 -17.043 1.00 0.00 H new ATOM 0 HA ALA A 54 -28.232 9.585 -18.488 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -28.263 7.868 -20.269 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -26.613 8.449 -19.940 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -27.141 6.869 -19.314 1.00 0.00 H new ATOM 855 N GLY A 55 -29.399 7.952 -16.414 1.00 0.00 N ATOM 856 CA GLY A 55 -30.540 7.303 -15.796 1.00 0.00 C ATOM 857 C GLY A 55 -30.229 5.890 -15.345 1.00 0.00 C ATOM 858 O GLY A 55 -31.003 5.281 -14.607 1.00 0.00 O ATOM 0 H GLY A 55 -28.811 8.485 -15.774 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -30.868 7.891 -14.939 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -31.369 7.281 -16.504 1.00 0.00 H new ATOM 862 N LYS A 56 -29.093 5.365 -15.791 1.00 0.00 N ATOM 863 CA LYS A 56 -28.680 4.014 -15.429 1.00 0.00 C ATOM 864 C LYS A 56 -27.649 4.042 -14.305 1.00 0.00 C ATOM 865 O LYS A 56 -26.615 4.700 -14.416 1.00 0.00 O ATOM 866 CB LYS A 56 -28.101 3.292 -16.648 1.00 0.00 C ATOM 867 CG LYS A 56 -27.608 1.888 -16.346 1.00 0.00 C ATOM 868 CD LYS A 56 -28.764 0.923 -16.145 1.00 0.00 C ATOM 869 CE LYS A 56 -29.257 0.359 -17.469 1.00 0.00 C ATOM 870 NZ LYS A 56 -30.075 -0.871 -17.279 1.00 0.00 N ATOM 0 H LYS A 56 -28.441 5.855 -16.404 1.00 0.00 H new ATOM 0 HA LYS A 56 -29.560 3.474 -15.078 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -28.863 3.241 -17.425 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -27.275 3.879 -17.049 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -26.979 1.538 -17.165 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -26.986 1.904 -15.451 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -28.449 0.106 -15.495 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -29.583 1.435 -15.639 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -29.850 1.113 -17.986 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -28.403 0.132 -18.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -30.392 -1.224 -18.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -29.502 -1.600 -16.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -30.904 -0.649 -16.691 1.00 0.00 H new ATOM 884 N GLN A 57 -27.939 3.324 -13.225 1.00 0.00 N ATOM 885 CA GLN A 57 -27.036 3.267 -12.082 1.00 0.00 C ATOM 886 C GLN A 57 -25.709 2.621 -12.467 1.00 0.00 C ATOM 887 O GLN A 57 -25.650 1.797 -13.381 1.00 0.00 O ATOM 888 CB GLN A 57 -27.681 2.490 -10.933 1.00 0.00 C ATOM 889 CG GLN A 57 -29.047 3.021 -10.531 1.00 0.00 C ATOM 890 CD GLN A 57 -29.810 2.057 -9.643 1.00 0.00 C ATOM 891 OE1 GLN A 57 -29.737 0.841 -9.821 1.00 0.00 O ATOM 892 NE2 GLN A 57 -30.548 2.597 -8.680 1.00 0.00 N ATOM 0 H GLN A 57 -28.791 2.774 -13.118 1.00 0.00 H new ATOM 0 HA GLN A 57 -26.840 4.288 -11.755 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -27.778 1.444 -11.222 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -27.019 2.521 -10.068 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -28.924 3.970 -10.009 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -29.632 3.224 -11.428 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -30.579 3.610 -8.569 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -31.084 1.998 -8.051 1.00 0.00 H