USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 410 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 17 ASN : amide:sc= 0.714 K(o=1.3,f=-6.9!) USER MOD Set 1.2: A 19 SER OG : rot -108:sc= 0.617 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -3.83 X(o=-3.8,f=-3.8!) USER MOD Single : A 16 ASN : amide:sc= -1.29 K(o=-1.3,f=-4.5!) USER MOD Single : A 20 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.0206) USER MOD Single : A 26 THR OG1 : rot -65:sc= 0.464 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -4.71! C(o=-4.7!,f=-9.5!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.557 K(o=-0.56,f=-7!) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 43 SER OG : rot 72:sc= 0.225 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 33:sc= 0.869 USER MOD Single : A 49 THR OG1 : rot -67:sc= -0.332 USER MOD Single : A 50 LYS NZ :NH3+ -112:sc= 0 (180deg=-0.0514) USER MOD Single : A 53 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.0606) USER MOD ----------------------------------------------------------------- ATOM 151 N GLY A 8 102.770 2.899 -1.506 1.00 0.00 N ATOM 152 CA GLY A 8 101.597 3.825 -1.537 1.00 0.00 C ATOM 153 C GLY A 8 101.667 4.742 -2.771 1.00 0.00 C ATOM 154 O GLY A 8 100.819 5.598 -2.950 1.00 0.00 O ATOM 0 HA2 GLY A 8 100.672 3.249 -1.557 1.00 0.00 H new ATOM 0 HA3 GLY A 8 101.578 4.428 -0.629 1.00 0.00 H new ATOM 158 N SER A 9 102.661 4.577 -3.619 1.00 0.00 N ATOM 159 CA SER A 9 102.762 5.436 -4.840 1.00 0.00 C ATOM 160 C SER A 9 101.954 4.820 -5.984 1.00 0.00 C ATOM 161 O SER A 9 101.933 3.614 -6.156 1.00 0.00 O ATOM 162 CB SER A 9 104.250 5.467 -5.190 1.00 0.00 C ATOM 163 OG SER A 9 104.458 6.353 -6.281 1.00 0.00 O ATOM 0 H SER A 9 103.403 3.885 -3.515 1.00 0.00 H new ATOM 0 HA SER A 9 102.366 6.438 -4.672 1.00 0.00 H new ATOM 0 HB2 SER A 9 104.831 5.792 -4.327 1.00 0.00 H new ATOM 0 HB3 SER A 9 104.595 4.466 -5.449 1.00 0.00 H new ATOM 0 HG SER A 9 105.411 6.376 -6.506 1.00 0.00 H new ATOM 169 N ASN A 10 101.293 5.637 -6.767 1.00 0.00 N ATOM 170 CA ASN A 10 100.519 5.107 -7.931 1.00 0.00 C ATOM 171 C ASN A 10 101.400 5.120 -9.183 1.00 0.00 C ATOM 172 O ASN A 10 101.796 6.166 -9.667 1.00 0.00 O ATOM 173 CB ASN A 10 99.323 6.064 -8.090 1.00 0.00 C ATOM 174 CG ASN A 10 98.027 5.266 -8.273 1.00 0.00 C ATOM 175 OD1 ASN A 10 97.016 5.587 -7.681 1.00 0.00 O ATOM 176 ND2 ASN A 10 98.012 4.235 -9.073 1.00 0.00 N ATOM 0 H ASN A 10 101.256 6.650 -6.649 1.00 0.00 H new ATOM 0 HA ASN A 10 100.188 4.079 -7.782 1.00 0.00 H new ATOM 0 HB2 ASN A 10 99.243 6.706 -7.213 1.00 0.00 H new ATOM 0 HB3 ASN A 10 99.481 6.716 -8.949 1.00 0.00 H new ATOM 0 HD21 ASN A 10 97.153 3.701 -9.200 1.00 0.00 H new ATOM 0 HD22 ASN A 10 98.860 3.964 -9.571 1.00 0.00 H new ATOM 183 N VAL A 11 101.707 3.959 -9.708 1.00 0.00 N ATOM 184 CA VAL A 11 102.589 3.878 -10.912 1.00 0.00 C ATOM 185 C VAL A 11 101.988 2.912 -11.935 1.00 0.00 C ATOM 186 O VAL A 11 101.113 2.127 -11.613 1.00 0.00 O ATOM 187 CB VAL A 11 103.946 3.357 -10.400 1.00 0.00 C ATOM 188 CG1 VAL A 11 104.552 4.373 -9.429 1.00 0.00 C ATOM 189 CG2 VAL A 11 103.766 2.014 -9.678 1.00 0.00 C ATOM 0 H VAL A 11 101.382 3.060 -9.352 1.00 0.00 H new ATOM 0 HA VAL A 11 102.697 4.843 -11.407 1.00 0.00 H new ATOM 0 HB VAL A 11 104.610 3.217 -11.253 1.00 0.00 H new ATOM 0 HG11 VAL A 11 105.512 4.003 -9.068 1.00 0.00 H new ATOM 0 HG12 VAL A 11 104.699 5.323 -9.942 1.00 0.00 H new ATOM 0 HG13 VAL A 11 103.877 4.517 -8.585 1.00 0.00 H new ATOM 0 HG21 VAL A 11 104.733 1.660 -9.322 1.00 0.00 H new ATOM 0 HG22 VAL A 11 103.093 2.144 -8.830 1.00 0.00 H new ATOM 0 HG23 VAL A 11 103.343 1.284 -10.368 1.00 0.00 H new ATOM 199 N GLU A 12 102.446 2.963 -13.163 1.00 0.00 N ATOM 200 CA GLU A 12 102.001 1.958 -14.174 1.00 0.00 C ATOM 201 C GLU A 12 103.211 1.160 -14.671 1.00 0.00 C ATOM 202 O GLU A 12 104.305 1.678 -14.772 1.00 0.00 O ATOM 203 CB GLU A 12 101.383 2.783 -15.309 1.00 0.00 C ATOM 204 CG GLU A 12 100.866 1.853 -16.415 1.00 0.00 C ATOM 205 CD GLU A 12 100.254 2.686 -17.545 1.00 0.00 C ATOM 206 OE1 GLU A 12 99.555 3.640 -17.242 1.00 0.00 O ATOM 207 OE2 GLU A 12 100.496 2.356 -18.693 1.00 0.00 O ATOM 0 H GLU A 12 103.109 3.658 -13.507 1.00 0.00 H new ATOM 0 HA GLU A 12 101.288 1.239 -13.770 1.00 0.00 H new ATOM 0 HB2 GLU A 12 100.565 3.392 -14.923 1.00 0.00 H new ATOM 0 HB3 GLU A 12 102.126 3.469 -15.717 1.00 0.00 H new ATOM 0 HG2 GLU A 12 101.682 1.242 -16.801 1.00 0.00 H new ATOM 0 HG3 GLU A 12 100.120 1.169 -16.009 1.00 0.00 H new ATOM 214 N VAL A 13 103.018 -0.097 -14.976 1.00 0.00 N ATOM 215 CA VAL A 13 104.137 -0.918 -15.529 1.00 0.00 C ATOM 216 C VAL A 13 103.643 -1.722 -16.733 1.00 0.00 C ATOM 217 O VAL A 13 102.522 -2.199 -16.745 1.00 0.00 O ATOM 218 CB VAL A 13 104.565 -1.847 -14.377 1.00 0.00 C ATOM 219 CG1 VAL A 13 103.446 -2.840 -14.034 1.00 0.00 C ATOM 220 CG2 VAL A 13 105.811 -2.629 -14.792 1.00 0.00 C ATOM 0 H VAL A 13 102.133 -0.591 -14.866 1.00 0.00 H new ATOM 0 HA VAL A 13 104.972 -0.309 -15.877 1.00 0.00 H new ATOM 0 HB VAL A 13 104.776 -1.235 -13.500 1.00 0.00 H new ATOM 0 HG11 VAL A 13 103.770 -3.486 -13.218 1.00 0.00 H new ATOM 0 HG12 VAL A 13 102.554 -2.292 -13.731 1.00 0.00 H new ATOM 0 HG13 VAL A 13 103.218 -3.448 -14.909 1.00 0.00 H new ATOM 0 HG21 VAL A 13 106.115 -3.287 -13.978 1.00 0.00 H new ATOM 0 HG22 VAL A 13 105.588 -3.225 -15.677 1.00 0.00 H new ATOM 0 HG23 VAL A 13 106.619 -1.933 -15.017 1.00 0.00 H new ATOM 230 N LEU A 14 104.463 -1.874 -17.742 1.00 0.00 N ATOM 231 CA LEU A 14 104.105 -2.835 -18.831 1.00 0.00 C ATOM 232 C LEU A 14 104.778 -4.174 -18.567 1.00 0.00 C ATOM 233 O LEU A 14 105.941 -4.233 -18.210 1.00 0.00 O ATOM 234 CB LEU A 14 104.617 -2.264 -20.162 1.00 0.00 C ATOM 235 CG LEU A 14 104.219 -0.787 -20.392 1.00 0.00 C ATOM 236 CD1 LEU A 14 104.070 -0.559 -21.899 1.00 0.00 C ATOM 237 CD2 LEU A 14 102.896 -0.430 -19.695 1.00 