USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=12 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 16 ASN : amide:sc= -1.3 K(o=-0.98,f=-4.7!) USER MOD Set 1.2: A 17 ASN : amide:sc= -0.627 K(o=-0.98,f=-4.3!) USER MOD Set 1.3: A 19 SER OG : rot -132:sc= 0.955 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.499 K(o=-0.5,f=-4.1!) USER MOD Single : A 20 LYS NZ :NH3+ -109:sc= 0 (180deg=-0.102) USER MOD Single : A 26 THR OG1 : rot -62:sc= 0.738 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.018) 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= 0 K(o=0,f=-0.72) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.997 K(o=-1,f=-6.6!) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 43 SER OG : rot 71:sc= 0.121 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 17:sc= 0.866 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.725 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 161:sc= 1.25 (180deg=1.18) USER MOD ----------------------------------------------------------------- ATOM 151 N GLY A 8 103.517 3.050 -1.597 1.00 0.00 N ATOM 152 CA GLY A 8 102.122 3.591 -1.588 1.00 0.00 C ATOM 153 C GLY A 8 101.903 4.526 -2.788 1.00 0.00 C ATOM 154 O GLY A 8 100.870 5.161 -2.895 1.00 0.00 O ATOM 0 HA2 GLY A 8 101.406 2.770 -1.623 1.00 0.00 H new ATOM 0 HA3 GLY A 8 101.941 4.132 -0.659 1.00 0.00 H new ATOM 158 N SER A 9 102.860 4.622 -3.690 1.00 0.00 N ATOM 159 CA SER A 9 102.707 5.550 -4.852 1.00 0.00 C ATOM 160 C SER A 9 101.976 4.844 -5.999 1.00 0.00 C ATOM 161 O SER A 9 101.984 3.630 -6.093 1.00 0.00 O ATOM 162 CB SER A 9 104.133 5.914 -5.268 1.00 0.00 C ATOM 163 OG SER A 9 104.775 4.764 -5.804 1.00 0.00 O ATOM 0 H SER A 9 103.735 4.098 -3.667 1.00 0.00 H new ATOM 0 HA SER A 9 102.122 6.434 -4.597 1.00 0.00 H new ATOM 0 HB2 SER A 9 104.115 6.713 -6.009 1.00 0.00 H new ATOM 0 HB3 SER A 9 104.690 6.288 -4.409 1.00 0.00 H new ATOM 0 HG SER A 9 105.689 4.995 -6.073 1.00 0.00 H new ATOM 169 N ASN A 10 101.345 5.598 -6.866 1.00 0.00 N ATOM 170 CA ASN A 10 100.627 4.982 -8.023 1.00 0.00 C ATOM 171 C ASN A 10 101.513 5.014 -9.270 1.00 0.00 C ATOM 172 O ASN A 10 101.842 6.068 -9.785 1.00 0.00 O ATOM 173 CB ASN A 10 99.383 5.848 -8.228 1.00 0.00 C ATOM 174 CG ASN A 10 98.371 5.100 -9.098 1.00 0.00 C ATOM 175 OD1 ASN A 10 98.743 4.366 -9.993 1.00 0.00 O ATOM 176 ND2 ASN A 10 97.095 5.255 -8.871 1.00 0.00 N ATOM 0 H ASN A 10 101.297 6.616 -6.821 1.00 0.00 H new ATOM 0 HA ASN A 10 100.370 3.939 -7.840 1.00 0.00 H new ATOM 0 HB2 ASN A 10 98.937 6.094 -7.264 1.00 0.00 H new ATOM 0 HB3 ASN A 10 99.658 6.790 -8.702 1.00 0.00 H new ATOM 0 HD21 ASN A 10 96.411 4.761 -9.444 1.00 0.00 H new ATOM 0 HD22 ASN A 10 96.782 5.870 -8.120 1.00 0.00 H new ATOM 183 N VAL A 11 101.898 3.860 -9.752 1.00 0.00 N ATOM 184 CA VAL A 11 102.733 3.791 -10.989 1.00 0.00 C ATOM 185 C VAL A 11 102.089 2.826 -11.987 1.00 0.00 C ATOM 186 O VAL A 11 101.242 2.031 -11.622 1.00 0.00 O ATOM 187 CB VAL A 11 104.112 3.274 -10.537 1.00 0.00 C ATOM 188 CG1 VAL A 11 104.753 4.289 -9.587 1.00 0.00 C ATOM 189 CG2 VAL A 11 103.970 1.927 -9.812 1.00 0.00 C ATOM 0 H VAL A 11 101.668 2.956 -9.339 1.00 0.00 H new ATOM 0 HA VAL A 11 102.822 4.759 -11.483 1.00 0.00 H new ATOM 0 HB VAL A 11 104.739 3.140 -11.418 1.00 0.00 H new ATOM 0 HG11 VAL A 11 105.729 3.923 -9.268 1.00 0.00 H new ATOM 0 HG12 VAL A 11 104.874 5.243 -10.101 1.00 0.00 H new ATOM 0 HG13 VAL A 11 104.113 4.426 -8.715 1.00 0.00 H new ATOM 0 HG21 VAL A 11 104.954 1.576 -9.500 1.00 0.00 H new ATOM 0 HG22 VAL A 11 103.334 2.051 -8.936 1.00 0.00 H new ATOM 0 HG23 VAL A 11 103.522 1.197 -10.486 1.00 0.00 H new ATOM 199 N GLU A 12 102.480 2.886 -13.237 1.00 0.00 N ATOM 200 CA GLU A 12 102.003 1.868 -14.217 1.00 0.00 C ATOM 201 C GLU A 12 103.204 1.101 -14.772 1.00 0.00 C ATOM 202 O GLU A 12 104.276 1.647 -14.931 1.00 0.00 O ATOM 203 CB GLU A 12 101.304 2.674 -15.320 1.00 0.00 C ATOM 204 CG GLU A 12 100.733 1.724 -16.381 1.00 0.00 C ATOM 205 CD GLU A 12 99.870 2.513 -17.370 1.00 0.00 C ATOM 206 OE1 GLU A 12 100.276 3.601 -17.746 1.00 0.00 O ATOM 207 OE2 GLU A 12 98.818 2.017 -17.733 1.00 0.00 O ATOM 0 H GLU A 12 103.107 3.595 -13.618 1.00 0.00 H new ATOM 0 HA GLU A 12 101.328 1.134 -13.776 1.00 0.00 H new ATOM 0 HB2 GLU A 12 100.503 3.276 -14.890 1.00 0.00 H new ATOM 0 HB3 GLU A 12 102.010 3.365 -15.781 1.00 0.00 H new ATOM 0 HG2 GLU A 12 101.545 1.224 -16.910 1.00 0.00 H new ATOM 0 HG3 GLU A 12 100.137 0.946 -15.904 1.00 0.00 H new ATOM 214 N VAL A 13 103.029 -0.163 -15.060 1.00 0.00 N ATOM 215 CA VAL A 13 104.148 -0.966 -15.636 1.00 0.00 C ATOM 216 C VAL A 13 103.638 -1.779 -16.825 1.00 0.00 C ATOM 217 O VAL A 13 102.523 -2.269 -16.808 1.00 0.00 O ATOM 218 CB VAL A 13 104.618 -1.886 -14.494 1.00 0.00 C ATOM 219 CG1 VAL A 13 103.527 -2.901 -14.125 1.00 0.00 C ATOM 220 CG2 VAL A 13 105.869 -2.645 -14.936 1.00 0.00 C ATOM 0 H VAL A 13 102.157 -0.674 -14.921 1.00 0.00 H new ATOM 0 HA VAL A 13 104.965 -0.345 -16.003 1.00 0.00 H new ATOM 0 HB VAL A 13 104.836 -1.268 -13.623 1.00 0.00 H new ATOM 0 HG11 VAL A 13 103.883 -3.539 -13.316 1.00 0.00 H new ATOM 0 HG12 VAL A 13 102.631 -2.371 -13.802 1.00 0.00 H new ATOM 0 HG13 VAL A 13 103.292 -3.514 -14.995 1.00 0.00 H new ATOM 0 HG21 VAL A 13 106.203 -3.297 -14.129 1.00 0.00 H new ATOM 0 HG22 VAL A 13 105.638 -3.246 -15.816 1.00 0.00 H new ATOM 0 HG23 VAL A 13 106.659 -1.934 -15.179 1.00 0.00 H new ATOM 230 N LEU A 14 104.435 -1.925 -17.852 1.00 0.00 N ATOM 231 CA LEU A 14 104.063 -2.898 -18.924 1.00 0.00 C ATOM 232 C LEU A 14 104.777 -4.218 -18.679 1.00 0.00 C ATOM 233 O LEU A 14 105.953 -4.246 -18.362 1.00 0.00 O ATOM 234 CB LEU A 14 104.512 -2.320 -20.275 1.00 0.00 C ATOM 235 CG LEU A 14 104.071 -0.853 -20.493 1.00 0.00 C ATOM 236 CD1 LEU A 14 103.860 -0.633 -21.994 1.00 0.00 C ATOM 237 CD2 LEU A 14 102.767 -0.525 -19.749 1.00 0.00 C ATOM 0 H LEU A 14 105.312 -1.423 -17.995 1.00 0.00 H new ATOM 0 HA LEU A 14 102.986 -3.067 -18.923 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.598 -2.379 -20.344 1.00 0.00 H new ATOM 0 HB3 LEU A 14 104.108 -2.936 -21.078 1.00 0.00 H new ATOM 0 HG LEU A 14 104.848 -0.198 -20.100 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.548 0.396 -22.171 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.792 -0.826 -22.525 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.089 -1.313 -22.357 1.00 0.00 H new ATOM 0 HD21 LEU A 14 102.496 0.515 -19.931 1.00 0.00 H new ATOM 0 HD22 LEU A 14 101.970 -1.176 -20.108 1.00 0.00 H new ATOM 0 HD23 LEU A 14 102.909 -0.681 -18.680 1.00 0.00 H new ATOM 249 N LEU A 15 104.077 -5.308 -18.820 1.00 0.00 N ATOM 250 CA LEU A 15 104.728 -6.639 -18.643 1.00 0.00 C ATOM 251 C LEU A 15 105.435 -7.052 -19.937 1.00 0.00 C ATOM 252 O LEU A 15 105.371 -6.363 -20.937 1.00 0.00 O ATOM 253 CB LEU A 15 103.596 -7.615 -18.309 1.00 0.00 C ATOM 254 CG LEU A 15 102.945 -7.222 -16.979 1.00 0.00 C ATOM 255 CD1 LEU A 15 101.655 -8.022 -16.786 1.00 0.00 C ATOM 256 CD2 LEU A 15 103.909 -7.528 -15.831 1.00 0.00 C ATOM 0 H LEU A 15 103.084 -5.337 -19.050 1.00 0.00 H new ATOM 0 HA LEU A 15 105.482 -6.623 -17.856 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.851 -7.608 -19.105 1.00 0.00 H new ATOM 0 HB3 LEU A 15 103.986 -8.631 -18.247 1.00 0.00 H new ATOM 0 HG LEU A 15 102.714 -6.157 -16.988 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.192 -7.743 -15.840 1.00 0.00 H new ATOM 0 HD12 LEU A 15 100.968 -7.807 -17.604 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.886 -9.087 -16.776 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.447 -7.249 -14.884 1.00 0.00 H new ATOM 0 HD22 LEU A 15 104.138 -8.594 -15.823 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.829 -6.960 -15.967 1.00 0.00 H new ATOM 268 N ASN A 16 106.108 -8.178 -19.917 1.00 0.00 N ATOM 269 CA ASN A 16 106.889 -8.637 -21.120 1.00 0.00 C ATOM 270 C ASN A 16 105.989 -8.769 -22.360 1.00 0.00 C ATOM 271 O ASN A 16 106.463 -8.737 -23.481 1.00 0.00 O ATOM 272 CB ASN A 16 107.480 -10.004 -20.732 1.00 0.00 C ATOM 273 CG ASN A 16 106.360 -10.987 -20.364 1.00 0.00 C ATOM 274 OD1 ASN A 16 105.498 -11.274 -21.170 1.00 0.00 O ATOM 275 ND2 ASN A 16 106.340 -11.516 -19.171 1.00 0.00 N ATOM 0 H ASN A 16 106.153 -8.806 -19.115 1.00 0.00 H new ATOM 0 HA ASN A 16 107.664 -7.917 -21.383 1.00 0.00 H new ATOM 0 HB2 ASN A 16 108.065 -10.403 -21.561 1.00 0.00 H new ATOM 0 HB3 ASN A 16 108.161 -9.887 -19.889 1.00 0.00 H new ATOM 0 HD21 ASN A 16 105.600 -12.170 -18.916 1.00 0.00 H new ATOM 0 HD22 ASN A 16 107.064 -11.275 -18.494 1.00 0.00 H new ATOM 282 N ASN A 17 104.701 -8.917 -22.167 1.00 0.00 N ATOM 283 CA ASN A 17 103.781 -9.133 -23.329 1.00 0.00 C ATOM 284 C ASN A 17 103.019 -7.844 -23.681 1.00 0.00 C ATOM 285 O ASN A 17 101.923 -7.896 -24.207 1.00 0.00 O ATOM 286 CB ASN A 17 102.814 -10.245 -22.885 1.00 0.00 C ATOM 287 CG ASN A 17 102.021 -9.813 -21.645 1.00 0.00 C ATOM 288 OD1 ASN A 17 101.001 -9.166 -21.758 1.00 0.00 O ATOM 289 ND2 ASN A 17 102.453 -10.151 -20.460 1.00 0.00 N ATOM 0 H ASN A 17 104.246 -8.898 -21.254 1.00 0.00 H new ATOM 0 HA ASN A 17 104.329 -9.413 -24.228 1.00 0.00 H new ATOM 0 HB2 ASN A 17 102.127 -10.482 -23.697 1.00 0.00 H new ATOM 0 HB3 ASN A 17 103.374 -11.154 -22.666 1.00 0.00 H new ATOM 0 HD21 ASN A 17 101.933 -9.871 -19.629 1.00 0.00 H new ATOM 0 HD22 ASN A 17 103.311 -10.695 -20.366 1.00 0.00 H new ATOM 296 N ASP A 18 103.586 -6.682 -23.392 1.00 0.00 N ATOM 297 CA ASP A 18 102.978 -5.382 -23.848 1.00 0.00 C ATOM 298 C ASP A 18 101.552 -5.224 -23.304 1.00 0.00 C ATOM 299 O ASP A 18 100.734 -4.539 -23.889 1.00 0.00 O ATOM 300 CB ASP A 18 102.967 -5.429 -25.385 1.00 0.00 C ATOM 301 CG ASP A 18 104.405 -5.486 -25.911 1.00 0.00 C ATOM 302 OD1 ASP A 18 105.240 -4.773 -25.377 1.00 0.00 O ATOM 303 OD2 ASP A 18 104.646 -6.241 -26.838 1.00 0.00 O ATOM 0 H ASP A 18 104.449 -6.583 -22.857 1.00 0.00 H new ATOM 0 HA ASP A 18 103.551 -4.531 -23.480 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.410 -6.301 -25.728 1.00 0.00 H new ATOM 0 HB3 ASP A 18 102.459 -4.550 -25.782 1.00 0.00 H new ATOM 308 N SER A 19 101.251 -5.854 -22.191 1.00 0.00 N ATOM 309 CA SER A 19 99.973 -5.555 -21.480 1.00 0.00 C ATOM 310 C SER A 19 100.254 -4.564 -20.351 1.00 0.00 C ATOM 311 O SER A 19 101.209 -4.717 -19.612 1.00 0.00 O ATOM 312 CB SER A 19 99.498 -6.894 -20.917 1.00 0.00 C ATOM 313 OG SER A 19 100.471 -7.394 -20.010 1.00 0.00 O ATOM 0 H SER A 19 101.837 -6.561 -21.748 1.00 0.00 H new ATOM 0 HA SER A 19 99.220 -5.113 -22.132 1.00 0.00 H new ATOM 0 HB2 SER A 19 98.541 -6.769 -20.410 1.00 0.00 H new ATOM 0 HB3 SER A 19 99.339 -7.606 -21.727 1.00 0.00 H new ATOM 0 HG SER A 19 100.653 -8.336 -20.212 1.00 0.00 H new ATOM 319 N LYS A 20 99.433 -3.556 -20.213 1.00 0.00 N ATOM 320 CA LYS A 20 99.759 -2.451 -19.260 1.00 0.00 C ATOM 321 C LYS A 20 98.818 -2.492 -18.051 1.00 0.00 C ATOM 322 O LYS A 20 97.629 -2.716 -18.187 1.00 0.00 O ATOM 323 CB LYS A 20 99.544 -1.142 -20.043 1.00 0.00 C ATOM 324 CG LYS A 20 100.163 -1.230 -21.447 1.00 0.00 C ATOM 325 CD LYS A 20 100.225 0.167 -22.069 1.00 0.00 C ATOM 326 CE LYS A 20 98.814 0.619 -22.455 1.00 0.00 C ATOM 327 NZ LYS A 20 98.558 -0.010 -23.780 1.00 0.00 N ATOM 0 H LYS A 20 98.553 -3.449 -20.717 1.00 0.00 H new ATOM 0 HA LYS A 20 100.779 -2.539 -18.885 1.00 0.00 H new ATOM 0 HB2 LYS A 20 98.477 -0.934 -20.125 1.00 0.00 H new ATOM 0 HB3 LYS A 20 99.990 -0.310 -19.497 1.00 0.00 H new ATOM 0 HG2 LYS A 20 101.164 -1.658 -21.388 1.00 0.00 H new ATOM 0 HG3 LYS A 20 99.570 -1.893 -22.076 1.00 0.00 H new ATOM 0 HD2 LYS A 20 100.663 0.872 -21.362 1.00 0.00 H new ATOM 0 HD3 LYS A 20 100.868 0.156 -22.949 1.00 0.00 H new ATOM 0 HE2 LYS A 20 98.080 0.296 -21.716 1.00 0.00 H new ATOM 0 HE3 LYS A 20 98.750 1.705 -22.