new ATOM 901 N LEU A 58 -24.647 2.999 -11.765 1.00 0.00 N ATOM 902 CA LEU A 58 -23.319 2.456 -12.034 1.00 0.00 C ATOM 903 C LEU A 58 -22.849 1.573 -10.883 1.00 0.00 C ATOM 904 O LEU A 58 -23.353 1.674 -9.765 1.00 0.00 O ATOM 905 CB LEU A 58 -22.319 3.591 -12.263 1.00 0.00 C ATOM 906 CG LEU A 58 -22.767 4.697 -13.219 1.00 0.00 C ATOM 907 CD1 LEU A 58 -21.741 5.820 -13.254 1.00 0.00 C ATOM 908 CD2 LEU A 58 -22.994 4.137 -14.615 1.00 0.00 C ATOM 0 H LEU A 58 -24.679 3.679 -11.005 1.00 0.00 H new ATOM 0 HA LEU A 58 -23.378 1.846 -12.935 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -22.086 4.044 -11.299 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -21.393 3.161 -12.645 1.00 0.00 H new ATOM 0 HG LEU A 58 -23.710 5.104 -12.855 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -22.077 6.598 -13.940 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -21.628 6.241 -12.255 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -20.783 5.427 -13.593 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -23.312 4.939 -15.281 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -22.067 3.702 -14.988 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -23.766 3.368 -14.578 1.00 0.00 H new ATOM 920 N GLU A 59 -21.878 0.710 -11.165 1.00 0.00 N ATOM 921 CA GLU A 59 -21.339 -0.190 -10.152 1.00 0.00 C ATOM 922 C GLU A 59 -19.906 -0.591 -10.487 1.00 0.00 C ATOM 923 O GLU A 59 -19.435 -0.377 -11.605 1.00 0.00 O ATOM 924 CB GLU A 59 -22.215 -1.439 -10.030 1.00 0.00 C ATOM 925 CG GLU A 59 -22.471 -2.135 -11.356 1.00 0.00 C ATOM 926 CD GLU A 59 -23.384 -3.338 -11.217 1.00 0.00 C ATOM 927 OE1 GLU A 59 -23.045 -4.252 -10.436 1.00 0.00 O ATOM 928 OE2 GLU A 59 -24.436 -3.366 -11.889 1.00 0.00 O ATOM 0 H GLU A 59 -21.449 0.615 -12.085 1.00 0.00 H new ATOM 0 HA GLU A 59 -21.336 0.338 -9.198 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -21.738 -2.142 -9.347 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -23.170 -1.160 -9.585 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -22.915 -1.426 -12.055 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -21.521 -2.453 -11.785 1.00 0.00 H new ATOM 935 N ASP A 60 -19.217 -1.173 -9.512 1.00 0.00 N ATOM 936 CA ASP A 60 -17.837 -1.604 -9.702 1.00 0.00 C ATOM 937 C ASP A 60 -17.748 -2.680 -10.780 1.00 0.00 C ATOM 938 O ASP A 60 -18.765 -3.135 -11.303 1.00 0.00 O ATOM 939 CB ASP A 60 -17.259 -2.132 -8.388 1.00 0.00 C ATOM 940 CG ASP A 60 -17.640 -1.270 -7.201 1.00 0.00 C ATOM 941 OD1 ASP A 60 -17.484 -0.034 -7.290 1.00 0.00 O ATOM 942 OD2 ASP A 60 -18.094 -1.831 -6.182 1.00 0.00 O ATOM 0 H ASP A 60 -19.592 -1.357 -8.581 1.00 0.00 H new ATOM 0 HA ASP A 60 -17.254 -0.742 -10.025 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -17.612 -3.150 -8.222 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -16.173 -2.180 -8.465 1.00 0.00 H new ATOM 947 N GLY A 61 -16.524 -3.083 -11.108 1.00 0.00 N ATOM 948 CA GLY A 61 -16.325 -4.101 -12.123 1.00 0.00 C ATOM 949 C GLY A 61 -15.885 -3.518 -13.451 1.00 0.00 C ATOM 950 O GLY A 61 -14.854 -3.910 -13.997 1.00 0.00 O ATOM 0 H GLY A 61 -15.667 -2.723 -10.689 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -15.576 -4.813 -11.777 