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 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 36 GLN :FLIP amide:sc= 0 X(o=-0.065,f=0) USER MOD Set 2.1: A 16 ASN : amide:sc= -1.2 K(o=-0.86,f=-4.4!) USER MOD Set 2.2: A 17 ASN : amide:sc= -0.65 K(o=-0.86,f=-3.9!) USER MOD Set 2.3: A 19 SER OG : rot -132:sc= 0.983 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN :FLIP amide:sc= -0.0584 F(o=-0.9,f=-0.058) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -65:sc= 0.709 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0046 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.202 X(o=-0.2,f=-0.22) USER MOD Single : A 43 SER OG : rot 72:sc= 0.0985 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 6:sc= 0.743 USER MOD Single : A 49 THR OG1 : rot -81:sc= 0.17 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 163:sc= 0.0509 (180deg=0.0163) USER MOD ----------------------------------------------------------------- ATOM 151 N GLY A 8 102.735 2.997 -1.497 1.00 0.00 N ATOM 152 CA GLY A 8 101.566 3.927 -1.535 1.00 0.00 C ATOM 153 C GLY A 8 101.628 4.823 -2.784 1.00 0.00 C ATOM 154 O GLY A 8 100.756 5.646 -2.997 1.00 0.00 O ATOM 0 HA2 GLY A 8 100.639 3.354 -1.537 1.00 0.00 H new ATOM 0 HA3 GLY A 8 101.557 4.545 -0.637 1.00 0.00 H new ATOM 158 N SER A 9 102.643 4.676 -3.611 1.00 0.00 N ATOM 159 CA SER A 9 102.746 5.525 -4.839 1.00 0.00 C ATOM 160 C SER A 9 101.978 4.879 -5.993 1.00 0.00 C ATOM 161 O SER A 9 101.965 3.670 -6.138 1.00 0.00 O ATOM 162 CB SER A 9 104.240 5.593 -5.158 1.00 0.00 C ATOM 163 OG SER A 9 104.444 6.461 -6.265 1.00 0.00 O ATOM 0 H SER A 9 103.401 4.005 -3.485 1.00 0.00 H new ATOM 0 HA SER A 9 102.320 6.517 -4.689 1.00 0.00 H new ATOM 0 HB2 SER A 9 104.793 5.954 -4.291 1.00 0.00 H new ATOM 0 HB3 SER A 9 104.621 4.598 -5.386 1.00 0.00 H new ATOM 0 HG SER A 9 105.401 6.509 -6.471 1.00 0.00 H new ATOM 169 N ASN A 10 101.340 5.677 -6.815 1.00 0.00 N ATOM 170 CA ASN A 10 100.616 5.119 -7.998 1.00 0.00 C ATOM 171 C ASN A 10 101.542 5.101 -9.213 1.00 0.00 C ATOM 172 O ASN A 10 101.958 6.137 -9.703 1.00 0.00 O ATOM 173 CB ASN A 10 99.442 6.070 -8.238 1.00 0.00 C ATOM 174 CG ASN A 10 98.462 5.432 -9.225 1.00 0.00 C ATOM 175 OD1 ASN A 10 97.696 4.454 -8.824 1.00 0.00 O flip ATOM 176 ND2 ASN A 10 98.393 5.828 -10.371 1.00 0.00 N flip ATOM 0 H ASN A 10 101.290 6.691 -6.717 1.00 0.00 H new ATOM 0 HA ASN A 10 100.280 4.096 -7.831 1.00 0.00 H new ATOM 0 HB2 ASN A 10 98.937 6.286 -7.296 1.00 0.00 H new ATOM 0 HB3 ASN A 10 99.804 7.020 -8.631 1.00 0.00 H new ATOM 0 HD21 ASN A 10 98.992 6.592 -10.683 1.00 0.00 H new ATOM 0 HD22 ASN A 10 97.736 5.396 -11.021 1.00 0.00 H new ATOM 183 N VAL A 11 101.867 3.931 -9.699 1.00 0.00 N ATOM 184 CA VAL A 11 102.748 3.823 -10.901 1.00 0.00 C ATOM 185 C VAL A 11 102.118 2.869 -11.918 1.00 0.00 C ATOM 186 O VAL A 11 101.246 2.087 -11.583 1.00 0.00 O ATOM 187 CB VAL A 11 104.091 3.270 -10.388 1.00 0.00 C ATOM 188 CG1 VAL A 11 104.720 4.273 -9.419 1.00 0.00 C ATOM 189 CG2 VAL A 11 103.879 1.933 -9.662 1.00 0.00 C ATOM 0 H VAL A 11 101.558 3.039 -9.312 1.00 0.00 H new ATOM 0 HA VAL A 11 102.884 4.783 -11.400 1.00 0.00 H new ATOM 0 HB VAL A 11 104.751 3.111 -11.240 1.00 0.00 H new ATOM 0 HG11 VAL A 11 105.670 3.881 -9.056 1.00 0.00 H new ATOM 0 HG12 VAL A 11 104.890 5.219 -9.934 1.00 0.00 H new ATOM 0 HG13 VAL A 11 104.048 4.435 -8.576 1.00 0.00 H new ATOM 0 HG21 VAL A 11 104.838 1.556 -9.306 1.00 0.00 H new ATOM 0 HG22 VAL A 11 103.210 2.081 -8.814 1.00 0.00 H new ATOM 0 HG23 VAL A 11 103.438 1.211 -10.350 1.00 0.00 H new ATOM 199 N GLU A 12 102.549 2.927 -13.154 1.00 0.00 N ATOM 200 CA GLU A 12 102.069 1.938 -14.163 1.00 0.00 C ATOM 201 C GLU A 12 103.258 1.132 -14.692 1.00 0.00 C ATOM 202 O GLU A 12 104.355 1.639 -14.815 1.00 0.00 O ATOM 203 CB GLU A 12 101.436 2.782 -15.276 1.00 0.00 C ATOM 204 CG GLU A 12 100.905 1.873 -16.392 1.00 0.00 C ATOM 205 CD GLU A 12 100.259 2.727 -17.483 1.00 0.00 C ATOM 206 OE1 GLU A 12 99.259 3.364 -17.196 1.00 0.00 O ATOM 207 OE2 GLU A 12 100.775 2.731 -18.589 1.00 0.00 O ATOM 0 H GLU A 12 103.212 3.617 -13.506 1.00 0.00 H new ATOM 0 HA GLU A 12 101.356 1.224 -13.752 1.00 0.00 H new ATOM 0 HB2 GLU A 12 100.623 3.383 -14.869 1.00 0.00 H new ATOM 0 HB3 GLU A 12 102.173 3.475 -15.681 1.00 0.00 H new ATOM 0 HG2 GLU A 12 101.719 1.282 -16.812 1.00 0.00 H new ATOM 0 HG3 GLU A 12 100.177 1.170 -15.987 1.00 0.00 H new ATOM 214 N VAL A 13 103.043 -0.119 -15.002 1.00 0.00 N ATOM 215 CA VAL A 13 104.139 -0.952 -15.578 1.00 0.00 C ATOM 216 C VAL A 13 103.615 -1.731 -16.782 1.00 0.00 C ATOM 217 O VAL A 13 102.478 -2.172 -16.789 1.00 0.00 O ATOM 218 CB VAL A 13 104.568 -1.904 -14.445 1.00 0.00 C ATOM 219 CG1 VAL A 13 103.439 -2.885 -14.101 1.00 0.00 C ATOM 220 CG2 VAL A 13 105.796 -2.698 -14.887 1.00 0.00 C ATOM 0 H VAL A 13 102.152 -0.601 -14.881 1.00 0.00 H new ATOM 0 HA VAL A 13 104.980 -0.353 -15.928 1.00 0.00 H new ATOM 0 HB VAL A 13 104.800 -1.308 -13.563 1.00 0.00 H new ATOM 0 HG11 VAL A 13 103.764 -3.547 -13.299 1.00 0.00 H new ATOM 0 HG12 VAL A 13 102.559 -2.328 -13.778 1.00 0.00 H new ATOM 0 HG13 VAL A 13 103.190 -3.477 -14.982 1.00 0.00 H new ATOM 0 HG21 VAL A 13 106.101 -3.372 -14.087 1.00 0.00 H new ATOM 0 HG22 VAL A 13 105.553 -3.278 -15.777 1.00 0.00 H new ATOM 0 HG23 VAL A 13 106.611 -2.011 -15.113 1.00 0.00 H new ATOM 230 N LEU A 14 104.421 -1.903 -17.798 1.00 0.00 N ATOM 231 CA LEU A 14 104.036 -2.868 -18.871 1.00 0.00 C ATOM 232 C LEU A 14 104.715 -4.203 -18.614 1.00 0.00 C ATOM 233 O LEU A 14 105.887 -4.258 -18.285 1.00 0.00 O ATOM 234 CB LEU A 14 104.518 -2.302 -20.218 1.00 0.00 C ATOM 235 CG LEU A 14 104.110 -0.827 -20.444 1.00 0.00 C ATOM 236 CD1 LEU A 14 103.927 -0.605 -21.949 1.00 0.00 C ATOM 237 CD2 LEU A 14 102.799 -0.472 -19.722 1.00 0.00 C ATOM 0 H LEU A 14 105.313 -1.427 -17.931 1.00 0.00 H new ATOM 0 HA LEU A 14 102.956 -3.012 -18.884 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.604 -2.383 -20.271 1.00 0.00 H new ATOM 0 HB3 LEU A 14 104.113 -2.911 -21.026 1.00 0.00 H new ATOM 0 HG LEU A 14 104.894 -0.187 -20.038 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.639 0.430 -22.132 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.864 -0.817 -22.465 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.148 -1.270 -22.323 1.00 0.00 H new ATOM 0 HD21 LEU A 14 102.552 0.573 -19.909 1.00 0.00 H new ATOM 0 HD22 LEU A 14 101.995 -1.107 -20.094 1.00 0.00 H new ATOM 0 HD23 LEU A 14 102.920 -0.630 -18.650 1.00 0.00 H new ATOM 249 N LEU A 15 103.990 -5.277 -18.760 1.00 0.00 N ATOM 250 CA LEU A 15 104.609 -6.621 -18.572 1.00 0.00 C ATOM 251 C LEU A 15 105.327 -7.049 -19.855 1.00 0.00 C ATOM 252 O LEU A 15 105.302 -6.353 -20.854 1.00 0.00 O ATOM 253 CB LEU A 15 103.451 -7.572 -18.256 1.00 0.00 C ATOM 254 CG LEU A 15 102.805 -7.178 -16.925 1.00 0.00 C ATOM 255 CD1 LEU A 15 101.495 -7.946 -16.746 1.00 0.00 C ATOM 256 CD2 LEU A 15 103.755 -7.522 -15.775 1.00 0.00 C ATOM 0 H LEU A 15 102.999 -5.284 -19.001 1.00 0.00 H new ATOM 0 HA LEU A 15 105.350 -6.622 -17.773 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.710 -7.536 -19.055 1.00 0.00 H new ATOM 0 HB3 LEU A 15 103.815 -8.598 -18.205 1.00 0.00 H new ATOM 0 HG LEU A 15 102.603 -6.107 -16.924 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.035 -7.665 -15.798 1.00 0.00 H new ATOM 0 HD12 LEU A 15 100.817 -7.704 -17.564 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.698 -9.017 -16.748 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.295 -7.242 -14.827 1.00 0.00 H new ATOM 0 HD22 LEU A 15 103.957 -8.593 -15.778 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.690 -6.976 -15.900 1.00 0.00 H new ATOM 268 N ASN A 16 105.966 -8.193 -19.828 1.00 0.00 N ATOM 269 CA ASN A 16 106.752 -8.669 -21.021 1.00 0.00 C ATOM 270 C ASN A 16 105.864 -8.788 -22.271 1.00 0.00 C ATOM 271 O ASN A 16 106.354 -8.772 -23.386 1.00 0.00 O ATOM 272 CB ASN A 16 107.313 -10.047 -20.623 1.00 0.00 C ATOM 273 CG ASN A 16 106.170 -11.007 -20.264 1.00 0.00 C ATOM 274 OD1 ASN A 16 105.316 -11.287 -21.081 1.00 0.00 O ATOM 275 ND2 ASN A 16 106.122 -11.524 -19.067 1.00 0.00 N ATOM 0 H ASN A 16 105.980 -8.825 -19.028 1.00 0.00 H new ATOM 0 HA ASN A 16 107.543 -7.964 -21.277 1.00 0.00 H new ATOM 0 HB2 ASN A 16 107.898 -10.460 -21.445 1.00 0.00 H new ATOM 0 HB3 ASN A 16 107.987 -9.941 -19.773 1.00 0.00 H new ATOM 0 HD21 ASN A 16 105.367 -12.163 -18.817 1.00 0.00 H new ATOM 0 HD22 ASN A 16 106.839 -11.289 -18.381 1.00 0.00 H new ATOM 282 N ASN A 17 104.569 -8.904 -22.094 1.00 0.00 N ATOM 283 CA ASN A 17 103.661 -9.107 -23.267 1.00 0.00 C ATOM 284 C ASN A 17 102.926 -7.803 -23.632 1.00 0.00 C ATOM 285 O ASN A 17 101.836 -7.839 -24.171 1.00 0.00 O ATOM 286 CB ASN A 17 102.668 -10.198 -22.832 1.00 0.00 C ATOM 287 CG ASN A 17 101.869 -9.749 -21.601 1.00 0.00 C ATOM 288 OD1 ASN A 17 100.861 -9.086 -21.727 1.00 0.00 O ATOM 289 ND2 ASN A 17 102.282 -10.090 -20.410 1.00 0.00 N ATOM 0 H ASN A 17 104.102 -8.867 -21.188 1.00 0.00 H new ATOM 0 HA ASN A 17 104.216 -9.400 -24.158 1.00 0.00 H new ATOM 0 HB2 ASN A 17 101.986 -10.423 -23.652 1.00 0.00 H new ATOM 0 HB3 ASN A 17 103.208 -11.118 -22.605 1.00 0.00 H new ATOM 0 HD21 ASN A 17 101.757 -9.799 -19.585 1.00 0.00 H new ATOM 0 HD22 ASN A 17 103.130 -10.648 -20.304 1.00 0.00 H new ATOM 296 N ASP A 18 103.511 -6.651 -23.339 1.00 0.00 N ATOM 297 CA ASP A 18 102.932 -5.342 -23.806 1.00 0.00 C ATOM 298 C ASP A 18 101.502 -5.158 -23.280 1.00 0.00 C ATOM 299 O ASP A 18 100.704 -4.458 -23.876 1.00 0.00 O ATOM 300 CB ASP A 18 102.940 -5.394 -25.342 1.00 0.00 C ATOM 301 CG ASP A 18 104.384 -5.473 -25.848 1.00 0.00 C ATOM 302 OD1 ASP A 18 105.222 -4.772 -25.305 1.00 0.00 O ATOM 303 OD2 ASP A 18 104.626 -6.233 -26.770 1.00 0.00 O ATOM 0 H ASP A 18 104.369 -6.566 -22.794 1.00 0.00 H new ATOM 0 HA ASP A 18 103.515 -4.500 -23.433 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.375 -6.259 -25.689 1.00 0.00 H new ATOM 0 HB3 ASP A 18 102.450 -4.509 -25.748 1.00 0.00 H new ATOM 308 N SER A 19 101.175 -5.780 -22.170 1.00 0.00 N ATOM 309 CA SER A 19 99.894 -5.455 -21.476 1.00 0.00 C ATOM 310 C SER A 19 100.177 -4.463 -20.350 1.00 0.00 C ATOM 311 O SER A 19 101.099 -4.645 -19.575 1.00 0.00 O ATOM 312 CB SER A 19 99.390 -6.783 -20.912 1.00 0.00 C ATOM 313 OG SER A 19 100.345 -7.295 -19.992 1.00 0.00 O ATOM 0 H SER A 19 101.742 -6.497 -21.718 1.00 0.00 H new ATOM 0 HA SER A 19 99.156 -5.003 -22.139 1.00 0.00 H new ATOM 0 HB2 SER A 19 98.430 -6.640 -20.416 1.00 0.00 H new ATOM 0 HB3 SER A 19 99.228 -7.496 -21.720 1.00 0.00 H new ATOM 0 HG SER A 19 100.513 -8.241 -20.187 1.00 0.00 H new ATOM 319 N LYS A 20 99.394 -3.420 -20.250 1.00 0.00 N ATOM 320 CA LYS A 20 99.737 -2.314 -19.306 1.00 0.00 C ATOM 321 C LYS A 20 98.764 -2.292 -18.124 1.00 0.00 C ATOM 322 O LYS A 20 97.567 -2.446 -18.291 1.00 0.00 O ATOM 323 CB LYS A 20 99.603 -1.015 -20.121 1.00 0.00 C ATOM 324 CG LYS A 20 100.369 -1.117 -21.453 1.00 0.00 C ATOM 325 CD LYS A 20 99.412 -1.530 -22.575 1.00 0.00 C ATOM 326 CE LYS A 20 100.004 -1.119 -23.926 1.00 0.00 C ATOM 327 NZ LYS A 20 98.834 -1.019 -24.842 1.00 0.00 N ATOM 0 H LYS A 20 98.533 -3.286 -20.780 1.00 0.00 H new ATOM 0 HA LYS A 20 100.739 -2.438 -18.896 1.00 0.00 H new ATOM 0 HB2 LYS A 20 98.550 -0.812 -20.318 1.00 0.00 H new ATOM 0 HB3 LYS A 20 99.986 -0.176 -19.540 1.00 0.00 H new ATOM 0 HG2 LYS A 20 100.830 -0.159 -21.691 1.00 0.00 H new ATOM 0 HG3 LYS A 20 101.175 -1.846 -21.364 1.00 0.00 H new ATOM 0 HD2 LYS A 20 99.248 -2.607 -22.550 1.00 0.00 H new ATOM 0 HD3 LYS A 20 98.441 -1.057 -22.432 1.00 0.00 H new ATOM 0 HE2 LYS A 20 100.531 -0.168 -23.853 1.00 0.00 H new ATOM 0 HE3 LYS A 20 100.723 -1.856 -24.