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 98.563 0.722 -24.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 99.300 -0.710 -23.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 97.632 -0.482 -23.767 1.00 0.00 H new ATOM 341 N ALA A 21 99.350 -2.278 -16.871 1.00 0.00 N ATOM 342 CA ALA A 21 98.492 -2.215 -15.649 1.00 0.00 C ATOM 343 C ALA A 21 99.012 -1.133 -14.696 1.00 0.00 C ATOM 344 O ALA A 21 100.205 -0.906 -14.601 1.00 0.00 O ATOM 345 CB ALA A 21 98.615 -3.599 -15.008 1.00 0.00 C ATOM 0 H ALA A 21 100.347 -2.144 -16.703 1.00 0.00 H new ATOM 0 HA ALA A 21 97.457 -1.964 -15.881 1.00 0.00 H new ATOM 0 HB1 ALA A 21 98.012 -3.635 -14.101 1.00 0.00 H new ATOM 0 HB2 ALA A 21 98.263 -4.357 -15.708 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.658 -3.793 -14.758 1.00 0.00 H new ATOM 351 N ARG A 22 98.127 -0.467 -13.992 1.00 0.00 N ATOM 352 CA ARG A 22 98.561 0.636 -13.077 1.00 0.00 C ATOM 353 C ARG A 22 97.798 0.570 -11.751 1.00 0.00 C ATOM 354 O ARG A 22 96.655 0.156 -11.706 1.00 0.00 O ATOM 355 CB ARG A 22 98.245 1.941 -13.827 1.00 0.00 C ATOM 356 CG ARG A 22 96.741 2.039 -14.127 1.00 0.00 C ATOM 357 CD ARG A 22 96.483 3.223 -15.065 1.00 0.00 C ATOM 358 NE ARG A 22 94.992 3.313 -15.189 1.00 0.00 N ATOM 359 CZ ARG A 22 94.425 3.999 -16.163 1.00 0.00 C ATOM 360 NH1 ARG A 22 95.136 4.641 -17.061 1.00 0.00 N ATOM 361 NH2 ARG A 22 93.122 4.044 -16.232 1.00 0.00 N ATOM 0 H ARG A 22 97.122 -0.640 -14.012 1.00 0.00 H new ATOM 0 HA ARG A 22 99.620 0.563 -12.829 1.00 0.00 H new ATOM 0 HB2 ARG A 22 98.559 2.796 -13.229 1.00 0.00 H new ATOM 0 HB3 ARG A 22 98.811 1.978 -14.758 1.00 0.00 H new ATOM 0 HG2 ARG A 22 96.390 1.115 -14.586 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.182 2.167 -13.200 1.00 0.00 H new ATOM 0 HD2 ARG A 22 96.900 4.145 -14.659 1.00 0.00 H new ATOM 0 HD3 ARG A 22 96.949 3.063 -16.037 1.00 0.00 H new ATOM 0 HE ARG A 22 94.404 2.834 -14.507 1.00 0.00 H new ATOM 0 HH11 ARG A 22 96.155 4.618 -17.017 1.00 0.00 H new ATOM 0 HH12 ARG A 22 94.670 5.163 -17.803 1.00 0.00 H new ATOM 0 HH21 ARG A 22 92.557 3.553 -15.539 1.00 0.00 H new ATOM 0 HH22 ARG A 22 92.669 4.570 -16.979 1.00 0.00 H new ATOM 375 N GLY A 23 98.430 0.975 -10.675 1.00 0.00 N ATOM 376 CA GLY A 23 97.748 0.959 -9.346 1.00 0.00 C ATOM 377 C GLY A 23 98.723 1.451 -8.274 1.00 0.00 C ATOM 378 O GLY A 23 99.816 1.889 -8.581 1.00 0.00 O ATOM 0 H GLY A 23 99.391 1.316 -10.662 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.864 1.596 -9.370 1.00 0.00 H new ATOM 0 HA3 GLY A 23 97.408 -0.050 -9.110 1.00 0.00 H new ATOM 382 N VAL A 24 98.337 1.384 -7.022 1.00 0.00 N ATOM 383 CA VAL A 24 99.232 1.879 -5.929 1.00 0.00 C ATOM 384 C VAL A 24 100.099 0.728 -5.408 1.00 0.00 C ATOM 385 O VAL A 24 99.638 -0.384 -5.257 1.00 0.00 O ATOM 386 CB VAL A 24 98.296 2.400 -4.825 1.00 0.00 C ATOM 387 CG1 VAL A 24 99.127 2.986 -3.678 1.00 0.00 C ATOM 388 CG2 VAL A 24 97.382 3.494 -5.392 1.00 0.00 C ATOM 0 H VAL A 24 97.441 1.008 -6.710 1.00 0.00 H new ATOM 0 HA VAL A 24 99.907 2.662 -6.274 1.00 0.00 H new ATOM 0 HB VAL A 24 97.690 1.573 -4.455 1.00 0.00 H new ATOM 0 HG11 VAL A 24 98.461 3.354 -2.898 1.00 0.00 H new ATOM 0 HG12 VAL A 24 99.776 2.213 -3.267 1.00 0.00 H new ATOM 0 HG13 VAL A 24 99.736 3.808 -4.053 1.00 0.00 H new ATOM 0 HG21 VAL A 24 96.721 3.859 -4.606 1.00 0.00 H new ATOM 0 HG22 VAL A 24 97.990 4.317 -5.767 1.00 0.00 H new ATOM 0 HG23 VAL A 24 96.785 3.083 -6.206 1.00 0.00 H new ATOM 398 N ILE A 25 101.351 0.995 -5.135 1.00 0.00 N ATOM 399 CA ILE A 25 102.268 -0.084 -4.642 1.00 0.00 C ATOM 400 C ILE A 25 102.076 -0.285 -3.133 1.00 0.00 C ATOM 401 O ILE A 25 102.004 0.668 -2.378 1.00 0.00 O ATOM 402 CB ILE A 25 103.684 0.429 -4.970 1.00 0.00 C ATOM 403 CG1 ILE A 25 103.869 0.452 -6.491 1.00 0.00 C ATOM 404 CG2 ILE A 25 104.756 -0.475 -4.335 1.00 0.00 C ATOM 405 CD1 ILE A 25 105.111 1.273 -6.845 1.00 0.00 C ATOM 0 H ILE A 25 101.781 1.915 -5.232 1.00 0.00 H new ATOM 0 HA ILE A 25 102.077 -1.052 -5.106 1.00 0.00 H new ATOM 0 HB ILE A 25 103.797 1.434 -4.562 1.00 0.00 H new ATOM 0 HG12 ILE A 25 103.973 -0.565 -6.870 1.00 0.00 H new ATOM 0 HG13 ILE A 25 102.988 0.882 -6.968 1.00 0.00 H new ATOM 0 HG21 ILE A 25 105.747 -0.092 -4.581 1.00 0.00 H new ATOM 0 HG22 ILE A 25 104.629 -0.485 -3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 25 104.652 -1.489 -4.722 1.00 0.00 H new ATOM 0 HD11 ILE A 25 105.241 1.288 -7.927 1.00 0.00 H new ATOM 0 HD12 ILE A 25 104.989 2.293 -6.480 1.00 0.00 H new ATOM 0 HD13 ILE A 25 105.989 0.824 -6.381 1.00 0.00 H new ATOM 417 N THR A 26 101.995 -1.522 -2.692 1.00 0.00 N ATOM 418 CA THR A 26 101.730 -1.789 -1.243 1.00 0.00 C ATOM 419 C THR A 26 102.800 -2.700 -0.625 1.00 0.00 C ATOM 420 O THR A 26 103.161 -2.523 0.525 1.00 0.00 O ATOM 421 CB THR A 26 100.360 -2.473 -1.204 1.00 0.00 C ATOM 422 OG1 THR A 26 100.362 -3.599 -2.074 1.00 0.00 O ATOM 423 CG2 THR A 26 99.275 -1.481 -1.636 1.00 0.00 C ATOM 0 H THR A 26 102.101 -2.354 -3.273 1.00 0.00 H new ATOM 0 HA THR A 26 101.752 -0.866 -0.664 1.00 0.00 H new ATOM 0 HB THR A 26 100.152 -2.808 -0.188 1.00 0.00 H new ATOM 0 HG1 THR A 26 100.516 -3.301 -2.995 1.00 0.00 H new ATOM 0 HG21 THR A 26 98.302 -1.971 -1.607 1.00 0.00 H new ATOM 0 HG22 THR A 26 99.272 -0.627 -0.958 1.00 0.00 H new ATOM 0 HG23 THR A 26 99.479 -1.138 -2.650 1.00 0.00 H new ATOM 431 N ASN A 27 103.315 -3.670 -1.356 1.00 0.00 N ATOM 432 CA ASN A 27 104.222 -4.674 -0.712 1.00 0.00 C ATOM 433 C ASN A 27 105.385 -5.044 -1.636 1.00 0.00 C ATOM 434 O ASN A 27 105.293 -4.929 -2.843 1.00 0.00 O ATOM 435 CB ASN A 27 103.338 -5.895 -0.455 1.00 0.00 C ATOM 436 CG ASN A 27 104.001 -6.794 0.589 1.00 0.00 C ATOM 437 OD1 ASN A 27 104.211 -6.385 1.714 1.00 0.00 O ATOM 438 ND2 ASN A 27 104.341 -8.011 0.263 1.00 0.00 N ATOM 0 H ASN A 27 103.148 -3.805 -2.353 1.00 0.00 H new ATOM 0 HA ASN A 27 104.669 -4.283 0.202 1.00 0.00 H new