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -17.253 -4.656 -12.263 1.00 0.00 H new ATOM 954 N ARG A 62 -16.669 -2.580 -13.973 1.00 0.00 N ATOM 955 CA ARG A 62 -16.356 -1.944 -15.247 1.00 0.00 C ATOM 956 C ARG A 62 -15.611 -0.631 -15.030 1.00 0.00 C ATOM 957 O ARG A 62 -15.536 -0.123 -13.910 1.00 0.00 O ATOM 958 CB ARG A 62 -17.638 -1.691 -16.043 1.00 0.00 C ATOM 959 CG ARG A 62 -18.030 -2.845 -16.950 1.00 0.00 C ATOM 960 CD ARG A 62 -18.376 -4.091 -16.149 1.00 0.00 C ATOM 961 NE ARG A 62 -19.138 -5.055 -16.938 1.00 0.00 N ATOM 962 CZ ARG A 62 -19.512 -6.245 -16.482 1.00 0.00 C ATOM 963 NH1 ARG A 62 -19.196 -6.616 -15.249 1.00 0.00 N ATOM 964 NH2 ARG A 62 -20.204 -7.067 -17.261 1.00 0.00 N ATOM 0 H ARG A 62 -17.526 -2.244 -13.533 1.00 0.00 H new ATOM 0 HA ARG A 62 -15.712 -2.617 -15.813 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -18.454 -1.493 -15.348 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -17.509 -0.793 -16.647 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -18.885 -2.555 -17.561 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -17.210 -3.067 -17.634 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -17.458 -4.559 -15.792 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -18.952 -3.807 -15.268 1.00 0.00 H new ATOM 0 HE ARG A 62 -19.397 -4.801 -17.891 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -18.664 -5.987 -14.648 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -19.485 -7.531 -14.902 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -20.449 -6.785 -18.210 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -20.491 -7.981 -16.911 1.00 0.00 H new ATOM 978 N THR A 63 -15.059 -0.084 -16.109 1.00 0.00 N ATOM 979 CA THR A 63 -14.319 1.169 -16.037 1.00 0.00 C ATOM 980 C THR A 63 -15.148 2.330 -16.573 1.00 0.00 C ATOM 981 O THR A 63 -16.095 2.130 -17.336 1.00 0.00 O ATOM 982 CB THR A 63 -12.999 1.088 -16.828 1.00 0.00 C ATOM 983 OG1 THR A 63 -12.427 2.394 -16.962 1.00 0.00 O ATOM 984 CG2 THR A 63 -13.231 0.486 -18.206 1.00 0.00 C ATOM 0 H THR A 63 -15.111 -0.490 -17.043 1.00 0.00 H new ATOM 0 HA THR A 63 -14.094 1.342 -14.985 1.00 0.00 H new ATOM 0 HB THR A 63 -12.310 0.445 -16.279 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.298 2.787 -16.074 1.00 0.00 H new ATOM 0 HG21 THR A 63 -12.285 0.439 -18.746 1.00 0.00 H new ATOM 0 HG22 THR A 63 -13.639 -0.519 -18.100 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.935 1.107 -18.760 1.00 0.00 H new ATOM 992 N LEU A 64 -14.788 3.544 -16.171 1.00 0.00 N ATOM 993 CA LEU A 64 -15.500 4.738 -16.612 1.00 0.00 C ATOM 994 C LEU A 64 -15.510 4.836 -18.134 1.00 0.00 C ATOM 995 O LEU A 64 -16.498 5.262 -18.732 1.00 0.00 O ATOM 996 CB LEU A 64 -14.855 5.990 -16.013 1.00 0.00 C ATOM 997 CG LEU A 64 -14.737 6.021 -14.489 1.00 0.00 C ATOM 998 CD1 LEU A 64 -15.837 5.187 -13.851 1.00 0.00 C ATOM 999 CD2 LEU A 64 -13.367 5.524 -14.051 1.00 0.00 C ATOM 0 H LEU A 64 -14.007 3.727 -15.541 1.00 0.00 H new ATOM 0 HA LEU A 64 -16.531 4.665 -16.265 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.857 6.098 -16.437 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -15.432 6.859 -16.330 1.00 0.00 H new ATOM 0 HG LEU A 64 -14.852 7.052 -14.156 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.737 