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 99.158 -0.741 -25.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 98.356 -1.941 -24.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 98.170 -0.305 -24.480 1.00 0.00 H new ATOM 341 N ALA A 21 99.276 -2.100 -16.932 1.00 0.00 N ATOM 342 CA ALA A 21 98.392 -1.973 -15.733 1.00 0.00 C ATOM 343 C ALA A 21 98.957 -0.916 -14.776 1.00 0.00 C ATOM 344 O ALA A 21 100.154 -0.711 -14.710 1.00 0.00 O ATOM 345 CB ALA A 21 98.410 -3.353 -15.078 1.00 0.00 C ATOM 0 H ALA A 21 100.275 -2.026 -16.738 1.00 0.00 H new ATOM 0 HA ALA A 21 97.381 -1.662 -15.994 1.00 0.00 H new ATOM 0 HB1 ALA A 21 97.782 -3.341 -14.187 1.00 0.00 H new ATOM 0 HB2 ALA A 21 98.029 -4.094 -15.781 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.432 -3.610 -14.798 1.00 0.00 H new ATOM 351 N ARG A 22 98.103 -0.249 -14.035 1.00 0.00 N ATOM 352 CA ARG A 22 98.584 0.814 -13.095 1.00 0.00 C ATOM 353 C ARG A 22 97.786 0.779 -11.789 1.00 0.00 C ATOM 354 O ARG A 22 96.628 0.408 -11.772 1.00 0.00 O ATOM 355 CB ARG A 22 98.369 2.146 -13.834 1.00 0.00 C ATOM 356 CG ARG A 22 96.887 2.337 -14.182 1.00 0.00 C ATOM 357 CD ARG A 22 96.736 3.524 -15.141 1.00 0.00 C ATOM 358 NE ARG A 22 95.259 3.687 -15.343 1.00 0.00 N ATOM 359 CZ ARG A 22 94.753 4.798 -15.843 1.00 0.00 C ATOM 360 NH1 ARG A 22 95.516 5.809 -16.190 1.00 0.00 N ATOM 361 NH2 ARG A 22 93.461 4.892 -15.998 1.00 0.00 N ATOM 0 H ARG A 22 97.094 -0.395 -14.041 1.00 0.00 H new ATOM 0 HA ARG A 22 99.630 0.672 -12.824 1.00 0.00 H new ATOM 0 HB2 ARG A 22 98.712 2.973 -13.212 1.00 0.00 H new ATOM 0 HB3 ARG A 22 98.967 2.163 -14.745 1.00 0.00 H new ATOM 0 HG2 ARG A 22 96.491 1.432 -14.642 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.309 2.513 -13.275 1.00 0.00 H new ATOM 0 HD2 ARG A 22 97.177 4.428 -14.720 1.00 0.00 H new ATOM 0 HD3 ARG A 22 97.243 3.332 -16.087 1.00 0.00 H new ATOM 0 HE ARG A 22 94.633 2.923 -15.089 1.00 0.00 H new ATOM 0 HH11 ARG A 22 96.528 5.747 -16.075 1.00 0.00 H new ATOM 0 HH12 ARG A 22 95.097 6.656 -16.574 1.00 0.00 H new ATOM 0 HH21 ARG A 22 92.858 4.113 -15.734 1.00 0.00 H new ATOM 0 HH22 ARG A 22 93.054 5.744 -16.383 1.00 0.00 H new ATOM 375 N GLY A 23 98.407 1.164 -10.699 1.00 0.00 N ATOM 376 CA GLY A 23 97.694 1.170 -9.385 1.00 0.00 C ATOM 377 C GLY A 23 98.659 1.632 -8.290 1.00 0.00 C ATOM 378 O GLY A 23 99.772 2.038 -8.570 1.00 0.00 O ATOM 0 H GLY A 23 99.378 1.474 -10.664 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.831 1.834 -9.429 1.00 0.00 H new ATOM 0 HA3 GLY A 23 97.318 0.173 -9.157 1.00 0.00 H new ATOM 382 N VAL A 24 98.243 1.571 -7.047 1.00 0.00 N ATOM 383 CA VAL A 24 99.117 2.055 -5.931 1.00 0.00 C ATOM 384 C VAL A 24 99.966 0.895 -5.397 1.00 0.00 C ATOM 385 O VAL A 24 99.488 -0.212 -5.245 1.00 0.00 O ATOM 386 CB VAL A 24 98.155 2.574 -4.847 1.00 0.00 C ATOM 387 CG1 VAL A 24 98.957 3.145 -3.674 1.00 0.00 C ATOM 388 CG2 VAL A 24 97.267 3.681 -5.426 1.00 0.00 C ATOM 0 H VAL A 24 97.335 1.207 -6.757 1.00 0.00 H new ATOM 0 HA VAL A 24 99.806 2.836 -6.254 1.00 0.00 H new ATOM 0 HB VAL A 24 97.534 1.747 -4.502 1.00 0.00 H new ATOM 0 HG11 VAL A 24 98.272 3.511 -2.909 1.00 0.00 H new ATOM 0 HG12 VAL A 24 99.589 2.364 -3.251 1.00 0.00 H new ATOM 0 HG13 VAL A 24 99.581 3.967 -4.026 1.00 0.00 H new ATOM 0 HG21 VAL A 24 96.588 4.044 -4.654 1.00 0.00 H new ATOM 0 HG22 VAL A 24 97.892 4.503 -5.776 1.00 0.00 H new ATOM 0 HG23 VAL A 24 96.688 3.284 -6.260 1.00 0.00 H new ATOM 398 N ILE A 25 101.219 1.147 -5.114 1.00 0.00 N ATOM 399 CA ILE A 25 102.118 0.057 -4.613 1.00 0.00 C ATOM 400 C ILE A 25 101.861 -0.188 -3.120 1.00 0.00 C ATOM 401 O ILE A 25 101.664 0.739 -2.358 1.00 0.00 O ATOM 402 CB ILE A 25 103.549 0.576 -4.854 1.00 0.00 C ATOM 403 CG1 ILE A 25 103.787 0.726 -6.362 1.00 0.00 C ATOM 404 CG2 ILE A 25 104.584 -0.399 -4.270 1.00 