ATOM 0 HB2 ASN A 27 102.355 -5.579 -0.106 1.00 0.00 H new ATOM 0 HB3 ASN A 27 103.185 -6.448 -1.382 1.00 0.00 H new ATOM 0 HD21 ASN A 27 104.783 -8.619 0.952 1.00 0.00 H new ATOM 0 HD22 ASN A 27 104.165 -8.354 -0.681 1.00 0.00 H new ATOM 445 N PHE A 28 106.479 -5.485 -1.063 1.00 0.00 N ATOM 446 CA PHE A 28 107.633 -5.972 -1.876 1.00 0.00 C ATOM 447 C PHE A 28 108.379 -7.066 -1.109 1.00 0.00 C ATOM 448 O PHE A 28 108.554 -6.981 0.093 1.00 0.00 O ATOM 449 CB PHE A 28 108.525 -4.748 -2.077 1.00 0.00 C ATOM 450 CG PHE A 28 109.689 -4.999 -3.006 1.00 0.00 C ATOM 451 CD1 PHE A 28 109.460 -5.197 -4.390 1.00 0.00 C ATOM 452 CD2 PHE A 28 111.009 -5.036 -2.495 1.00 0.00 C ATOM 453 CE1 PHE A 28 110.551 -5.432 -5.262 1.00 0.00 C ATOM 454 CE2 PHE A 28 112.100 -5.271 -3.367 1.00 0.00 C ATOM 455 CZ PHE A 28 111.871 -5.469 -4.751 1.00 0.00 C ATOM 0 H PHE A 28 106.621 -5.528 -0.054 1.00 0.00 H new ATOM 0 HA PHE A 28 107.322 -6.402 -2.828 1.00 0.00 H new ATOM 0 HB2 PHE A 28 107.923 -3.930 -2.474 1.00 0.00 H new ATOM 0 HB3 PHE A 28 108.906 -4.423 -1.109 1.00 0.00 H new ATOM 0 HD1 PHE A 28 108.453 -5.169 -4.780 1.00 0.00 H new ATOM 0 HD2 PHE A 28 111.184 -4.885 -1.440 1.00 0.00 H new ATOM 0 HE1 PHE A 28 110.376 -5.583 -6.317 1.00 0.00 H new ATOM 0 HE2 PHE A 28 113.107 -5.299 -2.977 1.00 0.00 H new ATOM 0 HZ PHE A 28 112.703 -5.648 -5.416 1.00 0.00 H new ATOM 465 N ASP A 29 108.817 -8.087 -1.797 1.00 0.00 N ATOM 466 CA ASP A 29 109.510 -9.223 -1.116 1.00 0.00 C ATOM 467 C ASP A 29 110.910 -9.405 -1.706 1.00 0.00 C ATOM 468 O ASP A 29 111.061 -9.627 -2.892 1.00 0.00 O ATOM 469 CB ASP A 29 108.639 -10.446 -1.404 1.00 0.00 C ATOM 470 CG ASP A 29 109.136 -11.635 -0.578 1.00 0.00 C ATOM 471 OD1 ASP A 29 108.785 -11.709 0.589 1.00 0.00 O ATOM 472 OD2 ASP A 29 109.858 -12.450 -1.126 1.00 0.00 O ATOM 0 H ASP A 29 108.724 -8.184 -2.808 1.00 0.00 H new ATOM 0 HA ASP A 29 109.633 -9.058 -0.046 1.00 0.00 H new ATOM 0 HB2 ASP A 29 107.599 -10.230 -1.160 1.00 0.00 H new ATOM 0 HB3 ASP A 29 108.674 -10.688 -2.466 1.00 0.00 H new ATOM 477 N SER A 30 111.928 -9.312 -0.887 1.00 0.00 N ATOM 478 CA SER A 30 113.330 -9.447 -1.401 1.00 0.00 C ATOM 479 C SER A 30 113.640 -10.907 -1.753 1.00 0.00 C ATOM 480 O SER A 30 114.433 -11.181 -2.635 1.00 0.00 O ATOM 481 CB SER A 30 114.229 -8.971 -0.259 1.00 0.00 C ATOM 482 OG SER A 30 114.142 -9.891 0.821 1.00 0.00 O ATOM 0 H SER A 30 111.851 -9.148 0.117 1.00 0.00 H new ATOM 0 HA SER A 30 113.483 -8.865 -2.310 1.00 0.00 H new ATOM 0 HB2 SER A 30 115.261 -8.891 -0.602 1.00 0.00 H new ATOM 0 HB3 SER A 30 113.924 -7.977 0.069 1.00 0.00 H new ATOM 0 HG SER A 30 114.718 -9.590 1.554 1.00 0.00 H new ATOM 488 N SER A 31 113.021 -11.842 -1.070 1.00 0.00 N ATOM 489 CA SER A 31 113.336 -13.291 -1.310 1.00 0.00 C ATOM 490 C SER A 31 112.935 -13.707 -2.730 1.00 0.00 C ATOM 491 O SER A 31 113.672 -14.395 -3.411 1.00 0.00 O ATOM 492 CB SER A 31 112.512 -14.064 -0.277 1.00 0.00 C ATOM 493 OG SER A 31 112.763 -13.532 1.017 1.00 0.00 O ATOM 0 H SER A 31 112.312 -11.666 -0.358 1.00 0.00 H new ATOM 0 HA SER A 31 114.403 -13.490 -1.213 1.00 0.00 H new ATOM 0 HB2 SER A 31 111.450 -13.991 -0.513 1.00 0.00 H new ATOM 0 HB3 SER A 31 112.773 -15.122 -0.305 1.00 0.00 H new ATOM 0 HG SER A 31 112.236 -14.024 1.681 1.00 0.00 H new ATOM 499 N ASN A 32 111.774 -13.292 -3.180 1.00 0.00 N ATOM 500 CA ASN A 32 111.303 -13.690 -4.546 1.00 0.00 C ATOM 501 C ASN A 32 110.973 -12.459 -5.409 1.00 0.00 C ATOM 502 O ASN A 32 110.458 -12.592 -6.503 1.00 0.00 O ATOM 503 CB ASN A 32 110.040 -14.518 -4.301 1.00 0.00 C ATOM 504 CG ASN A 32 110.410 -15.822 -3.589 1.00 0.00 C ATOM 505 OD1 ASN A 32 111.441 -16.407 -3.860 1.00 0.00 O ATOM 506 ND2 ASN A 32 109.605 -16.308 -2.683 1.00 0.00 N ATOM 0 H ASN A 32 111.132 -12.694 -2.660 1.00 0.00 H new ATOM 0 HA ASN A 32 112.070 -14.244 -5.086 1.00 0.00 H new ATOM 0 HB2 ASN A 32 109.332 -13.950 -3.697 1.00 0.00 H new ATOM 0 HB3 ASN A 32 109.547 -14.736 -5.248 1.00 0.00 H new ATOM 0 HD21 ASN A 32 109.841 -17.177 -2.204 1.00 0.00 H new ATOM 0 HD22 ASN A 32 108.740 -15.819 -2.454 1.00 0.00 H new ATOM 513 N SER A 33 111.264 -11.262 -4.930 1.00 0.00 N ATOM 514 CA SER A 33 110.952 -10.011 -5.711 1.00 0.00 C ATOM 515 C SER A 33 109.485 -9.999 -6.173 1.00 0.00 C ATOM 516 O SER A 33 109.192 -10.076 -7.355 1.00 0.00 O ATOM 517 CB SER A 33 111.909 -10.030 -6.909 1.00 0.00 C ATOM 518 OG SER A 33 113.158 -9.475 -6.522 1.00 0.00 O ATOM 0 H SER A 33 111.707 -11.099 -4.026 1.00 0.00 H new ATOM 0 HA SER A 33 111.084 -9.114 -5.105 1.00 0.00 H new ATOM 0 HB2 SER A 33 112.046 -11.052 -7.263 1.00 0.00 H new ATOM 0 HB3 SER A 33 111.486 -9.460 -7.736 1.00 0.00 H new ATOM 0 HG SER A 33 113.772 -9.488 -7.286 1.00 0.00 H new ATOM 524 N ILE A 34 108.564 -9.901 -5.244 1.00 0.00 N ATOM 525 CA ILE A 34 107.111 -9.890 -5.609 1.00 0.00 C ATOM 526 C ILE A 34 106.463 -8.590 -5.116 1.00 0.00 C ATOM 527 O ILE A 34 106.638 -8.197 -3.977 1.00 0.00 O ATOM 528 CB ILE A 34 106.494 -11.109 -4.900 1.00 0.00 C ATOM 529 CG1 ILE A 34 107.268 -12.401 -5.257 1.00 0.00 C ATOM 530 CG2 ILE A 34 105.026 -11.262 -5.317 1.00 0.00 C ATOM 531 CD1 ILE A 34 107.244 -12.669 -6.773 1.00 0.00 C ATOM 0 H ILE A 34 108.757 -9.828 -4.245 1.00 0.00 H new ATOM 0 HA ILE A 34 106.957 -9.941 -6.687 1.00 0.00 H new ATOM 0 HB ILE A 34 106.557 -10.950 -3.824 1.00 0.00 H new ATOM 0 HG12 ILE A 34 108.300 -12.314 -4.918 1.00 0.00 H new ATOM 0 HG13 ILE A 34 106.829 -13.248 -4.729 1.00 0.00 H new ATOM 0 HG21 ILE A 34 104.593 -12.126 -4.813 1.00 0.00 H new ATOM 0 HG22 ILE A 34 104.473 -10.365 -5.039 1.00 0.00 H new ATOM 0 HG23 ILE A 34 104.967 -11.404 -6.396 1.00 0.00 H new ATOM 0 HD11 ILE A 34 107.796 -13.583 -6.990 1.00 0.00 H new ATOM 0 HD12 ILE A 34 106.212 -12.781 -7.106 1.00 0.00 H new ATOM 0 HD13 ILE A 34 107.706 -11.833 -7.298 1.00 0.00 H new ATOM 543 N LEU A 35 105.716 -7.927 -5.966 1.00 0.00 N ATOM 544 