5.221 -12.766 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -16.810 5.587 -14.138 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -15.754 4.155 -14.191 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -13.300 5.553 -12.963 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.224 4.500 -14.396 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -12.594 6.163 -14.479 1.00 0.00 H new ATOM 1011 N SER A 65 -14.405 4.436 -18.754 1.00 0.00 N ATOM 1012 CA SER A 65 -14.285 4.480 -20.207 1.00 0.00 C ATOM 1013 C SER A 65 -15.293 3.541 -20.863 1.00 0.00 C ATOM 1014 O SER A 65 -15.852 3.851 -21.915 1.00 0.00 O ATOM 1015 CB SER A 65 -12.866 4.102 -20.635 1.00 0.00 C ATOM 1016 OG SER A 65 -12.786 3.925 -22.039 1.00 0.00 O ATOM 0 H SER A 65 -13.580 4.078 -18.273 1.00 0.00 H new ATOM 0 HA SER A 65 -14.496 5.498 -20.534 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.169 4.880 -20.323 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.564 3.184 -20.132 1.00 0.00 H new ATOM 0 HG SER A 65 -11.869 3.685 -22.287 1.00 0.00 H new ATOM 1022 N GLU A 66 -15.519 2.392 -20.234 1.00 0.00 N ATOM 1023 CA GLU A 66 -16.459 1.407 -20.758 1.00 0.00 C ATOM 1024 C GLU A 66 -17.899 1.858 -20.534 1.00 0.00 C ATOM 1025 O GLU A 66 -18.820 1.380 -21.197 1.00 0.00 O ATOM 1026 CB GLU A 66 -16.229 0.048 -20.094 1.00 0.00 C ATOM 1027 CG GLU A 66 -14.997 -0.679 -20.606 1.00 0.00 C ATOM 1028 CD GLU A 66 -15.275 -1.489 -21.858 1.00 0.00 C ATOM 1029 OE1 GLU A 66 -16.385 -2.051 -21.965 1.00 0.00 O ATOM 1030 OE2 GLU A 66 -14.383 -1.561 -22.729 1.00 0.00 O ATOM 0 H GLU A 66 -15.065 2.120 -19.362 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.289 1.313 -21.830 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.135 0.190 -19.017 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.105 -0.580 -20.257 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.212 0.048 -20.815 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.620 -1.341 -19.826 1.00 0.00 H new ATOM 1037 N TYR A 67 -18.086 2.779 -19.596 1.00 0.00 N ATOM 1038 CA TYR A 67 -19.414 3.292 -19.282 1.00 0.00 C ATOM 1039 C TYR A 67 -19.745 4.509 -20.141 1.00 0.00 C ATOM 1040 O TYR A 67 -20.702 5.233 -19.869 1.00 0.00 O ATOM 1041 CB TYR A 67 -19.504 3.661 -17.800 1.00 0.00 C ATOM 1042 CG TYR A 67 -19.905 2.504 -16.912 1.00 0.00 C ATOM 1043 CD1 TYR A 67 -21.082 1.802 -17.141 1.00 0.00 C ATOM 1044 CD2 TYR A 67 -19.106 2.113 -15.844 1.00 0.00 C ATOM 1045 CE1 TYR A 67 -21.452 0.745 -16.332 1.00 0.00 C ATOM 1046 CE2 TYR A 67 -19.468 1.057 -15.031 1.00 0.00 C ATOM 1047 CZ TYR A 67 -20.642 0.376 -15.279 1.00 0.00 C ATOM 1048 OH TYR A 67 -21.006 -0.676 -14.470 1.00 0.00 O ATOM 0 H TYR A 67 -17.334 3.186 -19.039 1.00 0.00 H new ATOM 0 HA TYR A 67 -20.139 2.508 -19.499 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -18.538 4.044 -17.470 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -20.226 4.469 -17.678 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -21.718 2.088 -17.965 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -18.187 2.644 -15.647 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -22.371 0.211 -16.523 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -18.835 