0.00 C ATOM 405 CD1 ILE A 25 105.035 1.578 -6.603 1.00 0.00 C ATOM 0 H ILE A 25 101.661 2.061 -5.208 1.00 0.00 H new ATOM 0 HA ILE A 25 101.948 -0.893 -5.120 1.00 0.00 H new ATOM 0 HB ILE A 25 103.660 1.541 -4.360 1.00 0.00 H new ATOM 0 HG12 ILE A 25 103.910 -0.255 -6.820 1.00 0.00 H new ATOM 0 HG13 ILE A 25 102.921 1.191 -6.833 1.00 0.00 H new ATOM 0 HG21 ILE A 25 105.588 -0.015 -4.450 1.00 0.00 H new ATOM 0 HG22 ILE A 25 104.422 -0.502 -3.197 1.00 0.00 H new ATOM 0 HG23 ILE A 25 104.477 -1.373 -4.748 1.00 0.00 H new ATOM 0 HD11 ILE A 25 105.202 1.683 -7.675 1.00 0.00 H new ATOM 0 HD12 ILE A 25 104.894 2.564 -6.159 1.00 0.00 H new ATOM 0 HD13 ILE A 25 105.899 1.095 -6.147 1.00 0.00 H new ATOM 417 N THR A 26 101.862 -1.435 -2.705 1.00 0.00 N ATOM 418 CA THR A 26 101.607 -1.749 -1.264 1.00 0.00 C ATOM 419 C THR A 26 102.739 -2.595 -0.664 1.00 0.00 C ATOM 420 O THR A 26 103.089 -2.424 0.490 1.00 0.00 O ATOM 421 CB THR A 26 100.293 -2.533 -1.252 1.00 0.00 C ATOM 422 OG1 THR A 26 100.388 -3.633 -2.145 1.00 0.00 O ATOM 423 CG2 THR A 26 99.142 -1.621 -1.682 1.00 0.00 C ATOM 0 H THR A 26 102.028 -2.245 -3.302 1.00 0.00 H new ATOM 0 HA THR A 26 101.555 -0.841 -0.664 1.00 0.00 H new ATOM 0 HB THR A 26 100.102 -2.900 -0.243 1.00 0.00 H new ATOM 0 HG1 THR A 26 100.477 -3.302 -3.063 1.00 0.00 H new ATOM 0 HG21 THR A 26 98.209 -2.184 -1.672 1.00 0.00 H new ATOM 0 HG22 THR A 26 99.066 -0.781 -0.992 1.00 0.00 H new ATOM 0 HG23 THR A 26 99.330 -1.248 -2.689 1.00 0.00 H new ATOM 431 N ASN A 27 103.318 -3.502 -1.424 1.00 0.00 N ATOM 432 CA ASN A 27 104.321 -4.439 -0.825 1.00 0.00 C ATOM 433 C ASN A 27 105.520 -4.632 -1.756 1.00 0.00 C ATOM 434 O ASN A 27 105.396 -4.571 -2.964 1.00 0.00 O ATOM 435 CB ASN A 27 103.570 -5.758 -0.644 1.00 0.00 C ATOM 436 CG ASN A 27 104.346 -6.660 0.317 1.00 0.00 C ATOM 437 OD1 ASN A 27 104.482 -6.349 1.483 1.00 0.00 O ATOM 438 ND2 ASN A 27 104.863 -7.773 -0.126 1.00 0.00 N ATOM 0 H ASN A 27 103.140 -3.630 -2.420 1.00 0.00 H new ATOM 0 HA ASN A 27 104.719 -4.056 0.114 1.00 0.00 H new ATOM 0 HB2 ASN A 27 102.570 -5.569 -0.254 1.00 0.00 H new ATOM 0 HB3 ASN A 27 103.448 -6.254 -1.607 1.00 0.00 H new ATOM 0 HD21 ASN A 27 105.381 -8.382 0.507 1.00 0.00 H new ATOM 0 HD22 ASN A 27 104.749 -8.034 -1.105 1.00 0.00 H new ATOM 445 N PHE A 28 106.679 -4.860 -1.190 1.00 0.00 N ATOM 446 CA PHE A 28 107.879 -5.210 -2.009 1.00 0.00 C ATOM 447 C PHE A 28 108.803 -6.126 -1.202 1.00 0.00 C ATOM 448 O PHE A 28 109.125 -5.843 -0.062 1.00 0.00 O ATOM 449 CB PHE A 28 108.564 -3.875 -2.304 1.00 0.00 C ATOM 450 CG PHE A 28 109.674 -3.982 -3.324 1.00 0.00 C ATOM 451 CD1 PHE A 28 109.367 -4.282 -4.673 1.00 0.00 C ATOM 452 CD2 PHE A 28 111.019 -3.780 -2.931 1.00 0.00 C ATOM 453 CE1 PHE A 28 110.407 -4.382 -5.630 1.00 0.00 C ATOM 454 CE2 PHE A 28 112.059 -3.879 -3.888 1.00 0.00 C ATOM 455 CZ PHE A 28 111.752 -4.179 -5.237 1.00 0.00 C ATOM 0 H PHE A 28 106.846 -4.818 -0.185 1.00 0.00 H new ATOM 0 HA PHE A 28 107.621 -5.739 -2.926 1.00 0.00 H new ATOM 0 HB2 PHE A 28 107.819 -3.164 -2.662 1.00 0.00 H new ATOM 0 HB3 PHE A 28 108.970 -3.471 -1.377 1.00 0.00 H new ATOM 0 HD1 PHE A 28 108.341 -4.435 -4.973 1.00 0.00 H new ATOM 0 HD2 PHE A 28 111.252 -3.550 -1.902 1.00 0.00 H new ATOM 0 HE1 PHE A 28 110.174 -4.613 -6.659 1.00 0.00 H new ATOM 0 HE2 PHE A 28 113.085 -3.726 -3.589 1.00 0.00 H new ATOM 0 HZ PHE A 28 112.544 -4.253 -5.967 1.00 0.00 H new ATOM 465 N ASP A 29 109.227 -7.218 -1.786 1.00 0.00 N ATOM 466 CA ASP A 29 110.062 -8.205 -1.036 1.00 0.00 C ATOM 467 C ASP A 29 111.398 -8.409 -1.753 1.00 0.00 C ATOM 468 O ASP A 29 111.433 -8.758 -2.915 1.00 0.00 O ATOM 469 CB ASP A 29 109.243 -9.498 -1.044 1.00 0.00 C ATOM 470 CG ASP A 29 109.899 -10.526 -0.120 1.00 0.00 C ATOM 471 OD1 ASP A 29 109.696 -10.430 1.080 1.00 0.00 O ATOM 472 OD2 ASP A 29 110.592 -11.392 -0.628 1.00 0.00 O ATOM 0 H ASP A 29 