0.00 C ATOM 0 H LEU A 14 105.350 -1.384 -17.859 1.00 0.00 H new ATOM 0 HA LEU A 14 103.025 -2.978 -18.868 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.703 -2.348 -20.191 1.00 0.00 H new ATOM 0 HB3 LEU A 14 104.229 -2.869 -20.981 1.00 0.00 H new ATOM 0 HG LEU A 14 104.996 -0.151 -19.968 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.789 0.478 -22.084 1.00 0.00 H new ATOM 0 HD12 LEU A 14 105.017 -0.772 -22.395 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.298 -1.220 -22.292 1.00 0.00 H new ATOM 0 HD21 LEU A 14 102.656 0.616 -19.884 1.00 0.00 H new ATOM 0 HD22 LEU A 14 102.098 -1.061 -20.085 1.00 0.00 H new ATOM 0 HD23 LEU A 14 102.995 -0.592 -18.622 1.00 0.00 H new ATOM 249 N LEU A 15 104.056 -5.246 -18.739 1.00 0.00 N ATOM 250 CA LEU A 15 104.671 -6.593 -18.554 1.00 0.00 C ATOM 251 C LEU A 15 105.390 -7.024 -19.836 1.00 0.00 C ATOM 252 O LEU A 15 105.354 -6.337 -20.839 1.00 0.00 O ATOM 253 CB LEU A 15 103.508 -7.540 -18.238 1.00 0.00 C ATOM 254 CG LEU A 15 102.854 -7.138 -16.913 1.00 0.00 C ATOM 255 CD1 LEU A 15 101.547 -7.912 -16.733 1.00 0.00 C ATOM 256 CD2 LEU A 15 103.801 -7.465 -15.755 1.00 0.00 C ATOM 0 H LEU A 15 103.070 -5.250 -18.999 1.00 0.00 H new ATOM 0 HA LEU A 15 105.413 -6.597 -17.756 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.772 -7.507 -19.041 1.00 0.00 H new ATOM 0 HB3 LEU A 15 103.869 -8.567 -18.179 1.00 0.00 H new ATOM 0 HG LEU A 15 102.646 -6.068 -16.922 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.082 -7.626 -15.790 1.00 0.00 H new ATOM 0 HD12 LEU A 15 100.871 -7.681 -17.556 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.756 -8.982 -16.725 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.335 -7.179 -14.812 1.00 0.00 H new ATOM 0 HD22 LEU A 15 104.010 -8.535 -15.747 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.733 -6.915 -15.881 1.00 0.00 H new ATOM 268 N ASN A 16 106.042 -8.162 -19.803 1.00 0.00 N ATOM 269 CA ASN A 16 106.845 -8.635 -20.987 1.00 0.00 C ATOM 270 C ASN A 16 105.978 -8.728 -22.254 1.00 0.00 C ATOM 271 O ASN A 16 106.486 -8.687 -23.360 1.00 0.00 O ATOM 272 CB ASN A 16 107.381 -10.023 -20.595 1.00 0.00 C ATOM 273 CG ASN A 16 106.221 -10.973 -20.267 1.00 0.00 C ATOM 274 OD1 ASN A 16 105.374 -11.227 -21.101 1.00 0.00 O ATOM 275 ND2 ASN A 16 106.147 -11.509 -19.080 1.00 0.00 N ATOM 0 H ASN A 16 106.055 -8.792 -19.001 1.00 0.00 H new ATOM 0 HA ASN A 16 107.650 -7.938 -21.220 1.00 0.00 H new ATOM 0 HB2 ASN A 16 107.976 -10.434 -21.411 1.00 0.00 H new ATOM 0 HB3 ASN A 16 108.041 -9.934 -19.732 1.00 0.00 H new ATOM 0 HD21 ASN A 16 105.379 -12.141 -18.853 1.00 0.00 H new ATOM 0 HD22 ASN A 16 106.857 -11.297 -18.379 1.00 0.00 H new ATOM 282 N ASN A 17 104.683 -8.852 -22.099 1.00 0.00 N ATOM 283 CA ASN A 17 103.792 -9.019 -23.289 1.00 0.00 C ATOM 284 C ASN A 17 103.115 -7.688 -23.663 1.00 0.00 C ATOM 285 O ASN A 17 102.053 -7.682 -24.257 1.00 0.00 O ATOM 286 CB ASN A 17 102.751 -10.072 -22.869 1.00 0.00 C ATOM 287 CG ASN A 17 101.907 -9.571 -21.684 1.00 0.00 C ATOM 288 OD1 ASN A 17 102.293 -8.654 -20.985 1.00 0.00 O ATOM 289 ND2 ASN A 17 100.763 -10.146 -21.431 1.00 0.00 N ATOM 0 H ASN A 17 104.204 -8.845 -21.199 1.00 0.00 H new ATOM 0 HA ASN A 17 104.349 -9.332 -24.172 1.00 0.00 H new ATOM 0 HB2 ASN A 17 102.100 -10.301 -23.713 1.00 0.00 H new ATOM 0 HB3 ASN A 17 103.256 -10.998 -22.595 1.00 0.00 H new ATOM 0 HD21 ASN A 17 100.194 -9.826 -20.648 1.00 0.00 H new ATOM 0 HD22 ASN A 17 100.438 -10.915 -22.017 1.00 0.00 H new ATOM 296 N ASP A 18 103.717 -6.560 -23.319 1.00 0.00 N ATOM 297 CA ASP A 18 103.163 -5.224 -23.731 1.00 0.00 C ATOM 298 C ASP A 18 101.729 -5.047 -23.213 1.00 0.00 C ATOM 299 O ASP A 18 100.945 -4.311 -23.784 1.00 0.00 O ATOM 300 CB ASP A 18 103.192 -5.199 -25.268 1.00 0.00 C ATOM 301 CG ASP A 18 104.639 -5.288 -25.760 1.00 0.00 C ATOM 302 OD1 ASP A 18 105.486 -4.634 -25.173 1.00 0.00 O ATOM 303 OD2 ASP A 18 104.876 -6.008 -26.715 1.00 0.00 O ATOM 0 H ASP A 18 104.573 -6.513 -22.767 1.00 0.00 H new ATOM 0 HA ASP A 18 103.753 -4.408 -23.313 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.611 -6.031 -25.666 1.00 0.00 H new ATOM 0 HB3 ASP A 18 102.729 -4.283 -25.635 1.00 0.00 H new ATOM 308 N SER A 19 101.381 -5.721 -22.138 1.00 0.00 N ATOM 309 CA SER A 19 100.089 -5.427 -21.451 1.00 0.00 C ATOM 310 C SER A 19 100.342 -4.420 -20.332 1.00 0.00 C ATOM 311 O SER A 19 101.267 -4.571 -19.554 1.00 0.00 O ATOM 312 CB SER A 19 99.619 -6.768 -20.883 1.00 0.00 C ATOM 313 OG SER A 19 100.457 -7.143 -19.796 1.00 0.00 O ATOM 0 H SER A 19 101.939 -6.460 -21.711 1.00 0.00 H new ATOM 0 HA SER A 19 99.340 -4.999 -22.117 1.00 0.00 H new ATOM 0 HB2 SER A 19 98.584 -6.691 -20.549 1.00 0.00 H new ATOM 0 HB3 SER A 19 99.647 -7.533 -21.659 1.00 0.00 H new ATOM 0 HG SER A 19 101.029 -7.891 -20.067 1.00 0.00 H new ATOM 319 N LYS A 20 99.533 -3.396 -20.241 1.00 0.00 N ATOM 320 CA LYS A 20 99.842 -2.280 -19.295 1.00 0.00 C ATOM 321 C LYS A 20 98.858 -2.284 -18.122 1.00 0.00 C ATOM 322 O LYS A 20 97.665 -2.445 -18.301 1.00 0.00 O ATOM 323 CB LYS A 20 99.680 -0.981 -20.108 1.00 0.00 C ATOM 324 CG LYS A 20 100.328 -1.111 -21.495 1.00 0.00 C ATOM 325 CD LYS A 20 100.370 0.261 -22.171 1.00 0.00 C ATOM 326 CE LYS A 20 100.897 0.112 -23.601 1.00 0.00 C ATOM 327 NZ LYS A 20 99.704 -0.247 -24.415 1.00 0.00 N ATOM 0 H LYS A 20 98.674 -3.284 -20.779 1.00 0.00 H new ATOM 0 HA LYS A 20 100.845 -2.379 -18.881 1.00 0.00 H new ATOM 0 HB2 LYS A 20 98.621 -0.747 -20.219 1.00 0.00 H new ATOM 0 HB3 LYS A 20 100.135 -0.151 -19.567 1.00 0.00 H new ATOM 0 HG2 LYS A 20 101.337 -1.512 -21.400 1.00 0.00 H new ATOM 0 HG3 LYS A 20 99.762 -1.813 -22.108 1.00 0.00 H new ATOM 0 HD2 LYS A 20 99.373 0.702 -22.184 1.00 0.00 H new ATOM 0 HD3 LYS A 20 101.011 0.937 -21.605 1.00 0.00 H new ATOM 0 HE2 LYS A 20 101.351 1.038 -23.953 1.00 0.00 H new ATOM 0 HE3 LYS A 20 101.663 -0.661 -23.