0.766 -14.205 1.00 0.00 H new ATOM 0 HH TYR A 67 -20.556 -0.593 -13.603 1.00 0.00 H new ATOM 1058 N ASN A 68 -18.945 4.727 -21.180 1.00 0.00 N ATOM 1059 CA ASN A 68 -19.152 5.856 -22.080 1.00 0.00 C ATOM 1060 C ASN A 68 -18.952 7.179 -21.348 1.00 0.00 C ATOM 1061 O ASN A 68 -19.480 8.213 -21.758 1.00 0.00 O ATOM 1062 CB ASN A 68 -20.556 5.802 -22.685 1.00 0.00 C ATOM 1063 CG ASN A 68 -20.632 6.493 -24.033 1.00 0.00 C ATOM 1064 OD1 ASN A 68 -20.235 5.931 -25.054 1.00 0.00 O ATOM 1065 ND2 ASN A 68 -21.143 7.718 -24.042 1.00 0.00 N ATOM 0 H ASN A 68 -18.148 4.137 -21.419 1.00 0.00 H new ATOM 0 HA ASN A 68 -18.416 5.790 -22.881 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -20.861 4.761 -22.796 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -21.262 6.270 -21.999 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -21.219 8.232 -24.919 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -21.460 8.145 -23.171 1.00 0.00 H new ATOM 1072 N ILE A 69 -18.185 7.139 -20.263 1.00 0.00 N ATOM 1073 CA ILE A 69 -17.914 8.335 -19.475 1.00 0.00 C ATOM 1074 C ILE A 69 -16.634 9.021 -19.941 1.00 0.00 C ATOM 1075 O ILE A 69 -15.531 8.591 -19.606 1.00 0.00 O ATOM 1076 CB ILE A 69 -17.790 8.005 -17.976 1.00 0.00 C ATOM 1077 CG1 ILE A 69 -19.065 7.325 -17.474 1.00 0.00 C ATOM 1078 CG2 ILE A 69 -17.507 9.268 -17.177 1.00 0.00 C ATOM 1079 CD1 ILE A 69 -18.906 6.665 -16.122 1.00 0.00 C ATOM 0 H ILE A 69 -17.741 6.291 -19.910 1.00 0.00 H new ATOM 0 HA ILE A 69 -18.759 9.008 -19.622 1.00 0.00 H new ATOM 0 HB ILE A 69 -16.956 7.317 -17.838 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -19.863 8.065 -17.416 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -19.377 6.575 -18.201 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -17.422 9.018 -16.119 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -16.574 9.714 -17.520 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -18.322 9.978 -17.318 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -19.849 6.203 -15.829 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -18.130 5.901 -16.179 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -18.624 7.414 -15.382 1.00 0.00 H new ATOM 1091 N GLN A 70 -16.791 10.092 -20.713 1.00 0.00 N ATOM 1092 CA GLN A 70 -15.647 10.839 -21.223 1.00 0.00 C ATOM 1093 C GLN A 70 -15.106 11.795 -20.166 1.00 0.00 C ATOM 1094 O GLN A 70 -15.496 11.734 -18.999 1.00 0.00 O ATOM 1095 CB GLN A 70 -16.040 11.618 -22.479 1.00 0.00 C ATOM 1096 CG GLN A 70 -16.790 10.782 -23.504 1.00 0.00 C ATOM 1097 CD GLN A 70 -17.292 11.606 -24.674 1.00 0.00 C ATOM 1098 OE1 GLN A 70 -16.506 12.107 -25.478 1.00 0.00 O ATOM 1099 NE2 GLN A 70 -18.608 11.749 -24.775 1.00 0.00 N ATOM 0 H GLN A 70 -17.698 10.461 -20.999 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.863 10.126 -21.476 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -16.660 12.467 -22.191 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -15.140 12.023 -22.941 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -16.134 9.994 -23.874 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -17.635 10.293 -23.020 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -19.222 11.316 -24.086 