109.030 -7.470 -2.755 1.00 0.00 H new ATOM 0 HA ASP A 29 110.291 -7.875 -0.023 1.00 0.00 H new ATOM 0 HB2 ASP A 29 108.223 -9.297 -0.715 1.00 0.00 H new ATOM 0 HB3 ASP A 29 109.179 -9.894 -2.058 1.00 0.00 H new ATOM 477 N SER A 30 112.491 -8.190 -1.064 1.00 0.00 N ATOM 478 CA SER A 30 113.835 -8.318 -1.714 1.00 0.00 C ATOM 479 C SER A 30 114.196 -9.794 -1.933 1.00 0.00 C ATOM 480 O SER A 30 114.917 -10.128 -2.857 1.00 0.00 O ATOM 481 CB SER A 30 114.821 -7.669 -0.739 1.00 0.00 C ATOM 482 OG SER A 30 114.908 -8.460 0.438 1.00 0.00 O ATOM 0 H SER A 30 112.512 -7.928 -0.078 1.00 0.00 H new ATOM 0 HA SER A 30 113.854 -7.841 -2.694 1.00 0.00 H new ATOM 0 HB2 SER A 30 115.803 -7.579 -1.203 1.00 0.00 H new ATOM 0 HB3 SER A 30 114.492 -6.660 -0.489 1.00 0.00 H new ATOM 0 HG SER A 30 115.540 -8.048 1.063 1.00 0.00 H new ATOM 488 N SER A 31 113.702 -10.674 -1.094 1.00 0.00 N ATOM 489 CA SER A 31 114.080 -12.124 -1.206 1.00 0.00 C ATOM 490 C SER A 31 113.591 -12.711 -2.536 1.00 0.00 C ATOM 491 O SER A 31 114.305 -13.448 -3.192 1.00 0.00 O ATOM 492 CB SER A 31 113.386 -12.818 -0.031 1.00 0.00 C ATOM 493 OG SER A 31 113.671 -12.109 1.167 1.00 0.00 O ATOM 0 H SER A 31 113.055 -10.454 -0.337 1.00 0.00 H new ATOM 0 HA SER A 31 115.161 -12.260 -1.179 1.00 0.00 H new ATOM 0 HB2 SER A 31 112.310 -12.854 -0.199 1.00 0.00 H new ATOM 0 HB3 SER A 31 113.730 -13.849 0.052 1.00 0.00 H new ATOM 0 HG SER A 31 113.227 -12.549 1.921 1.00 0.00 H new ATOM 499 N ASN A 32 112.384 -12.389 -2.934 1.00 0.00 N ATOM 500 CA ASN A 32 111.836 -12.937 -4.217 1.00 0.00 C ATOM 501 C ASN A 32 111.390 -11.809 -5.166 1.00 0.00 C ATOM 502 O ASN A 32 110.839 -12.071 -6.218 1.00 0.00 O ATOM 503 CB ASN A 32 110.633 -13.784 -3.800 1.00 0.00 C ATOM 504 CG ASN A 32 111.109 -14.996 -2.994 1.00 0.00 C ATOM 505 OD1 ASN A 32 112.138 -15.572 -3.292 1.00 0.00 O ATOM 506 ND2 ASN A 32 110.402 -15.410 -1.979 1.00 0.00 N ATOM 0 H ASN A 32 111.753 -11.769 -2.426 1.00 0.00 H new ATOM 0 HA ASN A 32 112.587 -13.512 -4.759 1.00 0.00 H new ATOM 0 HB2 ASN A 32 109.944 -13.186 -3.203 1.00 0.00 H new ATOM 0 HB3 ASN A 32 110.085 -14.114 -4.683 1.00 0.00 H new ATOM 0 HD21 ASN A 32 110.712 -16.216 -1.436 1.00 0.00 H new ATOM 0 HD22 ASN A 32 109.539 -14.928 -1.728 1.00 0.00 H new ATOM 513 N SER A 33 111.623 -10.559 -4.805 1.00 0.00 N ATOM 514 CA SER A 33 111.190 -9.403 -5.669 1.00 0.00 C ATOM 515 C SER A 33 109.703 -9.525 -6.046 1.00 0.00 C ATOM 516 O SER A 33 109.355 -9.725 -7.196 1.00 0.00 O ATOM 517 CB SER A 33 112.081 -9.469 -6.915 1.00 0.00 C ATOM 518 OG SER A 33 113.434 -9.653 -6.517 1.00 0.00 O ATOM 0 H SER A 33 112.098 -10.291 -3.943 1.00 0.00 H new ATOM 0 HA SER A 33 111.295 -8.450 -5.150 1.00 0.00 H new ATOM 0 HB2 SER A 33 111.765 -10.290 -7.559 1.00 0.00 H new ATOM 0 HB3 SER A 33 111.982 -8.552 -7.496 1.00 0.00 H new ATOM 0 HG SER A 33 114.006 -9.697 -7.312 1.00 0.00 H new ATOM 524 N ILE A 34 108.829 -9.403 -5.075 1.00 0.00 N ATOM 525 CA ILE A 34 107.362 -9.512 -5.357 1.00 0.00 C ATOM 526 C ILE A 34 106.671 -8.187 -5.011 1.00 0.00 C ATOM 527 O ILE A 34 106.918 -7.605 -3.973 1.00 0.00 O ATOM 528 CB ILE A 34 106.848 -10.650 -4.455 1.00 0.00 C ATOM 529 CG1 ILE A 34 107.650 -11.948 -4.707 1.00 0.00 C ATOM 530 CG2 ILE A 34 105.362 -10.905 -4.735 1.00 0.00 C ATOM 531 CD1 ILE A 34 107.509 -12.422 -6.165 1.00 0.00 C ATOM 0 H ILE A 34 109.069 -9.232 -4.098 1.00 0.00 H new ATOM 0 HA ILE A 34 107.157 -9.720 -6.407 1.00 0.00 H new ATOM 0 HB ILE A 34 106.978 -10.352 -3.415 1.00 0.00 H new ATOM 0 HG12 ILE A 34 108.702 -11.777 -4.479 1.00 0.00 H new ATOM 0 HG13 ILE A 34 107.300 -12.730 -4.033 1.00 0.00 H new ATOM 0 HG21 ILE A 34 105.004 -11.711 -4.094 1.00 0.00 H new ATOM 0 HG22 ILE A 34 104.792 -9.998 -4.530 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.232 -11.187 -5.780 1.00 0.00 H new ATOM 0 HD11 ILE A 34 108.085 -13.336 -6.308 1.00 0.00 H new ATOM 