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 99.987 -0.892 -25.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 98.999 -0.715 -23.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 99.291 0.615 -24.824 1.00 0.00 H new ATOM 341 N ALA A 21 99.359 -2.106 -16.923 1.00 0.00 N ATOM 342 CA ALA A 21 98.465 -1.996 -15.730 1.00 0.00 C ATOM 343 C ALA A 21 99.022 -0.951 -14.758 1.00 0.00 C ATOM 344 O ALA A 21 100.214 -0.707 -14.720 1.00 0.00 O ATOM 345 CB ALA A 21 98.482 -3.386 -15.092 1.00 0.00 C ATOM 0 H ALA A 21 100.356 -2.032 -16.720 1.00 0.00 H new ATOM 0 HA ALA A 21 97.454 -1.684 -15.993 1.00 0.00 H new ATOM 0 HB1 ALA A 21 97.847 -3.388 -14.206 1.00 0.00 H new ATOM 0 HB2 ALA A 21 98.109 -4.119 -15.807 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.502 -3.643 -14.807 1.00 0.00 H new ATOM 351 N ARG A 22 98.169 -0.334 -13.974 1.00 0.00 N ATOM 352 CA ARG A 22 98.649 0.707 -13.010 1.00 0.00 C ATOM 353 C ARG A 22 97.858 0.638 -11.703 1.00 0.00 C ATOM 354 O ARG A 22 96.719 0.213 -11.680 1.00 0.00 O ATOM 355 CB ARG A 22 98.427 2.056 -13.715 1.00 0.00 C ATOM 356 CG ARG A 22 96.942 2.251 -14.050 1.00 0.00 C ATOM 357 CD ARG A 22 96.779 3.473 -14.959 1.00 0.00 C ATOM 358 NE ARG A 22 95.300 3.664 -15.108 1.00 0.00 N ATOM 359 CZ ARG A 22 94.796 4.417 -16.068 1.00 0.00 C ATOM 360 NH1 ARG A 22 95.566 5.035 -16.934 1.00 0.00 N ATOM 361 NH2 ARG A 22 93.501 4.551 -16.157 1.00 0.00 N ATOM 0 H ARG A 22 97.164 -0.506 -13.960 1.00 0.00 H new ATOM 0 HA ARG A 22 99.696 0.561 -12.746 1.00 0.00 H new ATOM 0 HB2 ARG A 22 98.771 2.868 -13.075 1.00 0.00 H new ATOM 0 HB3 ARG A 22 99.020 2.097 -14.629 1.00 0.00 H new ATOM 0 HG2 ARG A 22 96.550 1.362 -14.544 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.366 2.386 -13.134 1.00 0.00 H new ATOM 0 HD2 ARG A 22 97.247 4.354 -14.520 1.00 0.00 H new ATOM 0 HD3 ARG A 22 97.253 3.309 -15.927 1.00 0.00 H new ATOM 0 HE ARG A 22 94.669 3.202 -14.453 1.00 0.00 H new ATOM 0 HH11 ARG A 22 96.580 4.939 -16.874 1.00 0.00 H new ATOM 0 HH12 ARG A 22 95.150 5.611 -17.666 1.00 0.00 H new ATOM 0 HH21 ARG A 22 92.892 4.077 -15.490 1.00 0.00 H new ATOM 0 HH22 ARG A 22 93.098 5.130 -16.894 1.00 0.00 H new ATOM 375 N GLY A 23 98.464 1.054 -10.617 1.00 0.00 N ATOM 376 CA GLY A 23 97.758 1.031 -9.302 1.00 0.00 C ATOM 377 C GLY A 23 98.701 1.540 -8.210 1.00 0.00 C ATOM 378 O GLY A 23 99.803 1.974 -8.490 1.00 0.00 O ATOM 0 H GLY A 23 99.420 1.409 -10.587 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.864 1.654 -9.346 1.00 0.00 H new ATOM 0 HA3 GLY A 23 97.429 0.018 -9.071 1.00 0.00 H new ATOM 382 N VAL A 24 98.278 1.488 -6.970 1.00 0.00 N ATOM 383 CA VAL A 24 99.121 2.034 -5.859 1.00 0.00 C ATOM 384 C VAL A 24 99.926 0.900 -5.213 1.00 0.00 C ATOM 385 O VAL A 24 99.390 -0.132 -4.864 1.00 0.00 O ATOM 386 CB VAL A 24 98.128 2.648 -4.858 1.00 0.00 C ATOM 387 CG1 VAL A 24 98.891 3.265 -3.682 1.00 0.00 C ATOM 388 CG2 VAL A 24 97.309 3.746 -5.549 1.00 0.00 C ATOM 0 H VAL A 24 97.385 1.091 -6.679 1.00 0.00 H new ATOM 0 HA VAL A 24 99.840 2.776 -6.207 1.00 0.00 H new ATOM 0 HB VAL A 24 97.463 1.864 -4.495 1.00 0.00 H new ATOM 0 HG11 VAL A 24 98.183 3.699 -2.976 1.00 0.00 H new ATOM 0 HG12 VAL A 24 99.475 2.493 -3.182 1.00 0.00 H new ATOM 0 HG13 VAL A 24 99.559 4.044 -4.050 1.00 0.00 H new ATOM 0 HG21 VAL A 24 96.607 4.179 -4.837 1.00 0.00 H new ATOM 0 HG22 VAL A 24 97.979 4.524 -5.916 1.00 0.00 H new ATOM 0 HG23 VAL A 24 96.759 3.317 -6.386 1.00 0.00 H new ATOM 398 N ILE A 25 101.211 1.095 -5.054 1.00 0.00 N ATOM 399 CA ILE A 25 102.086 0.004 -4.507 1.00 0.00 C ATOM 400 C ILE A 25 101.769 -0.230 -3.024 1.00 0.00 C ATOM 401 O ILE A 25 101.513 0.702 -2.283 1.00 0.00 O ATOM 402 CB ILE A 25 103.531 0.512 -4.692 1.00 0.00 C ATOM 403 CG1 ILE A 25 103.813 0.718 -6.187 1.00 0.00 C ATOM 404 CG2 ILE A 25 104.539 -0.502 -4.129 1.00 0.00 C ATOM 405 CD1 ILE A 25 105.117 1.502 -6.360 1.00 0.00 C ATOM 0 H ILE A 25 101.696 1.964 -5.279 1.00 0.00 H new ATOM 0 HA ILE A 25 101.931 -0.948 -5.015 1.00 0.00 H new ATOM 0 HB ILE A 25 103.638 1.454 -4.155 1.00 0.00 H new ATOM 0 HG12 ILE A 25 103.887 -0.246 -6.690 1.00 0.00 H new ATOM 0 HG13 ILE A 25 102.988 1.257 -6.652 1.00 0.00 H new ATOM 0 HG21 ILE A 25 105.552 -0.125 -4.270 1.00 0.00 H new ATOM 0 HG22 ILE A 25 104.351 -0.650 -3.066 1.00 0.00 H new ATOM 0 HG23 ILE A 25 104.430 -1.452 -4.652 1.00 0.00 H new ATOM 0 HD11 ILE A 25 105.316 1.647 -7.422 1.00 0.00 H new ATOM 0 HD12 ILE A 25 105.026 2.472 -5.872 1.00 0.00 H new ATOM 0 HD13 ILE A 25 105.939 0.945 -5.910 1.00 0.00 H new ATOM 417 N THR A 26 101.786 -1.470 -2.593 1.00 0.00 N ATOM 418 CA THR A 26 101.530 -1.774 -1.152 1.00 0.00 C ATOM 419 C THR A 26 102.670 -2.598 -0.540 1.00 0.00 C ATOM 420 O THR A 26 103.014 -2.410 0.613 1.00 0.00 O ATOM 421 CB THR A 26 100.227 -2.574 -1.135 1.00 0.00 C ATOM 422 OG1 THR A 26 100.331 -3.669 -2.034 1.00 0.00 O ATOM 423 CG2 THR A 26 99.064 -1.674 -1.555 1.00 0.00 C ATOM 0 H THR A 26 101.967 -2.284 -3.180 1.00 0.00 H new ATOM 0 HA THR A 26 101.464 -0.860 -0.561 1.00 0.00 H new ATOM 0 HB THR A 26 100.046 -2.948 -0.127 1.00 0.00 H new ATOM 0 HG1 THR A 26 100.421 -3.333 -2.950 1.00 0.00 H new ATOM 0 HG21 THR A 26 98.137 -2.247 -1.542 1.00 0.00 H new ATOM 0 HG22 THR A 26 98.983 -0.837 -0.862 1.00 0.00 H new ATOM 0 HG23 THR A 26 99.242 -1.295 -2.561 1.00 0.00 H new ATOM 431 N ASN A 27 103.265 -3.506 -1.289 1.00 0.00 N ATOM 432 CA ASN A 27 104.265 -4.433 -0.670 1.00 0.00 C ATOM 433 C ASN A 27 105.445 -4.680 -1.613 1.00 0.00 C ATOM 434 O ASN A 27 105.307 -4.636 -2.820 1.00 0.00 O ATOM 435 CB ASN A 27 103.497 -5.732 -0.425 1.00 0.00 C ATOM 436 CG ASN A 27 104.304 -6.634 0.511 1.00 0.00 C ATOM 437 OD1 ASN A 27 104.583 -6.269 1.634 1.00 0.00 O ATOM 438 ND2 ASN A 27 104.693 -7.807 0.090 1.00 0.00 N ATOM 0 H ASN A 27 103.102 -3.641 -2.287 1.00 0.00 H new ATOM 0 HA ASN A 27 104.686 -4.020 0.247 1.00 0.00 H new