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -19.005 12.292 -25.542 1.00 0.00 H new ATOM 1108 N LYS A 71 -14.204 12.679 -20.580 1.00 0.00 N ATOM 1109 CA LYS A 71 -13.609 13.650 -19.670 1.00 0.00 C ATOM 1110 C LYS A 71 -14.552 14.825 -19.435 1.00 0.00 C ATOM 1111 O LYS A 71 -14.273 15.703 -18.619 1.00 0.00 O ATOM 1112 CB LYS A 71 -12.277 14.154 -20.230 1.00 0.00 C ATOM 1113 CG LYS A 71 -12.415 14.911 -21.539 1.00 0.00 C ATOM 1114 CD LYS A 71 -11.933 14.081 -22.717 1.00 0.00 C ATOM 1115 CE LYS A 71 -11.406 14.960 -23.840 1.00 0.00 C ATOM 1116 NZ LYS A 71 -9.964 15.286 -23.660 1.00 0.00 N ATOM 0 H LYS A 71 -13.869 12.743 -21.541 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.431 13.155 -18.716 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.805 14.803 -19.493 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.611 13.304 -20.380 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.458 15.189 -21.691 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.843 15.837 -21.487 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.148 13.401 -22.387 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.752 13.466 -23.089 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.547 14.453 -24.795 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.985 15.883 -23.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.643 15.887 -24.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.832 15.792 -22.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.408 14.407 -23.647 1.00 0.00 H new ATOM 1130 N GLU A 72 -15.669 14.835 -20.155 1.00 0.00 N ATOM 1131 CA GLU A 72 -16.653 15.903 -20.024 1.00 0.00 C ATOM 1132 C GLU A 72 -18.049 15.332 -19.793 1.00 0.00 C ATOM 1133 O GLU A 72 -19.053 15.990 -20.063 1.00 0.00 O ATOM 1134 CB GLU A 72 -16.652 16.784 -21.275 1.00 0.00 C ATOM 1135 CG GLU A 72 -15.385 17.608 -21.438 1.00 0.00 C ATOM 1136 CD GLU A 72 -15.615 18.881 -22.228 1.00 0.00 C ATOM 1137 OE1 GLU A 72 -16.702 19.019 -22.827 1.00 0.00 O ATOM 1138 OE2 GLU A 72 -14.708 19.740 -22.248 1.00 0.00 O ATOM 0 H GLU A 72 -15.915 14.116 -20.835 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.380 16.509 -19.160 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -16.780 16.152 -22.154 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -17.510 17.455 -21.237 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.992 17.862 -20.454 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.627 17.006 -21.939 1.00 0.00 H new ATOM 1145 N SER A 73 -18.103 14.102 -19.291 1.00 0.00 N ATOM 1146 CA SER A 73 -19.375 13.439 -19.028 1.00 0.00 C ATOM 1147 C SER A 73 -20.043 14.021 -17.785 1.00 0.00 C ATOM 1148 O SER A 73 -19.388 14.636 -16.944 1.00 0.00 O ATOM 1149 CB SER A 73 -19.163 11.934 -18.849 1.00 0.00 C ATOM 1150 OG SER A 73 -20.074 11.399 -17.905 1.00 0.00 O ATOM 0 H SER A 73 -17.281 13.545 -19.058 1.00 0.00 H new ATOM 0 HA SER A 73 -20.028 13.607 -19.884 1.00 0.00 H new ATOM 0 HB2 SER A 73 -19.289 11.429 -19.807 1.00 0.00 H new ATOM 0 HB3 SER A 73 -18.141 11.744 -18.521 1.00 0.00 H new ATOM 0 HG SER A 73 -20.973 11.379 -18.294 1.00 0.00 H new ATOM 1156 N THR A 74 -21.353 13.821 -17.678 1.00 0.00 N ATOM 1157 CA THR A 74 -22.112 14.326 -16.540 1.00 0.00 C ATOM 1158 C THR