CA LEU A 35 105.122 -6.605 -5.595 1.00 0.00 C ATOM 545 C LEU A 35 103.597 -6.680 -5.646 1.00 0.00 C ATOM 546 O LEU A 35 103.022 -7.118 -6.625 1.00 0.00 O ATOM 547 CB LEU A 35 105.649 -5.634 -6.654 1.00 0.00 C ATOM 548 CG LEU A 35 105.233 -4.202 -6.302 1.00 0.00 C ATOM 549 CD1 LEU A 35 106.254 -3.591 -5.341 1.00 0.00 C ATOM 550 CD2 LEU A 35 105.171 -3.363 -7.581 1.00 0.00 C ATOM 0 H LEU A 35 105.491 -8.248 -6.908 1.00 0.00 H new ATOM 0 HA LEU A 35 105.389 -6.295 -4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 35 106.735 -5.702 -6.714 1.00 0.00 H new ATOM 0 HB3 LEU A 35 105.258 -5.905 -7.635 1.00 0.00 H new ATOM 0 HG LEU A 35 104.253 -4.216 -5.825 1.00 0.00 H new ATOM 0 HD11 LEU A 35 105.956 -2.573 -5.092 1.00 0.00 H new ATOM 0 HD12 LEU A 35 106.299 -4.188 -4.430 1.00 0.00 H new ATOM 0 HD13 LEU A 35 107.236 -3.576 -5.814 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.875 -2.344 -7.333 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.152 -3.351 -8.056 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.442 -3.796 -8.265 1.00 0.00 H new ATOM 562 N GLN A 36 102.941 -6.253 -4.596 1.00 0.00 N ATOM 563 CA GLN A 36 101.451 -6.194 -4.610 1.00 0.00 C ATOM 564 C GLN A 36 100.995 -4.778 -4.958 1.00 0.00 C ATOM 565 O GLN A 36 101.444 -3.812 -4.367 1.00 0.00 O ATOM 566 CB GLN A 36 101.020 -6.562 -3.191 1.00 0.00 C ATOM 567 CG GLN A 36 101.304 -8.045 -2.940 1.00 0.00 C ATOM 568 CD GLN A 36 100.938 -8.403 -1.497 1.00 0.00 C ATOM 569 OE1 GLN A 36 101.107 -7.603 -0.597 1.00 0.00 O ATOM 570 NE2 GLN A 36 100.440 -9.581 -1.237 1.00 0.00 N ATOM 0 H GLN A 36 103.377 -5.942 -3.728 1.00 0.00 H new ATOM 0 HA GLN A 36 101.015 -6.867 -5.349 1.00 0.00 H new ATOM 0 HB2 GLN A 36 101.557 -5.950 -2.466 1.00 0.00 H new ATOM 0 HB3 GLN A 36 99.958 -6.356 -3.057 1.00 0.00 H new ATOM 0 HG2 GLN A 36 100.729 -8.658 -3.634 1.00 0.00 H new ATOM 0 HG3 GLN A 36 102.357 -8.260 -3.122 1.00 0.00 H new ATOM 0 HE21 GLN A 36 100.298 -10.253 -1.992 1.00 0.00 H new ATOM 0 HE22 GLN A 36 100.193 -9.830 -0.279 1.00 0.00 H new ATOM 579 N LEU A 37 100.107 -4.652 -5.914 1.00 0.00 N ATOM 580 CA LEU A 37 99.589 -3.304 -6.291 1.00 0.00 C ATOM 581 C LEU A 37 98.122 -3.175 -5.879 1.00 0.00 C ATOM 582 O LEU A 37 97.277 -3.930 -6.324 1.00 0.00 O ATOM 583 CB LEU A 37 99.723 -3.231 -7.814 1.00 0.00 C ATOM 584 CG LEU A 37 101.166 -2.893 -8.192 1.00 0.00 C ATOM 585 CD1 LEU A 37 101.396 -3.221 -9.669 1.00 0.00 C ATOM 586 CD2 LEU A 37 101.418 -1.401 -7.961 1.00 0.00 C ATOM 0 H LEU A 37 99.719 -5.428 -6.450 1.00 0.00 H new ATOM 0 HA LEU A 37 100.136 -2.500 -5.798 1.00 0.00 H new ATOM 0 HB2 LEU A 37 99.434 -4.183 -8.260 1.00 0.00 H new ATOM 0 HB3 LEU A 37 99.047 -2.475 -8.212 1.00 0.00 H new ATOM 0 HG LEU A 37 101.848 -3.479 -7.576 1.00 0.00 H new ATOM 0 HD11 LEU A 37 102.424 -2.980 -9.939 1.00 0.00 H new ATOM 0 HD12 LEU A 37 101.215 -4.282 -9.838 1.00 0.00 H new ATOM 0 HD13 LEU A 37 100.713 -2.634 -10.283 1.00 0.00 H new ATOM 0 HD21 LEU A 37 102.446 -1.160 -8.230 1.00 0.00 H new ATOM 0 HD22 LEU A 37 100.735 -0.817 -8.578 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.253 -1.162 -6.910 1.00 0.00 H new ATOM 598 N ARG A 38 97.821 -2.223 -5.033 1.00 0.00 N ATOM 599 CA ARG A 38 96.402 -2.001 -4.620 1.00 0.00 C ATOM 600 C ARG A 38 95.776 -0.903 -5.484 1.00 0.00 C ATOM 601 O ARG A 38 96.281 0.201 -5.557 1.00 0.00 O ATOM 602 CB ARG A 38 96.475 -1.566 -3.154 1.00 0.00 C ATOM 603 CG ARG A 38 95.062 -1.479 -2.571 1.00 0.00 C ATOM 604 CD ARG A 38 95.136 -0.978 -1.125 1.00 0.00 C ATOM 605 NE ARG A 38 93.728 -1.032 -0.614 1.00 0.00 N ATOM 606 CZ ARG A 38 93.364 -0.371 0.469 1.00 0.00 C ATOM 607 NH1 ARG A 38 94.217 0.356 1.154 1.00 0.00 N ATOM 608 NH2 ARG A 38 92.124 -0.446 0.873 1.00 0.00 N ATOM 0 H ARG A 38 98.498 -1.589 -4.610 1.00 0.00 H new ATOM 0 HA ARG A 38 95.787 -2.893 -4.742 1.00 0.00 H new ATOM 0 HB2 ARG A 38 97.071 -2.277 -2.583 1.00 0.00 H new ATOM 0 HB3 ARG A 38 96.971 -0.599 -3.076 1.00 0.00 H new ATOM 0 HG2 ARG A 38 94.451 -0.804 -3.170 1.00 0.00 H new ATOM 0 HG3 ARG A 38 94.583 -2.457 -2.604 1.00 0.00 H new ATOM 0 HD2 ARG A 38 95.796 -1.604 -0.525 1.00 0.00 H new ATOM 0 HD3 ARG A 38 95.532 0.037 -1.080 1.00 0.00 H new ATOM 0 HE ARG A 38 93.037 -1.591 -1.114 1.00 0.00 H new ATOM 0 HH11 ARG A 38 95.189 0.421 0.853 1.00 0.00 H new ATOM 0 HH12 ARG A 38 93.907 0.856 1.987 1.00 0.00 H new ATOM 0 HH21 ARG A 38 91.452 -1.010 0.353 1.00 0.00 H new ATOM 0 HH22 ARG A 38 91.828 0.059 1.708 1.00 0.00 H new ATOM 622 N LEU A 39 94.681 -1.204 -6.137 1.00 0.00 N ATOM 623 CA LEU A 39 94.081 -0.228 -7.097 1.00 0.00 C ATOM 624 C LEU A 39 92.875 0.481 -6.471 1.00 0.00 C ATOM 625 O LEU A 39 92.195 -0.063 -5.617 1.00 0.00 O ATOM 626 CB LEU A 39 93.663 -1.077 -8.302 1.00 0.00 C ATOM 627 CG LEU A 39 93.325 -0.181 -9.505 1.00 0.00 C ATOM 628 CD1 LEU A 39 94.539 0.668 -9.897 1.00 0.00 C ATOM 629 CD2 LEU A 39 92.951 -1.068 -10.690 1.00 0.00 C ATOM 0 H LEU A 39 94.176 -2.086 -6.046 1.00 0.00 H new ATOM 0 HA LEU A 39 94.779 0.561 -7.377 1.00 0.00 H new ATOM 0 HB2 LEU A 39 94.468 -1.763 -8.567 1.00 0.00 H new ATOM 0 HB3 LEU A 39 92.798 -1.687 -8.041 1.00 0.00 H new ATOM 0 HG LEU A 39 92.498 0.476 -9.236 1.00 0.00 H new ATOM 0 HD11 LEU A 39 94.283 1.297 -10.750 1.00 0.00 H new ATOM 0 HD12 LEU A 39 94.829 1.298 -9.056 1.00 0.00 H new ATOM 0 HD13 LEU A 39 95.369 0.014 -10.164 1.00 0.00 H new ATOM 0 HD21 LEU A 39 92.709 -0.443 -11.550 1.00 0.00 H new ATOM 0 HD22 LEU A 39 93.791 -1.717 -10.938 1.00 0.00 H new ATOM 0 HD23 LEU A 39 92.086 -1.678 -10.429 1.00 0.00 H new ATOM 641 N ALA A 40 92.608 1.692 -6.903 1.00 0.00 N ATOM 642 CA ALA A 40 91.547 2.532 -6.249 1.00 0.00 C ATOM 643 C ALA A 40 90.141 1.941 -6.451 1.00 0.00 C ATOM 644 O ALA A 40 89.179 2.440 -5.894 1.00 0.00 O ATOM 645 CB ALA A 40 91.644 3.901 -6.925 1.00 0.00 C ATOM 0 H ALA A 40 93.083 2.140 -7.687 1.00 0.00 H new ATOM 0 HA ALA A 40 91.702 