ATOM 0 HB2 ASN A 27 102.523 -5.514 0.013 1.00 0.00 H new ATOM 0 HB3 ASN A 27 103.314 -6.242 -1.371 1.00 0.00 H new ATOM 0 HD21 ASN A 27 105.232 -8.417 0.705 1.00 0.00 H new ATOM 0 HD22 ASN A 27 104.458 -8.114 -0.854 1.00 0.00 H new ATOM 445 N PHE A 28 106.603 -4.938 -1.057 1.00 0.00 N ATOM 446 CA PHE A 28 107.786 -5.322 -1.885 1.00 0.00 C ATOM 447 C PHE A 28 108.692 -6.260 -1.085 1.00 0.00 C ATOM 448 O PHE A 28 108.996 -6.008 0.066 1.00 0.00 O ATOM 449 CB PHE A 28 108.505 -4.009 -2.191 1.00 0.00 C ATOM 450 CG PHE A 28 109.683 -4.171 -3.122 1.00 0.00 C ATOM 451 CD1 PHE A 28 109.476 -4.599 -4.456 1.00 0.00 C ATOM 452 CD2 PHE A 28 110.993 -3.894 -2.661 1.00 0.00 C ATOM 453 CE1 PHE A 28 110.580 -4.750 -5.329 1.00 0.00 C ATOM 454 CE2 PHE A 28 112.097 -4.045 -3.534 1.00 0.00 C ATOM 455 CZ PHE A 28 111.890 -4.473 -4.868 1.00 0.00 C ATOM 0 H PHE A 28 106.780 -4.898 -0.053 1.00 0.00 H new ATOM 0 HA PHE A 28 107.504 -5.846 -2.798 1.00 0.00 H new ATOM 0 HB2 PHE A 28 107.796 -3.310 -2.634 1.00 0.00 H new ATOM 0 HB3 PHE A 28 108.849 -3.566 -1.256 1.00 0.00 H new ATOM 0 HD1 PHE A 28 108.477 -4.810 -4.807 1.00 0.00 H new ATOM 0 HD2 PHE A 28 111.150 -3.568 -1.644 1.00 0.00 H new ATOM 0 HE1 PHE A 28 110.423 -5.076 -6.346 1.00 0.00 H new ATOM 0 HE2 PHE A 28 113.096 -3.834 -3.183 1.00 0.00 H new ATOM 0 HZ PHE A 28 112.732 -4.588 -5.534 1.00 0.00 H new ATOM 465 N ASP A 29 109.122 -7.339 -1.690 1.00 0.00 N ATOM 466 CA ASP A 29 109.957 -8.339 -0.957 1.00 0.00 C ATOM 467 C ASP A 29 111.296 -8.523 -1.672 1.00 0.00 C ATOM 468 O ASP A 29 111.338 -8.892 -2.829 1.00 0.00 O ATOM 469 CB ASP A 29 109.145 -9.635 -0.994 1.00 0.00 C ATOM 470 CG ASP A 29 109.798 -10.678 -0.083 1.00 0.00 C ATOM 471 OD1 ASP A 29 110.187 -10.317 1.017 1.00 0.00 O ATOM 472 OD2 ASP A 29 109.898 -11.820 -0.501 1.00 0.00 O ATOM 0 H ASP A 29 108.930 -7.571 -2.664 1.00 0.00 H new ATOM 0 HA ASP A 29 110.179 -8.029 0.064 1.00 0.00 H new ATOM 0 HB2 ASP A 29 108.122 -9.444 -0.670 1.00 0.00 H new ATOM 0 HB3 ASP A 29 109.091 -10.013 -2.015 1.00 0.00 H new ATOM 477 N SER A 30 112.384 -8.267 -0.987 1.00 0.00 N ATOM 478 CA SER A 30 113.733 -8.411 -1.624 1.00 0.00 C ATOM 479 C SER A 30 114.072 -9.889 -1.858 1.00 0.00 C ATOM 480 O SER A 30 114.838 -10.220 -2.744 1.00 0.00 O ATOM 481 CB SER A 30 114.719 -7.790 -0.632 1.00 0.00 C ATOM 482 OG SER A 30 114.777 -8.594 0.539 1.00 0.00 O ATOM 0 H SER A 30 112.397 -7.964 -0.013 1.00 0.00 H new ATOM 0 HA SER A 30 113.770 -7.923 -2.598 1.00 0.00 H new ATOM 0 HB2 SER A 30 115.708 -7.714 -1.084 1.00 0.00 H new ATOM 0 HB3 SER A 30 114.406 -6.777 -0.377 1.00 0.00 H new ATOM 0 HG SER A 30 115.409 -8.200 1.176 1.00 0.00 H new ATOM 488 N SER A 31 113.506 -10.779 -1.073 1.00 0.00 N ATOM 489 CA SER A 31 113.844 -12.237 -1.207 1.00 0.00 C ATOM 490 C SER A 31 113.463 -12.758 -2.598 1.00 0.00 C ATOM 491 O SER A 31 114.259 -13.393 -3.267 1.00 0.00 O ATOM 492 CB SER A 31 113.019 -12.946 -0.130 1.00 0.00 C ATOM 493 OG SER A 31 113.426 -14.306 -0.049 1.00 0.00 O ATOM 0 H SER A 31 112.825 -10.560 -0.346 1.00 0.00 H new ATOM 0 HA SER A 31 114.913 -12.414 -1.086 1.00 0.00 H new ATOM 0 HB2 SER A 31 113.157 -12.455 0.833 1.00 0.00 H new ATOM 0 HB3 SER A 31 111.957 -12.885 -0.369 1.00 0.00 H new ATOM 0 HG SER A 31 112.902 -14.764 0.641 1.00 0.00 H new ATOM 499 N ASN A 32 112.255 -12.494 -3.035 1.00 0.00 N ATOM 500 CA ASN A 32 111.815 -12.970 -4.385 1.00 0.00 C ATOM 501 C ASN A 32 111.328 -11.802 -5.259 1.00 0.00 C ATOM 502 O ASN A 32 110.755 -12.013 -6.312 1.00 0.00 O ATOM 503 CB ASN A 32 110.665 -13.937 -4.102 1.00 0.00 C ATOM 504 CG ASN A 32 110.357 -14.747 -5.362 1.00 0.00 C ATOM 505 OD1 ASN A 32 109.345 -14.539 -6.001 1.00 0.00 O ATOM 506 ND2 ASN A 32 111.193 -15.672 -5.750 1.00 0.00 N ATOM 0 H ASN A 32 111.553 -11.968 -2.514 1.00 0.00 H new ATOM 0 HA ASN A 32 112.633 -13.439 -4.932 1.00 0.00 H new ATOM 0 HB2 ASN A 32 110.931 -14.606 -3.283 1.00 0.00 H new ATOM 0 HB3 ASN A 32 109.780 -13.384 -3.787 1.00 0.00 H new ATOM 0 HD21 ASN A 32 110.996 -16.218 -6.588 1.00 0.00 H new ATOM 0 HD22 ASN A 32 112.043 -15.848 -5.215 1.00 0.00 H new ATOM 513 N SER A 33 111.553 -10.569 -4.835 1.00 0.00 N ATOM 514 CA SER A 33 111.105 -9.373 -5.632 1.00 0.00 C ATOM 515 C SER A 33 109.618 -9.483 -6.011 1.00 0.00 C ATOM 516 O SER A 33 109.268 -9.623 -7.170 1.00 0.00 O ATOM 517 CB SER A 33 111.991 -9.362 -6.884 1.00 0.00 C ATOM 518 OG SER A 33 113.347 -9.564 -6.503 1.00 0.00 O ATOM 0 H SER A 33 112.032 -10.342 -3.963 1.00 0.00 H new ATOM 0 HA SER A 33 111.203 -8.451 -5.059 1.00 0.00 H new ATOM 0 HB2 SER A 33 111.675 -10.144 -7.574 1.00 0.00 H new ATOM 0 HB3 SER A 33 111.886 -8.413 -7.409 1.00 0.00 H new ATOM 0 HG SER A 33 113.915 -9.559 -7.301 1.00 0.00 H new ATOM 524 N ILE A 34 108.744 -9.422 -5.034 1.00 0.00 N ATOM 525 CA ILE A 34 107.277 -9.528 -5.320 1.00 0.00 C ATOM 526 C ILE A 34 106.581 -8.213 -4.945 1.00 0.00 C ATOM 527 O ILE A 34 106.785 -7.681 -3.872 1.00 0.00 O ATOM 528 CB ILE A 34 106.763 -10.687 -4.447 1.00 0.00 C ATOM 529 CG1 ILE A 34 107.583 -11.971 -4.706 1.00 0.00 C ATOM 530 CG2 ILE A 34 105.285 -10.952 -4.759 1.00 0.00 C ATOM 531 CD1 ILE A 34 107.485 -12.415 -6.178 1.00 0.00 C ATOM 0 H ILE A 34 108.984 -9.303 -4.050 1.00 0.00 H new ATOM 0 HA ILE A 34 107.075 -9.712 -6.375 1.00 0.00 H new ATOM 0 HB ILE A 34 106.874 -10.407 -3.399 1.00 0.00 H new ATOM 0 HG12 ILE A 34 108.627 -11.796 -4.446 1.00 0.00 H new ATOM 0 HG13 ILE A 34 107.223 -12.771 -4.059 1.00 0.00 H new ATOM 0 HG21 ILE A 34 104.924 -11.773 -4.140 1.00 0.00 H new ATOM 0 HG22 ILE A 34 104.702 -10.055 -4.549 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.177 -11.216 -5.811 1.00 0.00 H new ATOM 0 HD11 ILE A 34 108.073 -13.321 -6.325 1.00 0.00 H new ATOM 0 HD12 ILE A 34 106.443 -12.614 -6.429 1.00 0.00 H new ATOM 0 HD13 ILE A 34 107.869 -11.624 -6.823 1.00 0.00 H new ATOM 543 N LEU A 35 105.762 -7.695 -5.828 1.00 0.00 