A 74 -22.506 13.195 -15.597 1.00 0.00 C ATOM 1159 O THR A 74 -23.227 12.274 -15.982 1.00 0.00 O ATOM 1160 CB THR A 74 -23.384 15.065 -16.997 1.00 0.00 C ATOM 1161 OG1 THR A 74 -23.209 15.564 -18.327 1.00 0.00 O ATOM 1162 CG2 THR A 74 -23.709 16.215 -16.056 1.00 0.00 C ATOM 0 H THR A 74 -21.910 13.313 -18.365 1.00 0.00 H new ATOM 0 HA THR A 74 -21.464 15.026 -16.013 1.00 0.00 H new ATOM 0 HB THR A 74 -24.214 14.359 -16.981 1.00 0.00 H new ATOM 0 HG1 THR A 74 -24.022 16.031 -18.611 1.00 0.00 H new ATOM 0 HG21 THR A 74 -24.611 16.722 -16.399 1.00 0.00 H new ATOM 0 HG22 THR A 74 -23.871 15.827 -15.050 1.00 0.00 H new ATOM 0 HG23 THR A 74 -22.879 16.921 -16.044 1.00 0.00 H new ATOM 1170 N LEU A 75 -22.030 13.270 -14.359 1.00 0.00 N ATOM 1171 CA LEU A 75 -22.333 12.253 -13.359 1.00 0.00 C ATOM 1172 C LEU A 75 -23.275 12.801 -12.292 1.00 0.00 C ATOM 1173 O LEU A 75 -23.316 14.007 -12.046 1.00 0.00 O ATOM 1174 CB LEU A 75 -21.044 11.749 -12.708 1.00 0.00 C ATOM 1175 CG LEU A 75 -20.493 10.427 -13.244 1.00 0.00 C ATOM 1176 CD1 LEU A 75 -21.447 9.285 -12.931 1.00 0.00 C ATOM 1177 CD2 LEU A 75 -20.244 10.522 -14.742 1.00 0.00 C ATOM 0 H LEU A 75 -21.432 14.025 -14.024 1.00 0.00 H new ATOM 0 HA LEU A 75 -22.828 11.422 -13.861 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -20.277 12.514 -12.828 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -21.220 11.639 -11.638 1.00 0.00 H new ATOM 0 HG LEU A 75 -19.543 10.224 -12.750 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -21.038 8.352 -13.320 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -21.575 9.203 -11.852 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -22.413 9.480 -13.397 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -19.852 9.573 -15.107 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -21.180 10.748 -15.253 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -19.521 11.313 -14.941 1.00 0.00 H new ATOM 1189 N HIS A 76 -24.029 11.908 -11.660 1.00 0.00 N ATOM 1190 CA HIS A 76 -24.969 12.302 -10.616 1.00 0.00 C ATOM 1191 C HIS A 76 -24.806 11.425 -9.379 1.00 0.00 C ATOM 1192 O HIS A 76 -24.731 10.200 -9.479 1.00 0.00 O ATOM 1193 CB HIS A 76 -26.405 12.213 -11.134 1.00 0.00 C ATOM 1194 CG HIS A 76 -26.856 13.441 -11.864 1.00 0.00 C ATOM 1195 ND1 HIS A 76 -26.722 14.713 -11.350 1.00 0.00 N ATOM 1196 CD2 HIS A 76 -27.440 13.585 -13.076 1.00 0.00 C ATOM 1197 CE1 HIS A 76 -27.207 15.587 -12.214 1.00 0.00 C ATOM 1198 NE2 HIS A 76 -27.648 14.928 -13.270 1.00 0.00 N ATOM 0 H HIS A 76 -24.008 10.906 -11.852 1.00 0.00 H new ATOM 0 HA HIS A 76 -24.754 13.334 -10.338 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -26.490 11.353 -11.799 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -27.075 12.033 -10.293 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -27.695 12.791 -13.763 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -27.238 16.658 -12.080 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -28.074 15.349 -14.096 1.00 0.00 H new ATOM 1206 N LEU A 77 -24.752 12.060 -8.213 1.00 0.00 N ATOM 1207 CA LEU A 77 -24.597 11.337 -6.955 1.00 0.00 C ATOM 1208 C LEU A 77 -25.925 11.250 -6.210 1.00 0.00 C ATOM 1209 O LEU A 77 -26.479 12.265 -5.786 1.00 0.00 O ATOM 