2.584 -5.171 1.00 0.00 H new ATOM 0 HB1 ALA A 40 90.897 4.571 -6.499 1.00 0.00 H new ATOM 0 HB2 ALA A 40 92.639 4.317 -6.764 1.00 0.00 H new ATOM 0 HB3 ALA A 40 91.465 3.792 -7.995 1.00 0.00 H new ATOM 651 N ASN A 41 90.005 0.894 -7.234 1.00 0.00 N ATOM 652 CA ASN A 41 88.672 0.220 -7.374 1.00 0.00 C ATOM 653 C ASN A 41 88.473 -0.839 -6.274 1.00 0.00 C ATOM 654 O ASN A 41 87.764 -1.808 -6.472 1.00 0.00 O ATOM 655 CB ASN A 41 88.707 -0.451 -8.750 1.00 0.00 C ATOM 656 CG ASN A 41 88.761 0.618 -9.844 1.00 0.00 C ATOM 657 OD1 ASN A 41 88.150 1.662 -9.723 1.00 0.00 O ATOM 658 ND2 ASN A 41 89.472 0.401 -10.917 1.00 0.00 N ATOM 0 H ASN A 41 90.759 0.478 -7.781 1.00 0.00 H new ATOM 0 HA ASN A 41 87.851 0.930 -7.279 1.00 0.00 H new ATOM 0 HB2 ASN A 41 89.576 -1.105 -8.824 1.00 0.00 H new ATOM 0 HB3 ASN A 41 87.824 -1.077 -8.883 1.00 0.00 H new ATOM 0 HD21 ASN A 41 89.514 1.107 -11.652 1.00 0.00 H new ATOM 0 HD22 ASN A 41 89.985 -0.474 -11.020 1.00 0.00 H new ATOM 665 N ASP A 42 89.091 -0.671 -5.112 1.00 0.00 N ATOM 666 CA ASP A 42 88.921 -1.656 -3.988 1.00 0.00 C ATOM 667 C ASP A 42 89.415 -3.046 -4.414 1.00 0.00 C ATOM 668 O ASP A 42 88.947 -4.053 -3.912 1.00 0.00 O ATOM 669 CB ASP A 42 87.417 -1.694 -3.681 1.00 0.00 C ATOM 670 CG ASP A 42 87.195 -2.278 -2.285 1.00 0.00 C ATOM 671 OD1 ASP A 42 87.051 -3.485 -2.185 1.00 0.00 O ATOM 672 OD2 ASP A 42 87.174 -1.507 -1.339 1.00 0.00 O ATOM 0 H ASP A 42 89.708 0.113 -4.900 1.00 0.00 H new ATOM 0 HA ASP A 42 89.500 -1.364 -3.112 1.00 0.00 H new ATOM 0 HB2 ASP A 42 86.998 -0.689 -3.737 1.00 0.00 H new ATOM 0 HB3 ASP A 42 86.898 -2.298 -4.426 1.00 0.00 H new ATOM 677 N SER A 43 90.357 -3.111 -5.335 1.00 0.00 N ATOM 678 CA SER A 43 90.887 -4.438 -5.777 1.00 0.00 C ATOM 679 C SER A 43 92.395 -4.513 -5.529 1.00 0.00 C ATOM 680 O SER A 43 93.103 -3.534 -5.671 1.00 0.00 O ATOM 681 CB SER A 43 90.584 -4.504 -7.274 1.00 0.00 C ATOM 682 OG SER A 43 89.179 -4.414 -7.473 1.00 0.00 O ATOM 0 H SER A 43 90.776 -2.303 -5.795 1.00 0.00 H new ATOM 0 HA SER A 43 90.435 -5.267 -5.233 1.00 0.00 H new ATOM 0 HB2 SER A 43 91.090 -3.691 -7.795 1.00 0.00 H new ATOM 0 HB3 SER A 43 90.963 -5.436 -7.693 1.00 0.00 H new ATOM 0 HG SER A 43 88.877 -3.504 -7.268 1.00 0.00 H new ATOM 688 N THR A 44 92.886 -5.671 -5.159 1.00 0.00 N ATOM 689 CA THR A 44 94.355 -5.832 -4.917 1.00 0.00 C ATOM 690 C THR A 44 94.898 -7.006 -5.740 1.00 0.00 C ATOM 691 O THR A 44 94.224 -8.002 -5.931 1.00 0.00 O ATOM 692 CB THR A 44 94.492 -6.099 -3.408 1.00 0.00 C ATOM 693 OG1 THR A 44 95.867 -6.253 -3.080 1.00 0.00 O ATOM 694 CG2 THR A 44 93.726 -7.370 -3.012 1.00 0.00 C ATOM 0 H THR A 44 92.331 -6.514 -5.014 1.00 0.00 H new ATOM 0 HA THR A 44 94.924 -4.952 -5.216 1.00 0.00 H new ATOM 0 HB THR A 44 94.072 -5.254 -2.862 1.00 0.00 H new ATOM 0 HG1 THR A 44 95.957 -6.421 -2.119 1.00 0.00 H new ATOM 0 HG21 THR A 44 93.835 -7.542 -1.941 1.00 0.00 H new ATOM 0 HG22 THR A 44 92.670 -7.249 -3.254 1.00 0.00 H new ATOM 0 HG23 THR A 44 94.128 -8.223 -3.559 1.00 0.00 H new ATOM 702 N LYS A 45 96.110 -6.891 -6.226 1.00 0.00 N ATOM 703 CA LYS A 45 96.688 -7.976 -7.076 1.00 0.00 C ATOM 704 C LYS A 45 98.187 -8.126 -6.802 1.00 0.00 C ATOM 705 O LYS A 45 98.892 -7.150 -6.621 1.00 0.00 O ATOM 706 CB LYS A 45 96.449 -7.519 -8.516 1.00 0.00 C ATOM 707 CG LYS A 45 96.787 -8.659 -9.478 1.00 0.00 C ATOM 708 CD LYS A 45 96.595 -8.185 -10.921 1.00 0.00 C ATOM 709 CE LYS A 45 96.756 -9.371 -11.874 1.00 0.00 C ATOM 710 NZ LYS A 45 95.947 -9.013 -13.072 1.00 0.00 N ATOM 0 H LYS A 45 96.724 -6.091 -6.070 1.00 0.00 H new ATOM 0 HA LYS A 45 96.232 -8.945 -6.873 1.00 0.00 H new ATOM 0 HB2 LYS A 45 95.410 -7.217 -8.645 1.00 0.00 H new ATOM 0 HB3 LYS A 45 97.064 -6.647 -8.739 1.00 0.00 H new ATOM 0 HG2 LYS A 45 97.816 -8.985 -9.325 1.00 0.00 H new ATOM 0 HG3 LYS A 45 96.147 -9.519 -9.278 1.00 0.00 H new ATOM 0 HD2 LYS A 45 95.607 -7.741 -11.040 1.00 0.00 H new ATOM 0 HD3 LYS A 45 97.324 -7.411 -11.161 1.00 0.00 H new ATOM 0 HE2 LYS A 45 97.802 -9.528 -12.136 1.00 0.00 H new ATOM 0 HE3 LYS A 45 96.400 -10.295 -11.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 96.007 -9.779 -13.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 94.955 -8.877 -12.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 96.314 -8.133 -13.488 1.00 0.00 H new ATOM 724 N SER A 46 98.673 -9.343 -6.771 1.00 0.00 N ATOM 725 CA SER A 46 100.135 -9.570 -6.560 1.00 0.00 C ATOM 726 C SER A 46 100.816 -9.878 -7.896 1.00 0.00 C ATOM 727 O SER A 46 100.442 -10.807 -8.590 1.00 0.00 O ATOM 728 CB SER A 46 100.217 -10.775 -5.624 1.00 0.00 C ATOM 729 OG SER A 46 99.743 -11.931 -6.303 1.00 0.00 O ATOM 0 H SER A 46 98.117 -10.191 -6.883 1.00 0.00 H new ATOM 0 HA SER A 46 100.635 -8.697 -6.142 1.00 0.00 H new ATOM 0 HB2 SER A 46 101.246 -10.927 -5.298 1.00 0.00 H new ATOM 0 HB3 SER A 46 99.622 -10.596 -4.729 1.00 0.00 H new ATOM 0 HG SER A 46 99.736 -11.764 -7.269 1.00 0.00 H new ATOM 735 N ILE A 47 101.811 -9.106 -8.258 1.00 0.00 N ATOM 736 CA ILE A 47 102.521 -9.337 -9.554 1.00 0.00 C ATOM 737 C ILE A 47 104.031 -9.391 -9.303 1.00 0.00 C ATOM 738 O ILE A 47 104.588 -8.529 -8.645 1.00 0.00 O ATOM 739 CB ILE A 47 102.154 -8.135 -10.442 1.00 0.00 C ATOM 740 CG1 ILE A 47 100.633 -8.080 -10.643 1.00 0.00 C ATOM 741 CG2 ILE A 47 102.831 -8.276 -11.811 1.00 0.00 C ATOM 742 CD1 ILE A 47 100.245 -6.742 -11.276 1.00 0.00 C ATOM 0 H ILE A 47 102.163 -8.322 -7.709 1.00 0.00 H new ATOM 0 HA ILE A 47 102.236 -10.277 -10.027 1.00 0.00 H new ATOM 0 HB ILE A 47 102.493 -7.221 -9.955 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.311 -8.903 -11.282 1.00 0.00 H new ATOM 0 HG13 ILE A 47 100.125 -8.202 -9.686 1.00 0.00 H new ATOM 0 HG21 ILE A 47 102.568 -7.423 -12.436 1.00 0.00 H new ATOM 0 HG22 ILE A 47 103.913 -8.311 -11.680 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.494 -9.195 -12.291 1.00 0.00 H new ATOM 0 