N ATOM 544 CA LEU A 35 105.141 -6.352 -5.598 1.00 0.00 C ATOM 545 C LEU A 35 103.615 -6.462 -5.629 1.00 0.00 C ATOM 546 O LEU A 35 103.039 -6.925 -6.597 1.00 0.00 O ATOM 547 CB LEU A 35 105.642 -5.497 -6.763 1.00 0.00 C ATOM 548 CG LEU A 35 105.217 -4.038 -6.562 1.00 0.00 C ATOM 549 CD1 LEU A 35 106.259 -3.311 -5.709 1.00 0.00 C ATOM 550 CD2 LEU A 35 105.106 -3.350 -7.926 1.00 0.00 C ATOM 0 H LEU A 35 105.495 -8.147 -6.703 1.00 0.00 H new ATOM 0 HA LEU A 35 105.405 -5.928 -4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 35 106.728 -5.562 -6.832 1.00 0.00 H new ATOM 0 HB3 LEU A 35 105.239 -5.876 -7.702 1.00 0.00 H new ATOM 0 HG LEU A 35 104.252 -4.008 -6.056 1.00 0.00 H new ATOM 0 HD11 LEU A 35 105.954 -2.274 -5.568 1.00 0.00 H new ATOM 0 HD12 LEU A 35 106.341 -3.801 -4.739 1.00 0.00 H new ATOM 0 HD13 LEU A 35 107.225 -3.340 -6.212 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.804 -2.312 -7.786 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.072 -3.382 -8.429 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.363 -3.866 -8.534 1.00 0.00 H new ATOM 562 N GLN A 36 102.964 -6.037 -4.576 1.00 0.00 N ATOM 563 CA GLN A 36 101.473 -6.002 -4.575 1.00 0.00 C ATOM 564 C GLN A 36 100.988 -4.596 -4.928 1.00 0.00 C ATOM 565 O GLN A 36 101.403 -3.622 -4.326 1.00 0.00 O ATOM 566 CB GLN A 36 101.063 -6.370 -3.149 1.00 0.00 C ATOM 567 CG GLN A 36 101.281 -7.867 -2.924 1.00 0.00 C ATOM 568 CD GLN A 36 100.869 -8.234 -1.497 1.00 0.00 C ATOM 569 OE1 GLN A 36 101.364 -7.666 -0.545 1.00 0.00 O ATOM 570 NE2 GLN A 36 99.976 -9.167 -1.309 1.00 0.00 N ATOM 0 H GLN A 36 103.404 -5.712 -3.715 1.00 0.00 H new ATOM 0 HA GLN A 36 101.041 -6.685 -5.306 1.00 0.00 H new ATOM 0 HB2 GLN A 36 101.648 -5.795 -2.431 1.00 0.00 H new ATOM 0 HB3 GLN A 36 100.016 -6.115 -2.983 1.00 0.00 H new ATOM 0 HG2 GLN A 36 100.697 -8.442 -3.642 1.00 0.00 H new ATOM 0 HG3 GLN A 36 102.328 -8.122 -3.088 1.00 0.00 H new ATOM 0 HE21 GLN A 36 99.560 -9.644 -2.109 1.00 0.00 H new ATOM 0 HE22 GLN A 36 99.694 -9.419 -0.362 1.00 0.00 H new ATOM 579 N LEU A 37 100.116 -4.488 -5.901 1.00 0.00 N ATOM 580 CA LEU A 37 99.565 -3.153 -6.280 1.00 0.00 C ATOM 581 C LEU A 37 98.086 -3.071 -5.899 1.00 0.00 C ATOM 582 O LEU A 37 97.273 -3.847 -6.368 1.00 0.00 O ATOM 583 CB LEU A 37 99.728 -3.062 -7.800 1.00 0.00 C ATOM 584 CG LEU A 37 101.215 -3.027 -8.165 1.00 0.00 C ATOM 585 CD1 LEU A 37 101.379 -3.323 -9.658 1.00 0.00 C ATOM 586 CD2 LEU A 37 101.786 -1.639 -7.857 1.00 0.00 C ATOM 0 H LEU A 37 99.762 -5.271 -6.450 1.00 0.00 H new ATOM 0 HA LEU A 37 100.078 -2.338 -5.769 1.00 0.00 H new ATOM 0 HB2 LEU A 37 99.248 -3.916 -8.278 1.00 0.00 H new ATOM 0 HB3 LEU A 37 99.232 -2.167 -8.175 1.00 0.00 H new ATOM 0 HG LEU A 37 101.749 -3.777 -7.582 1.00 0.00 H new ATOM 0 HD11 LEU A 37 102.437 -3.299 -9.920 1.00 0.00 H new ATOM 0 HD12 LEU A 37 100.973 -4.310 -9.880 1.00 0.00 H new ATOM 0 HD13 LEU A 37 100.844 -2.572 -10.239 1.00 0.00 H new ATOM 0 HD21 LEU A 37 102.844 -1.615 -8.117 1.00 0.00 H new ATOM 0 HD22 LEU A 37 101.252 -0.888 -8.440 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.668 -1.425 -6.795 1.00 0.00 H new ATOM 598 N ARG A 38 97.735 -2.136 -5.053 1.00 0.00 N ATOM 599 CA ARG A 38 96.299 -1.951 -4.681 1.00 0.00 C ATOM 600 C ARG A 38 95.688 -0.822 -5.515 1.00 0.00 C ATOM 601 O ARG A 38 96.188 0.287 -5.532 1.00 0.00 O ATOM 602 CB ARG A 38 96.312 -1.587 -3.194 1.00 0.00 C ATOM 603 CG ARG A 38 94.875 -1.527 -2.655 1.00 0.00 C ATOM 604 CD ARG A 38 94.361 -0.081 -2.689 1.00 0.00 C ATOM 605 NE ARG A 38 94.734 0.505 -1.360 1.00 0.00 N ATOM 606 CZ ARG A 38 94.742 1.809 -1.162 1.00 0.00 C ATOM 607 NH1 ARG A 38 94.419 2.654 -2.114 1.00 0.00 N ATOM 608 NH2 ARG A 38 95.075 2.272 0.012 1.00 0.00 N ATOM 0 H ARG A 38 98.383 -1.490 -4.602 1.00 0.00 H new ATOM 0 HA ARG A 38 95.702 -2.843 -4.867 1.00 0.00 H new ATOM 0 HB2 ARG A 38 96.888 -2.325 -2.636 1.00 0.00 H new ATOM 0 HB3 ARG A 38 96.803 -0.625 -3.051 1.00 0.00 H new ATOM 0 HG2 ARG A 38 94.226 -2.166 -3.254 1.00 0.00 H new ATOM 0 HG3 ARG A 38 94.844 -1.909 -1.634 1.00 0.00 H new ATOM 0 HD2 ARG A 38 94.815 0.478 -3.507 1.00 0.00 H new ATOM 0 HD3 ARG A 38 93.282 -0.051 -2.843 1.00 0.00 H new ATOM 0 HE ARG A 38 94.987 -0.118 -0.593 1.00 0.00 H new ATOM 0 HH11 ARG A 38 94.153 2.307 -3.035 1.00 0.00 H new ATOM 0 HH12 ARG A 38 94.434 3.658 -1.932 1.00 0.00 H new ATOM 0 HH21 ARG A 38 95.325 1.628 0.762 1.00 0.00 H new ATOM 0 HH22 ARG A 38 95.086 3.278 0.179 1.00 0.00 H new ATOM 622 N LEU A 39 94.611 -1.102 -6.206 1.00 0.00 N ATOM 623 CA LEU A 39 94.038 -0.102 -7.156 1.00 0.00 C ATOM 624 C LEU A 39 92.814 0.592 -6.545 1.00 0.00 C ATOM 625 O LEU A 39 92.091 0.013 -5.752 1.00 0.00 O ATOM 626 CB LEU A 39 93.651 -0.920 -8.393 1.00 0.00 C ATOM 627 CG LEU A 39 93.312 0.005 -9.573 1.00 0.00 C ATOM 628 CD1 LEU A 39 94.513 0.890 -9.918 1.00 0.00 C ATOM 629 CD2 LEU A 39 92.976 -0.854 -10.790 1.00 0.00 C ATOM 0 H LEU A 39 94.103 -1.985 -6.152 1.00 0.00 H new ATOM 0 HA LEU A 39 94.744 0.693 -7.397 1.00 0.00 H new ATOM 0 HB2 LEU A 39 94.472 -1.582 -8.668 1.00 0.00 H new ATOM 0 HB3 LEU A 39 92.794 -1.553 -8.163 1.00 0.00 H new ATOM 0 HG LEU A 39 92.467 0.636 -9.299 1.00 0.00 H new ATOM 0 HD11 LEU A 39 94.258 1.539 -10.755 1.00 0.00 H new ATOM 0 HD12 LEU A 39 94.776 1.499 -9.053 1.00 0.00 H new ATOM 0 HD13 LEU A 39 95.361 0.262 -10.191 1.00 0.00 H new ATOM 0 HD21 LEU A 39 92.733 -0.209 -11.635 1.00 0.00 H new ATOM 0 HD22 LEU A 39 93.834 -1.477 -11.044 1.00 0.00 H new ATOM 0 HD23 LEU A 39 92.121 -1.490 -10.562 1.00 0.00 H new ATOM 641 N ALA A 40 92.583 1.829 -6.922 1.00 0.00 N ATOM 642 CA ALA A 40 91.490 2.641 -6.286 1.00 0.00 C ATOM 643 C ALA A 40 90.100 2.040 -6.555 1.00 0.00 C ATOM 644 O ALA A 40 89.120 2.475 -5.977 1.00 0.00 O ATOM 645 CB ALA A 40 91.597 4.029 -6.921 1.00 0.00 C ATOM 0 H ALA A 40 93.108 2.316 -7.648 1.00 0.00 H new ATOM 0 HA ALA A 40 