1210 CB LEU A 77 -23.550 12.023 -6.076 1.00 0.00 C ATOM 1211 CG LEU A 77 -22.368 12.656 -6.810 1.00 0.00 C ATOM 1212 CD1 LEU A 77 -21.540 13.505 -5.857 1.00 0.00 C ATOM 1213 CD2 LEU A 77 -21.505 11.583 -7.458 1.00 0.00 C ATOM 0 H LEU A 77 -24.813 13.073 -8.112 1.00 0.00 H new ATOM 0 HA LEU A 77 -24.263 10.325 -7.184 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -24.046 12.798 -5.492 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -23.162 11.290 -5.368 1.00 0.00 H new ATOM 0 HG LEU A 77 -22.758 13.303 -7.595 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -20.703 13.947 -6.397 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -22.163 14.297 -5.441 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -21.160 12.880 -5.049 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -20.669 12.052 -7.976 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -21.124 10.909 -6.690 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -22.103 11.018 -8.173 1.00 0.00 H new ATOM 1225 N VAL A 78 -26.431 10.031 -6.052 1.00 0.00 N ATOM 1226 CA VAL A 78 -27.692 9.811 -5.355 1.00 0.00 C ATOM 1227 C VAL A 78 -27.476 9.040 -4.057 1.00 0.00 C ATOM 1228 O VAL A 78 -26.959 7.922 -4.065 1.00 0.00 O ATOM 1229 CB VAL A 78 -28.693 9.041 -6.236 1.00 0.00 C ATOM 1230 CG1 VAL A 78 -29.276 9.953 -7.305 1.00 0.00 C ATOM 1231 CG2 VAL A 78 -28.025 7.828 -6.865 1.00 0.00 C ATOM 0 H VAL A 78 -25.986 9.181 -6.398 1.00 0.00 H new ATOM 0 HA VAL A 78 -28.102 10.794 -5.126 1.00 0.00 H new ATOM 0 HB VAL A 78 -29.511 8.691 -5.606 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -29.981 9.391 -7.918 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -29.793 10.787 -6.830 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -28.473 10.335 -7.935 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -28.747 7.295 -7.484 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -27.187 8.153 -7.482 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -27.661 7.165 -6.080 1.00 0.00 H new ATOM 1241 N LEU A 79 -27.876 9.643 -2.944 1.00 0.00 N ATOM 1242 CA LEU A 79 -27.727 9.013 -1.636 1.00 0.00 C ATOM 1243 C LEU A 79 -29.080 8.576 -1.085 1.00 0.00 C ATOM 1244 O LEU A 79 -30.070 9.299 -1.197 1.00 0.00 O ATOM 1245 CB LEU A 79 -27.052 9.977 -0.658 1.00 0.00 C ATOM 1246 CG LEU A 79 -25.533 10.101 -0.779 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -24.870 8.745 -0.596 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -25.152 10.707 -2.122 1.00 0.00 C ATOM 0 H LEU A 79 -28.306 10.568 -2.920 1.00 0.00 H new ATOM 0 HA LEU A 79 -27.101 8.128 -1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -27.489 10.966 -0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -27.291 9.660 0.357 1.00 0.00 H new ATOM 0 HG LEU A 79 -25.178 10.765 0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -23.789 8.853 -0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -25.115 8.350 0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -25.230 8.058 -1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -24.067 10.788 -2.190 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -25.520 10.070 -2.926 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -25.596 11.698 -2.213 1.00 0.00 H new