HD11 ILE A 47 99.165 -6.706 -11.417 1.00 0.00 H new ATOM 0 HD12 ILE A 47 100.553 -5.927 -10.621 1.00 0.00 H new ATOM 0 HD13 ILE A 47 100.741 -6.639 -12.241 1.00 0.00 H new ATOM 754 N VAL A 48 104.693 -10.395 -9.821 1.00 0.00 N ATOM 755 CA VAL A 48 106.169 -10.516 -9.600 1.00 0.00 C ATOM 756 C VAL A 48 106.898 -9.465 -10.444 1.00 0.00 C ATOM 757 O VAL A 48 106.552 -9.229 -11.585 1.00 0.00 O ATOM 758 CB VAL A 48 106.556 -11.938 -10.043 1.00 0.00 C ATOM 759 CG1 VAL A 48 108.028 -12.200 -9.698 1.00 0.00 C ATOM 760 CG2 VAL A 48 105.662 -12.980 -9.343 1.00 0.00 C ATOM 0 H VAL A 48 104.277 -11.135 -10.386 1.00 0.00 H new ATOM 0 HA VAL A 48 106.442 -10.350 -8.558 1.00 0.00 H new ATOM 0 HB VAL A 48 106.414 -12.024 -11.120 1.00 0.00 H new ATOM 0 HG11 VAL A 48 108.302 -13.207 -10.012 1.00 0.00 H new ATOM 0 HG12 VAL A 48 108.657 -11.475 -10.215 1.00 0.00 H new ATOM 0 HG13 VAL A 48 108.172 -12.104 -8.622 1.00 0.00 H new ATOM 0 HG21 VAL A 48 105.948 -13.981 -9.667 1.00 0.00 H new ATOM 0 HG22 VAL A 48 105.786 -12.899 -8.263 1.00 0.00 H new ATOM 0 HG23 VAL A 48 104.619 -12.799 -9.604 1.00 0.00 H new ATOM 770 N THR A 49 107.901 -8.835 -9.887 1.00 0.00 N ATOM 771 CA THR A 49 108.571 -7.699 -10.598 1.00 0.00 C ATOM 772 C THR A 49 109.451 -8.202 -11.750 1.00 0.00 C ATOM 773 O THR A 49 109.711 -7.478 -12.693 1.00 0.00 O ATOM 774 CB THR A 49 109.422 -6.992 -9.539 1.00 0.00 C ATOM 775 OG1 THR A 49 110.314 -7.925 -8.951 1.00 0.00 O ATOM 776 CG2 THR A 49 108.515 -6.396 -8.460 1.00 0.00 C ATOM 0 H THR A 49 108.287 -9.057 -8.969 1.00 0.00 H new ATOM 0 HA THR A 49 107.838 -7.028 -11.045 1.00 0.00 H new ATOM 0 HB THR A 49 109.992 -6.191 -10.009 1.00 0.00 H new ATOM 0 HG1 THR A 49 110.860 -7.473 -8.274 1.00 0.00 H new ATOM 0 HG21 THR A 49 109.125 -5.894 -7.709 1.00 0.00 H new ATOM 0 HG22 THR A 49 107.834 -5.677 -8.914 1.00 0.00 H new ATOM 0 HG23 THR A 49 107.940 -7.192 -7.988 1.00 0.00 H new ATOM 784 N LYS A 50 109.916 -9.427 -11.685 1.00 0.00 N ATOM 785 CA LYS A 50 110.835 -9.941 -12.756 1.00 0.00 C ATOM 786 C LYS A 50 110.140 -9.929 -14.123 1.00 0.00 C ATOM 787 O LYS A 50 110.791 -9.861 -15.151 1.00 0.00 O ATOM 788 CB LYS A 50 111.195 -11.378 -12.349 1.00 0.00 C ATOM 789 CG LYS A 50 111.967 -11.381 -11.021 1.00 0.00 C ATOM 790 CD LYS A 50 112.165 -12.824 -10.549 1.00 0.00 C ATOM 791 CE LYS A 50 110.838 -13.386 -10.038 1.00 0.00 C ATOM 792 NZ LYS A 50 111.156 -14.766 -9.577 1.00 0.00 N ATOM 0 H LYS A 50 109.702 -10.092 -10.942 1.00 0.00 H new ATOM 0 HA LYS A 50 111.723 -9.315 -12.849 1.00 0.00 H new ATOM 0 HB2 LYS A 50 110.287 -11.973 -12.251 1.00 0.00 H new ATOM 0 HB3 LYS A 50 111.798 -11.843 -13.129 1.00 0.00 H new ATOM 0 HG2 LYS A 50 112.933 -10.893 -11.149 1.00 0.00 H new ATOM 0 HG3 LYS A 50 111.420 -10.813 -10.269 1.00 0.00 H new ATOM 0 HD2 LYS A 50 112.539 -13.437 -11.369 1.00 0.00 H new ATOM 0 HD3 LYS A 50 112.914 -12.859 -9.758 1.00 0.00 H new ATOM 0 HE2 LYS A 50 110.440 -12.780 -9.224 1.00 0.00 H new ATOM 0 HE3 LYS A 50 110.084 -13.397 -10.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 110.293 -15.217 -9.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 111.526 -15.322 -10.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 111.871 -14.724 -8.823 1.00 0.00 H new ATOM 806 N ASP A 51 108.830 -9.994 -14.147 1.00 0.00 N ATOM 807 CA ASP A 51 108.101 -9.896 -15.452 1.00 0.00 C ATOM 808 C ASP A 51 107.788 -8.429 -15.809 1.00 0.00 C ATOM 809 O ASP A 51 107.024 -8.167 -16.723 1.00 0.00 O ATOM 810 CB ASP A 51 106.809 -10.715 -15.279 1.00 0.00 C ATOM 811 CG ASP A 51 105.954 -10.163 -14.131 1.00 0.00 C ATOM 812 OD1 ASP A 51 105.635 -8.987 -14.161 1.00 0.00 O ATOM 813 OD2 ASP A 51 105.632 -10.932 -13.240 1.00 0.00 O ATOM 0 H ASP A 51 108.237 -10.110 -13.325 1.00 0.00 H new ATOM 0 HA ASP A 51 108.707 -10.282 -16.272 1.00 0.00 H new ATOM 0 HB2 ASP A 51 106.235 -10.695 -16.206 1.00 0.00 H new ATOM 0 HB3 ASP A 51 107.059 -11.757 -15.081 1.00 0.00 H new ATOM 818 N ILE A 52 108.364 -7.474 -15.105 1.00 0.00 N ATOM 819 CA ILE A 52 108.203 -6.038 -15.516 1.00 0.00 C ATOM 820 C ILE A 52 109.024 -5.766 -16.780 1.00 0.00 C ATOM 821 O ILE A 52 110.240 -5.802 -16.759 1.00 0.00 O ATOM 822 CB ILE A 52 108.733 -5.203 -14.334 1.00 0.00 C ATOM 823 CG1 ILE A 52 107.838 -5.426 -13.107 1.00 0.00 C ATOM 824 CG2 ILE A 52 108.740 -3.707 -14.702 1.00 0.00 C ATOM 825 CD1 ILE A 52 108.493 -4.796 -11.873 1.00 0.00 C ATOM 0 H ILE A 52 108.933 -7.627 -14.272 1.00 0.00 H new ATOM 0 HA ILE A 52 107.166 -5.790 -15.742 1.00 0.00 H new ATOM 0 HB ILE A 52 109.752 -5.517 -14.106 1.00 0.00 H new ATOM 0 HG12 ILE A 52 106.856 -4.984 -13.275 1.00 0.00 H new ATOM 0 HG13 ILE A 52 107.684 -6.493 -12.945 1.00 0.00 H new ATOM 0 HG21 ILE A 52 109.116 -3.127 -13.859 1.00 0.00 H new ATOM 0 HG22 ILE A 52 109.383 -3.548 -15.568 1.00 0.00 H new ATOM 0 HG23 ILE A 52 107.726 -3.386 -14.939 1.00 0.00 H new ATOM 0 HD11 ILE A 52 107.857 -4.955 -11.002 1.00 0.00 H new ATOM 0 HD12 ILE A 52 109.465 -5.258 -11.701 1.00 0.00 H new ATOM 0 HD13 ILE A 52 108.624 -3.726 -12.037 1.00 0.00 H new ATOM 837 N LYS A 53 108.361 -5.495 -17.879 1.00 0.00 N ATOM 838 CA LYS A 53 109.095 -5.044 -19.103 1.00 0.00 C ATOM 839 C LYS A 53 109.421 -3.553 -19.003 1.00 0.00 C ATOM 840 O LYS A 53 110.494 -3.121 -19.383 1.00 0.00 O ATOM 841 CB LYS A 53 108.143 -5.303 -20.272 1.00 0.00 C ATOM 842 CG LYS A 53 108.866 -5.041 -21.596 1.00 0.00 C ATOM 843 CD LYS A 53 107.891 -5.241 -22.758 1.00 0.00 C ATOM 844 CE LYS A 53 108.647 -5.130 -24.084 1.00 0.00 C ATOM 845 NZ LYS A 53 107.729 -5.717 -25.100 1.00 0.00 N ATOM 0 H LYS A 53 107.349 -5.566 -17.981 1.00 0.00 H new ATOM 0 HA LYS A 53 110.040 -5.573 -19.228 1.00 0.00 H new ATOM 0 HB2 LYS A 53 107.784 -6.332 -20.240 1.00 0.00 H new ATOM 0 HB3 LYS A 53 107.268 -4.658 -20.191 1.00 0.00 H new ATOM 0 HG2 LYS A 53 109.263 -4.026 -21.611 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.715 -5.717 -21.699 1.00 0.00 H new ATOM 0 HD2 LYS A 53 107.412 -6.217 -22.681 1.00 0.00 H new ATOM 0 HD3 LYS A 53 107.099 -4.493 -22.715 1.00 0.00 H new ATOM 0 HE2 LYS A 53 108.883 -4.092 -24.318 1.00 0.00 H new ATOM 0 HE3 LYS A 53 109.592 -5.671 -24.