91.604 2.667 -5.202 1.00 0.00 H new ATOM 0 HB1 ALA A 40 90.828 4.680 -6.505 1.00 0.00 H new ATOM 0 HB2 ALA A 40 92.581 4.450 -6.712 1.00 0.00 H new ATOM 0 HB3 ALA A 40 91.459 3.948 -7.999 1.00 0.00 H new ATOM 651 N ASN A 41 89.998 1.055 -7.419 1.00 0.00 N ATOM 652 CA ASN A 41 88.684 0.370 -7.640 1.00 0.00 C ATOM 653 C ASN A 41 88.471 -0.760 -6.613 1.00 0.00 C ATOM 654 O ASN A 41 87.831 -1.751 -6.912 1.00 0.00 O ATOM 655 CB ASN A 41 88.772 -0.211 -9.055 1.00 0.00 C ATOM 656 CG ASN A 41 88.837 0.926 -10.077 1.00 0.00 C ATOM 657 OD1 ASN A 41 88.201 1.948 -9.910 1.00 0.00 O ATOM 658 ND2 ASN A 41 89.585 0.791 -11.139 1.00 0.00 N ATOM 0 H ASN A 41 90.770 0.696 -7.981 1.00 0.00 H new ATOM 0 HA ASN A 41 87.847 1.058 -7.524 1.00 0.00 H new ATOM 0 HB2 ASN A 41 89.655 -0.844 -9.144 1.00 0.00 H new ATOM 0 HB3 ASN A 41 87.906 -0.842 -9.254 1.00 0.00 H new ATOM 0 HD21 ASN A 41 89.635 1.543 -11.827 1.00 0.00 H new ATOM 0 HD22 ASN A 41 90.119 -0.066 -11.281 1.00 0.00 H new ATOM 665 N ASP A 42 89.003 -0.628 -5.404 1.00 0.00 N ATOM 666 CA ASP A 42 88.787 -1.664 -4.334 1.00 0.00 C ATOM 667 C ASP A 42 89.281 -3.037 -4.813 1.00 0.00 C ATOM 668 O ASP A 42 88.765 -4.061 -4.403 1.00 0.00 O ATOM 669 CB ASP A 42 87.274 -1.697 -4.066 1.00 0.00 C ATOM 670 CG ASP A 42 86.815 -0.341 -3.522 1.00 0.00 C ATOM 671 OD1 ASP A 42 87.526 0.220 -2.704 1.00 0.00 O ATOM 672 OD2 ASP A 42 85.760 0.114 -3.934 1.00 0.00 O ATOM 0 H ASP A 42 89.581 0.162 -5.118 1.00 0.00 H new ATOM 0 HA ASP A 42 89.342 -1.421 -3.428 1.00 0.00 H new ATOM 0 HB2 ASP A 42 86.737 -1.931 -4.985 1.00 0.00 H new ATOM 0 HB3 ASP A 42 87.039 -2.485 -3.350 1.00 0.00 H new ATOM 677 N SER A 43 90.275 -3.064 -5.678 1.00 0.00 N ATOM 678 CA SER A 43 90.833 -4.371 -6.142 1.00 0.00 C ATOM 679 C SER A 43 92.327 -4.449 -5.818 1.00 0.00 C ATOM 680 O SER A 43 93.045 -3.473 -5.935 1.00 0.00 O ATOM 681 CB SER A 43 90.610 -4.383 -7.654 1.00 0.00 C ATOM 682 OG SER A 43 89.215 -4.316 -7.923 1.00 0.00 O ATOM 0 H SER A 43 90.719 -2.237 -6.078 1.00 0.00 H new ATOM 0 HA SER A 43 90.356 -5.222 -5.655 1.00 0.00 H new ATOM 0 HB2 SER A 43 91.122 -3.539 -8.116 1.00 0.00 H new ATOM 0 HB3 SER A 43 91.033 -5.289 -8.089 1.00 0.00 H new ATOM 0 HG SER A 43 88.885 -3.417 -7.716 1.00 0.00 H new ATOM 688 N THR A 44 92.797 -5.603 -5.412 1.00 0.00 N ATOM 689 CA THR A 44 94.248 -5.761 -5.080 1.00 0.00 C ATOM 690 C THR A 44 94.831 -6.970 -5.820 1.00 0.00 C ATOM 691 O THR A 44 94.174 -7.984 -5.979 1.00 0.00 O ATOM 692 CB THR A 44 94.299 -5.965 -3.557 1.00 0.00 C ATOM 693 OG1 THR A 44 95.651 -6.128 -3.152 1.00 0.00 O ATOM 694 CG2 THR A 44 93.493 -7.207 -3.150 1.00 0.00 C ATOM 0 H THR A 44 92.235 -6.447 -5.296 1.00 0.00 H new ATOM 0 HA THR A 44 94.837 -4.896 -5.383 1.00 0.00 H new ATOM 0 HB THR A 44 93.864 -5.092 -3.071 1.00 0.00 H new ATOM 0 HG1 THR A 44 95.688 -6.257 -2.181 1.00 0.00 H new ATOM 0 HG21 THR A 44 93.542 -7.334 -2.069 1.00 0.00 H new ATOM 0 HG22 THR A 44 92.454 -7.082 -3.454 1.00 0.00 H new ATOM 0 HG23 THR A 44 93.911 -8.088 -3.638 1.00 0.00 H new ATOM 702 N LYS A 45 96.057 -6.868 -6.270 1.00 0.00 N ATOM 703 CA LYS A 45 96.681 -7.993 -7.030 1.00 0.00 C ATOM 704 C LYS A 45 98.171 -8.099 -6.695 1.00 0.00 C ATOM 705 O LYS A 45 98.867 -7.104 -6.607 1.00 0.00 O ATOM 706 CB LYS A 45 96.486 -7.630 -8.504 1.00 0.00 C ATOM 707 CG LYS A 45 96.889 -8.816 -9.382 1.00 0.00 C ATOM 708 CD LYS A 45 96.755 -8.428 -10.856 1.00 0.00 C ATOM 709 CE LYS A 45 97.009 -9.657 -11.732 1.00 0.00 C ATOM 710 NZ LYS A 45 96.247 -9.399 -12.986 1.00 0.00 N ATOM 0 H LYS A 45 96.654 -6.051 -6.143 1.00 0.00 H new ATOM 0 HA LYS A 45 96.233 -8.956 -6.784 1.00 0.00 H new ATOM 0 HB2 LYS A 45 95.445 -7.365 -8.689 1.00 0.00 H new ATOM 0 HB3 LYS A 45 97.087 -6.757 -8.757 1.00 0.00 H new ATOM 0 HG2 LYS A 45 97.916 -9.111 -9.164 1.00 0.00 H new ATOM 0 HG3 LYS A 45 96.257 -9.676 -9.162 1.00 0.00 H new ATOM 0 HD2 LYS A 45 95.759 -8.030 -11.049 1.00 0.00 H new ATOM 0 HD3 LYS A 45 97.466 -7.640 -11.102 1.00 0.00 H new ATOM 0 HE2 LYS A 45 98.072 -9.784 -11.935 1.00 0.00 H new ATOM 0 HE3 LYS A 45 96.667 -10.569 -11.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 96.372 -10.199 -13.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 95.237 -9.289 -12.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 96.599 -8.529 -13.434 1.00 0.00 H new ATOM 724 N SER A 46 98.661 -9.302 -6.508 1.00 0.00 N ATOM 725 CA SER A 46 100.117 -9.493 -6.235 1.00 0.00 C ATOM 726 C SER A 46 100.840 -9.903 -7.519 1.00 0.00 C ATOM 727 O SER A 46 100.501 -10.894 -8.139 1.00 0.00 O ATOM 728 CB SER A 46 100.183 -10.614 -5.199 1.00 0.00 C ATOM 729 OG SER A 46 99.740 -11.827 -5.792 1.00 0.00 O ATOM 0 H SER A 46 98.111 -10.161 -6.533 1.00 0.00 H new ATOM 0 HA SER A 46 100.596 -8.582 -5.876 1.00 0.00 H new ATOM 0 HB2 SER A 46 101.203 -10.726 -4.832 1.00 0.00 H new ATOM 0 HB3 SER A 46 99.560 -10.367 -4.339 1.00 0.00 H new ATOM 0 HG SER A 46 99.983 -11.835 -6.741 1.00 0.00 H new ATOM 735 N ILE A 47 101.833 -9.146 -7.921 1.00 0.00 N ATOM 736 CA ILE A 47 102.568 -9.466 -9.184 1.00 0.00 C ATOM 737 C ILE A 47 104.073 -9.506 -8.903 1.00 0.00 C ATOM 738 O ILE A 47 104.608 -8.638 -8.235 1.00 0.00 O ATOM 739 CB ILE A 47 102.220 -8.328 -10.159 1.00 0.00 C ATOM 740 CG1 ILE A 47 100.703 -8.279 -10.384 1.00 0.00 C ATOM 741 CG2 ILE A 47 102.915 -8.568 -11.505 1.00 0.00 C ATOM 742 CD1 ILE A 47 100.333 -6.981 -11.108 1.00 0.00 C ATOM 0 H ILE A 47 102.166 -8.318 -7.427 1.00 0.00 H new ATOM 0 HA ILE A 47 102.291 -10.436 -9.596 1.00 0.00 H new ATOM 0 HB ILE A 47 102.558 -7.384 -9.732 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.384 -9.139 -10.973 1.00 0.00 H new ATOM 0 HG13 ILE A 47 100.181 -8.336 -9.429 1.00 0.00 H new ATOM 0 HG21 ILE A 47 102.666 -7.760 -12.192 1.00 0.00 H new ATOM 0 HG22 ILE A 47 103.994 -8.598 -11.357 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.579 -9.517 -11.924 1.00 0.00 H new ATOM 0 HD11 ILE A 47 99.255 -6.948 -11.267 1.00 0.00 H new ATOM 0 HD12 ILE A 47 100.637 -6.127 -10.502 1.00 0.00 H new ATOM 0 HD13 ILE A 47 100.843 -6.943 -12.070 1.00 0.00 H new ATOM 754 N VAL A 48 104.756 -10.503 -9.407 1.00 0.00 N ATOM 755 CA VAL A 48 106.235 -10.586 -9.192 1.00 0.00 C ATOM 756 C VAL A 48 106.942 -9.629 -10.157 1.00 0.00 C ATOM 757 O VAL A 48 106.611 -9.557 -11.323 1.00 0.00 O ATOM 758 CB VAL A 48 106.629 -12.046 -9.480 1.00 0.00 C ATOM 759 CG1 VAL A 48 108.118 -12.252 -9.167 1.00 0.00 C ATOM 760 CG2 VAL A 48 105.780 -13.008 -8.625 1.00 0.00 C ATOM 0 H VAL A 48 104.355 -11.262 -9.957 1.00 0.00 H new ATOM 0 HA VAL A 48 106.520 -10.303 -8.179 1.00 0.00 H new ATOM 0 HB VAL A 48 106.447 -12.258 -10.534 1.00 0.00 H new ATOM 0 HG11 VAL A 48 108.393 -13.287 -9.372 1.00 0.00 H new ATOM 0 HG12 VAL A 48 108.716 -11.587 -9.790 1.00 0.00 H new ATOM 0 HG13 VAL A 48 108.303 -12.029 -8.116 1.00 0.00 H new ATOM 0 HG21 VAL A 48 106.069 -14.037 -8.839 1.00 0.00 H new ATOM 0 HG22 VAL A 48 105.944 -12.797 -7.568 1.00 0.00 H new ATOM 0 HG23 VAL A 48 104.725 -12.871 -8.862 1.00 0.00 H new ATOM 770 N THR A 49 107.912 -8.895 -9.673 1.00 0.00 N ATOM 771 CA THR A 49 108.545 -7.818 -10.507 1.00 0.00 C ATOM 772 C THR A 49 109.248 -8.405 -11.737 1.00 0.00 C ATOM 773 O THR A 49 109.426 -7.728 -12.732 1.00 0.00 O ATOM 774 CB THR A 49 109.562 -7.111 -9.599 1.00 0.00 C ATOM 775 OG1 THR A 49 110.586 -8.026 -9.229 1.00 0.00 O ATOM 776 CG2 THR A 49 108.867 -6.575 -8.342 1.00 0.00 C ATOM 0 H THR A 49 108.297 -8.993 -8.733 1.00 0.00 H new ATOM 0 HA THR A 49 107.789 -7.127 -10.879 1.00 0.00 H new ATOM 0 HB THR A 49 110.001 -6.274 -10.142 1.00 0.00 H new ATOM 0 HG1 THR A 49 110.210 -8.721 -8.650 1.00 0.00 H new ATOM 0 HG21 THR A 49 109.599 -6.076 -7.706 1.00 0.00 H new ATOM 0 HG22 THR A 49 108.092 -5.865 -8.630 1.00 0.00 H new ATOM 0 HG23 THR A 49 108.416 -7.403 -7.795 1.00 0.00 H new ATOM 784 N LYS A 50 109.650 -9.652 -11.679 1.00 0.00 N ATOM 785 CA LYS A 50 110.438 -10.247 -12.813 1.00 0.00 C ATOM 786 C LYS A 50 109.649 -10.166 -14.126 1.00 0.00 C ATOM 787 O LYS A 50 110.227 -10.156 -15.198 1.00 0.00 O ATOM 788 CB LYS A 50 110.685 -11.715 -12.429 1.00 0.00 C ATOM 789 CG LYS A 50 111.547 -11.804 -11.161 1.00 0.00 C ATOM 790 CD LYS A 50 111.642 -13.263 -10.712 1.00 0.00 C ATOM 791 CE LYS A 50 112.394 -13.340 -9.381 1.00 0.00 C ATOM 792 NZ LYS A 50 113.836 -13.270 -9.750 1.00 0.00 N ATOM 0 H LYS A 50 109.469 -10.284 -10.900 1.00 0.00 H new ATOM 0 HA LYS A 50 111.372 -9.708 -12.971 1.00 0.00 H new ATOM 0 HB2 LYS A 50 109.733 -12.219 -12.264 1.00 0.00 H new ATOM 0 HB3 LYS A 50 111.181 -12.233 -13.250 1.00 0.00 H new ATOM 0 HG2 LYS A 50 112.543 -11.407 -11.357 1.00 0.00 H new ATOM 0 HG3 LYS A 50 111.111 -11.196 -10.368 1.00 0.00 H new ATOM 0 HD2 LYS A 50 110.644 -13.687 -10.603 1.00 0.00 H new ATOM 0 HD3 LYS A 50 112.158 -13.854 -11.468 1.00 0.00 H new ATOM 0 HE2 LYS A 50 112.115 -12.518 -8.721 1.00 0.00 H new ATOM 0 HE3 LYS A 50 112.166 -14.265 -8.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 114.291 -14.183 -9.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 113.925 -13.055 -10.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 114.300 -12.523 -9.195 1.00 0.00 H new ATOM 806 N ASP A 51 108.341 -10.108 -14.053 1.00 0.00 N ATOM 807 CA ASP A 51 107.531 -9.934 -15.302 1.00 0.00 C ATOM 808 C ASP A 51 107.344 -8.445 -15.648 1.00 0.00 C ATOM 809 O ASP A 51 106.564 -8.109 -16.520 1.00 0.00 O ATOM 810 CB ASP A 51 106.178 -10.618 -15.030 1.00 0.00 C ATOM 811 CG ASP A 51 105.466 -9.985 -13.825 1.00 0.00 C ATOM 812 OD1 ASP A 51 105.336 -8.773 -13.800 1.00 0.00 O ATOM 813 OD2 ASP A 51 105.060 -10.731 -12.949 1.00 0.00 O ATOM 0 H ASP A 51 107.802 -10.173 -13.190 1.00 0.00 H new ATOM 0 HA ASP A 51 108.033 -10.379 -16.161 1.00 0.00 H new ATOM 0 HB2 ASP A 51 105.544 -10.539 -15.913 1.00 0.00 H new ATOM 0 HB3 ASP A 51 106.336 -11.681 -14.845 1.00 0.00 H new ATOM 818 N ILE A 52 108.048 -7.551 -14.978 1.00 0.00 N ATOM 819 CA ILE A 52 107.989 -6.104 -15.373 1.00 0.00 C ATOM 820 C ILE A 52 108.873 -5.864 -16.602 1.00 0.00 C ATOM 821 O ILE A 52 110.083 -5.975 -16.537 1.00 0.00 O ATOM 822 CB ILE A 52 108.521 -5.317 -14.159 1.00 0.00 C ATOM 823 CG1 ILE A 52 107.571 -5.515 -12.966 1.00 0.00 C ATOM 824 CG2 ILE A 52 108.624 -3.816 -14.505 1.00 0.00 C ATOM 825 CD1 ILE A 52 108.139 -4.818 -11.722 1.00 0.00 C ATOM 0 H ILE A 52 108.653 -7.761 -14.184 1.00 0.00 H new ATOM 0 HA ILE A 52 106.978 -5.792 -15.635 1.00 0.00 H new ATOM 0 HB ILE A 52 109.513 -5.686 -13.898 1.00 0.00 H new ATOM 0 HG12 ILE A 52 106.587 -5.110 -13.203 1.00 0.00 H new ATOM 0 HG13 ILE A 52 107.439 -6.579 -12.768 1.00 0.00 H new ATOM 0 HG21 ILE A 52 109.001 -3.268 -13.641 1.00 0.00 H new ATOM 0 HG22 ILE A 52 109.306 -3.682 -15.345 1.00 0.00 H new ATOM 0 HG23 ILE A 52 107.638 -3.436 -14.774 1.00 0.00 H new ATOM 0 HD11 ILE A 52 107.460 -4.963 -10.882 1.00 0.00 H new ATOM 0 HD12 ILE A 52 109.113 -5.243 -11.479 1.00 0.00 H new ATOM 0 HD13 ILE A 52 108.248 -3.752 -11.920 1.00 0.00 H new ATOM 837 N LYS A 53 108.269 -5.539 -17.718 1.00 0.00 N ATOM 838 CA LYS A 53 109.069 -5.108 -18.907 1.00 0.00 C ATOM 839 C LYS A 53 109.439 -3.629 -18.785 1.00 0.00 C ATOM 840 O LYS A 53 110.539 -3.230 -19.119 1.00 0.00 O ATOM 841 CB LYS A 53 108.161 -5.330 -20.116 1.00 0.00 C ATOM 842 CG LYS A 53 108.953 -5.101 -21.406 1.00 0.00 C ATOM 843 CD LYS A 53 108.025 -5.265 -22.612 1.00 0.00 C ATOM 844 CE LYS A 53 108.846 -5.207 -23.901 1.00 0.00 C ATOM 845 NZ LYS A 53 109.371 -6.588 -24.084 1.00 0.00 N ATOM 0 H LYS A 53 107.259 -5.553 -17.858 1.00 0.00 H new ATOM 0 HA LYS A 53 110.000 -5.668 -18.994 1.00 0.00 H new ATOM 0 HB2 LYS A 53 107.759 -6.343 -20.100 1.00 0.00 H new ATOM 0 HB3 LYS A 53 107.311 -4.649 -20.074 1.00 0.00 H new ATOM 0 HG2 LYS A 53 109.391 -4.103 -21.404 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.778 -5.811 -21.469 1.00 0.00 H new ATOM 0 HD2 LYS A 53 107.494 -6.215 -22.549 1.00 0.00 H new ATOM 0 HD3 LYS A 53 107.271 -4.478 -22.613 1.00 0.00 H new ATOM 0 HE2 LYS A 53 108.231 -4.903 -24.748 1.00 0.00 H new ATOM 0 HE3 LYS A 53 109.657 -4.483 -23.