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 108.012 -5.399 -26.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 107.778 -6.755 -25.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 106.755 -5.407 -24.908 1.00 0.00 H new ATOM 859 N ASP A 54 108.505 -2.766 -18.491 1.00 0.00 N ATOM 860 CA ASP A 54 108.706 -1.276 -18.498 1.00 0.00 C ATOM 861 C ASP A 54 107.944 -0.617 -17.347 1.00 0.00 C ATOM 862 O ASP A 54 106.873 -1.055 -16.974 1.00 0.00 O ATOM 863 CB ASP A 54 108.149 -0.800 -19.841 1.00 0.00 C ATOM 864 CG ASP A 54 109.079 -1.243 -20.973 1.00 0.00 C ATOM 865 OD1 ASP A 54 110.276 -1.045 -20.843 1.00 0.00 O ATOM 866 OD2 ASP A 54 108.577 -1.774 -21.950 1.00 0.00 O ATOM 0 H ASP A 54 107.632 -3.085 -18.071 1.00 0.00 H new ATOM 0 HA ASP A 54 109.756 -1.013 -18.371 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.151 -1.209 -19.997 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.052 0.286 -19.841 1.00 0.00 H new ATOM 871 N LEU A 55 108.490 0.439 -16.789 1.00 0.00 N ATOM 872 CA LEU A 55 107.854 1.089 -15.601 1.00 0.00 C ATOM 873 C LEU A 55 107.650 2.591 -15.840 1.00 0.00 C ATOM 874 O LEU A 55 108.459 3.241 -16.475 1.00 0.00 O ATOM 875 CB LEU A 55 108.845 0.879 -14.454 1.00 0.00 C ATOM 876 CG LEU A 55 108.781 -0.571 -13.971 1.00 0.00 C ATOM 877 CD1 LEU A 55 110.118 -0.960 -13.338 1.00 0.00 C ATOM 878 CD2 LEU A 55 107.667 -0.713 -12.931 1.00 0.00 C ATOM 0 H LEU A 55 109.353 0.879 -17.108 1.00 0.00 H new ATOM 0 HA LEU A 55 106.872 0.664 -15.392 1.00 0.00 H new ATOM 0 HB2 LEU A 55 109.855 1.117 -14.787 1.00 0.00 H new ATOM 0 HB3 LEU A 55 108.612 1.556 -13.632 1.00 0.00 H new ATOM 0 HG LEU A 55 108.576 -1.226 -14.818 1.00 0.00 H new ATOM 0 HD11 LEU A 55 110.071 -1.993 -12.994 1.00 0.00 H new ATOM 0 HD12 LEU A 55 110.913 -0.859 -14.077 1.00 0.00 H new ATOM 0 HD13 LEU A 55 110.324 -0.305 -12.491 1.00 0.00 H new ATOM 0 HD21 LEU A 55 107.621 -1.746 -12.586 1.00 0.00 H new ATOM 0 HD22 LEU A 55 107.873 -0.057 -12.085 1.00 0.00 H new ATOM 0 HD23 LEU A 55 106.713 -0.437 -13.380 1.00 0.00 H new ATOM 890 N ARG A 56 106.571 3.137 -15.333 1.00 0.00 N ATOM 891 CA ARG A 56 106.376 4.620 -15.373 1.00 0.00 C ATOM 892 C ARG A 56 105.559 5.076 -14.155 1.00 0.00 C ATOM 893 O ARG A 56 104.857 4.291 -13.543 1.00 0.00 O ATOM 894 CB ARG A 56 105.621 4.900 -16.681 1.00 0.00 C ATOM 895 CG ARG A 56 104.231 4.248 -16.650 1.00 0.00 C ATOM 896 CD ARG A 56 103.494 4.544 -17.958 1.00 0.00 C ATOM 897 NE ARG A 56 104.279 3.847 -19.029 1.00 0.00 N ATOM 898 CZ ARG A 56 104.127 4.154 -20.303 1.00 0.00 C ATOM 899 NH1 ARG A 56 103.277 5.076 -20.695 1.00 0.00 N ATOM 900 NH2 ARG A 56 104.838 3.523 -21.198 1.00 0.00 N ATOM 0 H ARG A 56 105.813 2.616 -14.891 1.00 0.00 H new ATOM 0 HA ARG A 56 107.321 5.162 -15.339 1.00 0.00 H new ATOM 0 HB2 ARG A 56 105.521 5.976 -16.827 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.191 4.515 -17.526 1.00 0.00 H new ATOM 0 HG2 ARG A 56 104.327 3.171 -16.511 1.00 0.00 H new ATOM 0 HG3 ARG A 56 103.659 4.629 -15.804 1.00 0.00 H new ATOM 0 HD2 ARG A 56 102.468 4.177 -17.922 1.00 0.00 H new ATOM 0 HD3 ARG A 56 103.442 5.617 -18.145 1.00 0.00 H new ATOM 0 HE ARG A 56 104.945 3.120 -18.767 1.00 0.00 H new ATOM 0 HH11 ARG A 56 102.713 5.576 -20.007 1.00 0.00 H new ATOM 0 HH12 ARG A 56 103.181 5.292 -21.687 1.00 0.00 H new ATOM 0 HH21 ARG A 56 105.500 2.803 -20.908 1.00 0.00 H new ATOM 0 HH22 ARG A 56 104.731 3.750 -22.187 1.00 0.00 H new ATOM 914 N ILE A 57 105.648 6.335 -13.804 1.00 0.00 N ATOM 915 CA ILE A 57 104.808 6.872 -12.687 1.00 0.00 C ATOM 916 C ILE A 57 103.751 7.824 -13.259 1.00 0.00 C ATOM 917 O ILE A 57 104.062 8.716 -14.025 1.00 0.00 O ATOM 918 CB ILE A 57 105.781 7.623 -11.760 1.00 0.00 C ATOM 919 CG1 ILE A 57 106.867 6.662 -11.254 1.00 0.00 C ATOM 920 CG2 ILE A 57 105.012 8.185 -10.558 1.00 0.00 C ATOM 921 CD1 ILE A 57 107.974 7.456 -10.555 1.00 0.00 C ATOM 0 H ILE A 57 106.267 7.016 -14.243 1.00 0.00 H new ATOM 0 HA ILE A 57 104.281 6.087 -12.146 1.00 0.00 H new ATOM 0 HB ILE A 57 106.245 8.437 -12.317 1.00 0.00 H new ATOM 0 HG12 ILE A 57 106.433 5.939 -10.563 1.00 0.00 H new ATOM 0 HG13 ILE A 57 107.283 6.096 -12.088 1.00 0.00 H new ATOM 0 HG21 ILE A 57 105.701 8.717 -9.902 1.00 0.00 H new ATOM 0 HG22 ILE A 57 104.241 8.872 -10.908 1.00 0.00 H new ATOM 0 HG23 ILE A 57 104.547 7.367 -10.009 1.00 0.00 H new ATOM 0 HD11 ILE A 57 108.743 6.771 -10.197 1.00 0.00 H new ATOM 0 HD12 ILE A 57 108.416 8.162 -11.259 1.00 0.00 H new ATOM 0 HD13 ILE A 57 107.553 8.002 -9.711 1.00 0.00 H new ATOM 933 N LEU A 58 102.506 7.636 -12.890 1.00 0.00 N ATOM 934 CA LEU A 58 101.411 8.469 -13.485 1.00 0.00 C ATOM 935 C LEU A 58 101.435 9.883 -12.884 1.00 0.00 C ATOM 936 O LEU A 58 102.012 10.089 -11.833 1.00 0.00 O ATOM 937 CB LEU A 58 100.104 7.753 -13.128 1.00 0.00 C ATOM 938 CG LEU A 58 100.063 6.384 -13.812 1.00 0.00 C ATOM 939 CD1 LEU A 58 98.996 5.511 -13.148 1.00 0.00 C ATOM 940 CD2 LEU A 58 99.728 6.557 -15.296 1.00 0.00 C ATOM 0 H LEU A 58 102.201 6.944 -12.205 1.00 0.00 H new ATOM 0 HA LEU A 58 101.524 8.578 -14.564 1.00 0.00 H new ATOM 0 HB2 LEU A 58 100.027 7.633 -12.047 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.251 8.354 -13.443 1.00 0.00 H new ATOM 0 HG LEU A 58 101.038 5.905 -13.715 1.00 0.00 H new ATOM 0 HD11 LEU A 58 98.968 4.537 -13.636 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.237 5.382 -12.093 1.00 0.00 H new ATOM 0 HD13 LEU A 58 98.022 5.992 -13.242 1.00 0.00 H new ATOM 0 HD21 LEU A 58 99.700 5.580 -15.779 1.00 0.00 H new ATOM 0 HD22 LEU A 58 98.756 7.039 -15.396 1.00 0.00 H new ATOM 0 HD23 LEU A 58 100.490 7.175 -15.771 1.00 0.00 H new