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 110.335 -6.544 -24.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 109.389 -7.077 -23.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 108.757 -7.109 -24.742 1.00 0.00 H new ATOM 859 N ASP A 54 108.528 -2.816 -18.305 1.00 0.00 N ATOM 860 CA ASP A 54 108.777 -1.335 -18.286 1.00 0.00 C ATOM 861 C ASP A 54 107.999 -0.665 -17.150 1.00 0.00 C ATOM 862 O ASP A 54 106.900 -1.067 -16.824 1.00 0.00 O ATOM 863 CB ASP A 54 108.281 -0.821 -19.639 1.00 0.00 C ATOM 864 CG ASP A 54 109.221 -1.296 -20.749 1.00 0.00 C ATOM 865 OD1 ASP A 54 110.421 -1.151 -20.584 1.00 0.00 O ATOM 866 OD2 ASP A 54 108.725 -1.794 -21.746 1.00 0.00 O ATOM 0 H ASP A 54 107.627 -3.109 -17.927 1.00 0.00 H new ATOM 0 HA ASP A 54 109.831 -1.111 -18.122 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.270 -1.182 -19.827 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.235 0.268 -19.630 1.00 0.00 H new ATOM 871 N LEU A 55 108.566 0.358 -16.553 1.00 0.00 N ATOM 872 CA LEU A 55 107.904 1.021 -15.387 1.00 0.00 C ATOM 873 C LEU A 55 107.749 2.527 -15.633 1.00 0.00 C ATOM 874 O LEU A 55 108.599 3.157 -16.235 1.00 0.00 O ATOM 875 CB LEU A 55 108.847 0.785 -14.206 1.00 0.00 C ATOM 876 CG LEU A 55 108.740 -0.666 -13.736 1.00 0.00 C ATOM 877 CD1 LEU A 55 110.047 -1.083 -13.059 1.00 0.00 C ATOM 878 CD2 LEU A 55 107.589 -0.795 -12.734 1.00 0.00 C ATOM 0 H LEU A 55 109.462 0.762 -16.826 1.00 0.00 H new ATOM 0 HA LEU A 55 106.905 0.620 -15.212 1.00 0.00 H new ATOM 0 HB2 LEU A 55 109.873 1.007 -14.499 1.00 0.00 H new ATOM 0 HB3 LEU A 55 108.596 1.461 -13.388 1.00 0.00 H new ATOM 0 HG LEU A 55 108.552 -1.310 -14.595 1.00 0.00 H new ATOM 0 HD11 LEU A 55 109.970 -2.117 -12.724 1.00 0.00 H new ATOM 0 HD12 LEU A 55 110.869 -0.992 -13.768 1.00 0.00 H new ATOM 0 HD13 LEU A 55 110.235 -0.437 -12.201 1.00 0.00 H new ATOM 0 HD21 LEU A 55 107.513 -1.829 -12.399 1.00 0.00 H new ATOM 0 HD22 LEU A 55 107.779 -0.149 -11.877 1.00 0.00 H new ATOM 0 HD23 LEU A 55 106.655 -0.499 -13.212 1.00 0.00 H new ATOM 890 N ARG A 56 106.667 3.104 -15.167 1.00 0.00 N ATOM 891 CA ARG A 56 106.523 4.592 -15.193 1.00 0.00 C ATOM 892 C ARG A 56 105.697 5.057 -13.983 1.00 0.00 C ATOM 893 O ARG A 56 104.960 4.286 -13.398 1.00 0.00 O ATOM 894 CB ARG A 56 105.811 4.910 -16.522 1.00 0.00 C ATOM 895 CG ARG A 56 104.339 4.462 -16.473 1.00 0.00 C ATOM 896 CD ARG A 56 103.877 4.022 -17.867 1.00 0.00 C ATOM 897 NE ARG A 56 103.968 5.247 -18.728 1.00 0.00 N ATOM 898 CZ ARG A 56 103.964 5.164 -20.045 1.00 0.00 C ATOM 899 NH1 ARG A 56 103.874 4.008 -20.663 1.00 0.00 N ATOM 900 NH2 ARG A 56 104.048 6.257 -20.751 1.00 0.00 N ATOM 0 H ARG A 56 105.873 2.603 -14.767 1.00 0.00 H new ATOM 0 HA ARG A 56 107.481 5.108 -15.132 1.00 0.00 H new ATOM 0 HB2 ARG A 56 105.864 5.980 -16.721 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.322 4.407 -17.343 1.00 0.00 H new ATOM 0 HG2 ARG A 56 104.224 3.640 -15.767 1.00 0.00 H new ATOM 0 HG3 ARG A 56 103.713 5.280 -16.115 1.00 0.00 H new ATOM 0 HD2 ARG A 56 104.508 3.223 -18.255 1.00 0.00 H new ATOM 0 HD3 ARG A 56 102.857 3.638 -17.839 1.00 0.00 H new ATOM 0 HE ARG A 56 104.034 6.164 -18.286 1.00 0.00 H new ATOM 0 HH11 ARG A 56 103.805 3.145 -20.123 1.00 0.00 H new ATOM 0 HH12 ARG A 56 103.873 3.973 -21.682 1.00 0.00 H new ATOM 0 HH21 ARG A 56 104.116 7.162 -20.284 1.00 0.00 H new ATOM 0 HH22 ARG A 56 104.046 6.207 -21.770 1.00 0.00 H new ATOM 914 N ILE A 57 105.819 6.307 -13.610 1.00 0.00 N ATOM 915 CA ILE A 57 104.993 6.843 -12.482 1.00 0.00 C ATOM 916 C ILE A 57 104.002 7.880 -13.024 1.00 0.00 C ATOM 917 O ILE A 57 104.375 8.786 -13.745 1.00 0.00 O ATOM 918 CB ILE A 57 105.993 7.490 -11.507 1.00 0.00 C ATOM 919 CG1 ILE A 57 106.999 6.436 -11.022 1.00 0.00 C ATOM 920 CG2 ILE A 57 105.238 8.058 -10.299 1.00 0.00 C ATOM 921 CD1 ILE A 57 108.138 7.118 -10.260 1.00 0.00 C ATOM 0 H ILE A 57 106.455 6.980 -14.038 1.00 0.00 H new ATOM 0 HA ILE A 57 104.410 6.067 -11.985 1.00 0.00 H new ATOM 0 HB ILE A 57 106.524 8.293 -12.019 1.00 0.00 H new ATOM 0 HG12 ILE A 57 106.500 5.713 -10.377 1.00 0.00 H new ATOM 0 HG13 ILE A 57 107.398 5.883 -11.872 1.00 0.00 H new ATOM 0 HG21 ILE A 57 105.947 8.516 -9.609 1.00 0.00 H new ATOM 0 HG22 ILE A 57 104.524 8.809 -10.637 1.00 0.00 H new ATOM 0 HG23 ILE A 57 104.706 7.253 -9.791 1.00 0.00 H new ATOM 0 HD11 ILE A 57 108.849 6.366 -9.918 1.00 0.00 H new ATOM 0 HD12 ILE A 57 108.645 7.824 -10.918 1.00 0.00 H new ATOM 0 HD13 ILE A 57 107.732 7.651 -9.400 1.00 0.00 H new ATOM 933 N LEU A 58 102.743 7.748 -12.678 1.00 0.00 N ATOM 934 CA LEU A 58 101.705 8.669 -13.240 1.00 0.00 C ATOM 935 C LEU A 58 101.457 9.839 -12.274 1.00 0.00 C ATOM 936 O LEU A 58 101.663 9.697 -11.083 1.00 0.00 O ATOM 937 CB LEU A 58 100.437 7.817 -13.386 1.00 0.00 C ATOM 938 CG LEU A 58 100.696 6.629 -14.321 1.00 0.00 C ATOM 939 CD1 LEU A 58 99.502 5.674 -14.275 1.00 0.00 C ATOM 940 CD2 LEU A 58 100.891 7.127 -15.754 1.00 0.00 C ATOM 0 H LEU A 58 102.390 7.043 -12.031 1.00 0.00 H new ATOM 0 HA LEU A 58 102.014 9.098 -14.193 1.00 0.00 H new ATOM 0 HB2 LEU A 58 100.119 7.456 -12.408 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.624 8.427 -13.780 1.00 0.00 H new ATOM 0 HG LEU A 58 101.596 6.108 -13.995 1.00 0.00 H new ATOM 0 HD11 LEU A 58 99.686 4.830 -14.939 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.365 5.311 -13.256 1.00 0.00 H new ATOM 0 HD13 LEU A 58 98.603 6.200 -14.597 1.00 0.00 H new ATOM 0 HD21 LEU A 58 101.075 6.278 -16.412 1.00 0.00 H new ATOM 0 HD22 LEU A 58 99.994 7.653 -16.082 1.00 0.00 H new ATOM 0 HD23 LEU A 58 101.743 7.805 -15.791 1.00 0.00 H new