0 HD12 ILE A 34 106.459 -12.617 -6.384 1.00 0.00 H new ATOM 0 HD13 ILE A 34 107.883 -11.649 -6.837 1.00 0.00 H new ATOM 543 N LEU A 35 105.808 -7.717 -5.878 1.00 0.00 N ATOM 544 CA LEU A 35 105.182 -6.373 -5.679 1.00 0.00 C ATOM 545 C LEU A 35 103.657 -6.490 -5.713 1.00 0.00 C ATOM 546 O LEU A 35 103.086 -6.961 -6.679 1.00 0.00 O ATOM 547 CB LEU A 35 105.686 -5.538 -6.859 1.00 0.00 C ATOM 548 CG LEU A 35 105.220 -4.085 -6.711 1.00 0.00 C ATOM 549 CD1 LEU A 35 106.214 -3.313 -5.840 1.00 0.00 C ATOM 550 CD2 LEU A 35 105.144 -3.436 -8.094 1.00 0.00 C ATOM 0 H LEU A 35 105.509 -8.210 -6.720 1.00 0.00 H new ATOM 0 HA LEU A 35 105.440 -5.927 -4.718 1.00 0.00 H new ATOM 0 HB2 LEU A 35 106.774 -5.577 -6.904 1.00 0.00 H new ATOM 0 HB3 LEU A 35 105.314 -5.954 -7.795 1.00 0.00 H new ATOM 0 HG LEU A 35 104.237 -4.064 -6.241 1.00 0.00 H new ATOM 0 HD11 LEU A 35 105.881 -2.280 -5.736 1.00 0.00 H new ATOM 0 HD12 LEU A 35 106.271 -3.777 -4.855 1.00 0.00 H new ATOM 0 HD13 LEU A 35 107.198 -3.331 -6.308 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.813 -2.402 -7.993 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.129 -3.458 -8.561 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.436 -3.985 -8.715 1.00 0.00 H new ATOM 562 N GLN A 36 103.000 -6.063 -4.665 1.00 0.00 N ATOM 563 CA GLN A 36 101.509 -6.033 -4.670 1.00 0.00 C ATOM 564 C GLN A 36 101.020 -4.631 -5.032 1.00 0.00 C ATOM 565 O GLN A 36 101.442 -3.649 -4.445 1.00 0.00 O ATOM 566 CB GLN A 36 101.094 -6.398 -3.245 1.00 0.00 C ATOM 567 CG GLN A 36 101.282 -7.901 -3.028 1.00 0.00 C ATOM 568 CD GLN A 36 100.810 -8.278 -1.622 1.00 0.00 C ATOM 569 OE1 GLN A 36 101.689 -8.450 -0.675 1.00 0.00 O flip ATOM 570 NE2 GLN A 36 99.626 -8.418 -1.385 1.00 0.00 N flip ATOM 0 H GLN A 36 103.435 -5.733 -3.804 1.00 0.00 H new ATOM 0 HA GLN A 36 101.082 -6.721 -5.400 1.00 0.00 H new ATOM 0 HB2 GLN A 36 101.692 -5.838 -2.526 1.00 0.00 H new ATOM 0 HB3 GLN A 36 100.053 -6.123 -3.076 1.00 0.00 H new ATOM 0 HG2 GLN A 36 100.718 -8.460 -3.774 1.00 0.00 H new ATOM 0 HG3 GLN A 36 102.331 -8.169 -3.155 1.00 0.00 H new ATOM 0 HE21 GLN A 36 98.938 -8.283 -2.126 1.00 0.00 H new ATOM 0 HE22 GLN A 36 99.320 -8.670 -0.445 1.00 0.00 H new ATOM 579 N LEU A 37 100.137 -4.535 -5.995 1.00 0.00 N ATOM 580 CA LEU A 37 99.582 -3.203 -6.384 1.00 0.00 C ATOM 581 C LEU A 37 98.108 -3.117 -5.983 1.00 0.00 C ATOM 582 O LEU A 37 97.290 -3.900 -6.431 1.00 0.00 O ATOM 583 CB LEU A 37 99.721 -3.133 -7.909 1.00 0.00 C ATOM 584 CG LEU A 37 101.201 -3.168 -8.309 1.00 0.00 C ATOM 585 CD1 LEU A 37 101.311 -3.285 -9.832 1.00 0.00 C ATOM 586 CD2 LEU A 37 101.893 -1.881 -7.849 1.00 0.00 C ATOM 0 H LEU A 37 99.776 -5.325 -6.530 1.00 0.00 H new ATOM 0 HA LEU A 37 100.104 -2.382 -5.892 1.00 0.00 H new ATOM 0 HB2 LEU A 37 99.193 -3.969 -8.368 1.00 0.00 H new ATOM 0 HB3 LEU A 37 99.258 -2.220 -8.282 1.00 0.00 H new ATOM 0 HG LEU A 37 101.682 -4.025 -7.837 1.00 0.00 H new ATOM 0 HD11 LEU A 37 102.362 -3.310 -10.120 1.00 0.00 H new ATOM 0 HD12 LEU A 37 100.822 -4.201 -10.163 1.00 0.00 H new ATOM 0 HD13 LEU A 37 100.827 -2.427 -10.299 1.00 0.00 H new ATOM 0 HD21 LEU A 37 102.944 -1.911 -8.136 1.00 0.00 H new ATOM 0 HD22 LEU A 37 101.413 -1.022 -8.318 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.815 -1.793 -6.765 1.00 0.00 H new ATOM 598 N ARG A 38 97.769 -2.171 -5.144 1.00 0.00 N ATOM 599 CA ARG A 38 96.338 -1.986 -4.754 1.00 0.00 C ATOM 600 C ARG A 38 95.718 -0.854 -5.579 1.00 0.00 C ATOM 601 O ARG A 38 96.218 0.255 -5.598 1.00 0.00 O ATOM 602 CB ARG A 38 96.374 -1.620 -3.269 1.00 0.00 C ATOM 603 CG ARG A 38 94.946 -1.570 -2.715 1.00 0.00 C ATOM 604 CD ARG A 38 94.982 -1.123 -1.250 1.00 0.00 C ATOM 605 NE ARG A 38 93.567 -1.226 -0.768 1.00 0.00 N ATOM 606 CZ ARG A 38 93.169 -0.618 0.334 1.00 0.00 C ATOM 607 NH1 ARG A 38 93.995 0.099 1.063 1.00 0.00 N ATOM 608 NH2 ARG A 38 91.926 -0.733 0.711 1.00 0.00 N ATOM 0 H ARG A 38 98.422 -1.518 -4.712 1.00 0.00 H new ATOM 0 HA ARG A 38 95.737 -2.878 -4.933 1.00 0.00 H new ATOM 0 HB2 ARG A 38 96.963 -2.353 -2.718 1.00 0.00 H new ATOM 0 HB3 ARG A 38 96.861 -0.654 -3.134 1.00 0.00 H new ATOM 0 HG2 ARG A 38 94.341 -0.880 -3.302 1.00 0.00 H new ATOM 0 HG3 ARG A 38 94.479 -2.551 -2.796 1.00 0.00 H new ATOM 0 HD2 ARG A 38 95.645 -1.758 -0.662 1.00 0.00 H new ATOM 0 HD3 ARG A 38 95.355 -0.103 -1.160 1.00 0.00 H new ATOM 0 HE ARG A 38 92.897 -1.778 -1.303 1.00 0.00 H new ATOM 0 HH11 ARG A 38 94.971 0.196 0.782 1.00 0.00 H new ATOM 0 HH12 ARG A 38 93.660 0.558 1.910 1.00 0.00 H new ATOM 0 HH21 ARG A 38 91.274 -1.288 0.156 1.00 0.00 H new ATOM 0 HH22 ARG A 38 91.606 -0.268 1.561 1.00 0.00 H new ATOM 622 N LEU A 39 94.633 -1.131 -6.260 1.00 0.00 N ATOM 623 CA LEU A 39 94.044 -0.123 -7.190 1.00 0.00 C ATOM 624 C LEU A 39 92.826 0.559 -6.556 1.00 0.00 C ATOM 625 O LEU A 39 92.106 -0.036 -5.771 1.00 0.00 O ATOM 626 CB LEU A 39 93.644 -0.929 -8.431 1.00 0.00 C ATOM 627 CG LEU A 39 93.269 0.010 -9.588 1.00 0.00 C ATOM 628 CD1 LEU A 39 94.458 0.904 -9.957 1.00 0.00 C ATOM 629 CD2 LEU A 39 92.896 -0.831 -10.806 1.00 0.00 C ATOM 0 H LEU A 39 94.129 -2.017 -6.210 1.00 0.00 H new ATOM 0 HA LEU A 39 94.744 0.678 -7.430 1.00 0.00 H new ATOM 0 HB2 LEU A 39 94.468 -1.575 -8.733 1.00 0.00 H new ATOM 0 HB3 LEU A 39 92.801 -1.577 -8.194 1.00 0.00 H new ATOM 0 HG LEU A 39 92.431 0.635 -9.279 1.00 0.00 H new ATOM 0 HD11 LEU A 39 94.176 1.563 -10.778 1.00 0.00 H new ATOM 0 HD12 LEU A 39 94.745 1.503 -9.093 1.00 0.00 H new ATOM 0 HD13 LEU A 39 95.299 0.282 -10.263 1.00 0.00 H new ATOM 0 HD21 LEU A 39 92.628 -0.174 -11.633 1.00 0.00 H new ATOM 0 HD22 LEU A 39 93.745 -1.450 -11.095 1.00 0.00 H new ATOM 0 HD23 LEU A 39 92.048 -1.470 -10.561 1.00 0.00 H new ATOM 641 N ALA A 40 92.595 1.804 -6.904 1.00 0.00 N ATOM 642 CA ALA A 40 91.514 2.606 -6.237 1.00 0.00 C ATOM 643 C ALA A 40 90.116 2.023 -6.512 1.00 0.00 C ATOM 644 O ALA A 40 89.143 2.454 -5.921 1.00 0.00 O ATOM 645 CB ALA A 40 91.625 4.010 -6.837 1.00 0.00 C ATOM 0 H ALA A 40 93.112 2.304 -7.627 1.00 0.00 H new ATOM 0 HA ALA A 40 91.638 2.601 -5.154 1.00 0.00 H new ATOM 0 HB1 ALA A 40 90.865 4.655 -6.397 1.00 0.00 H new ATOM 0 HB2 ALA A 40 92.613 4.418 -6.627 1.00 0.00 H new ATOM 0 HB3 ALA A 40 91.476 3.958 -7.916 1.00 0.00 H new ATOM 651 N ASN A 41 90.002 1.055 -7.395 1.00 0.00 N ATOM 652 CA ASN A 41 88.675 0.396 -7.629 1.00 0.00 C ATOM 653 C ASN A 41 88.445 -0.754 -6.628 1.00 0.00 C ATOM 654 O ASN A 41 87.777 -1.721 -6.944 1.00 0.00 O ATOM 655 CB ASN A 41 88.755 -0.154 -9.056 1.00 0.00 C ATOM 656 CG ASN A 41 87.348 -0.490 -9.553 1.00 0.00 C ATOM 657 OD1 ASN A 41 86.500 0.375 -9.641 1.00 0.00 O ATOM 658 ND2 ASN A 41 87.063 -1.720 -9.885 1.00 0.00 N ATOM 0 H ASN A 41 90.769 0.694 -7.962 1.00 0.00 H new ATOM 0 HA ASN A 41 87.849 1.094 -7.496 1.00 0.00 H new ATOM 0 HB2 ASN A 41 89.219 0.580 -9.715 1.00 0.00 H new ATOM 0 HB3 ASN A 41 89.383 -1.045 -9.079 1.00 0.00 H new ATOM 0 HD21 ASN A 41 86.128 -1.955 -10.218 1.00 0.00 H new ATOM 0 HD22 ASN A 41 87.775 -2.446 -9.811 1.00 0.00 H new ATOM 665 N ASP A 42 88.988 -0.664 -5.421 1.00 0.00 N ATOM 666 CA ASP A 42 88.750 -1.722 -4.379 1.00 0.00 C ATOM 667 C ASP A 42 89.270 -3.083 -4.862 1.00 0.00 C ATOM 668 O ASP A 42 88.772 -4.117 -4.457 1.00 0.00 O ATOM 669 CB ASP A 42 87.229 -1.775 -4.166 1.00 0.00 C ATOM 670 CG ASP A 42 86.923 -2.500 -2.854 1.00 0.00 C ATOM 671 OD1 ASP A 42 86.968 -1.856 -1.820 1.00 0.00 O ATOM 672 OD2 ASP A 42 86.646 -3.687 -2.908 1.00 0.00 O ATOM 0 H ASP A 42 89.588 0.103 -5.118 1.00 0.00 H new ATOM 0 HA ASP A 42 89.275 -1.490 -3.453 1.00 0.00 H new ATOM 0 HB2 ASP A 42 86.819 -0.765 -4.140 1.00 0.00 H new ATOM 0 HB3 ASP A 42 86.752 -2.291 -4.999 1.00 0.00 H new ATOM 677 N SER A 43 90.266 -3.092 -5.725 1.00 0.00 N ATOM 678 CA SER A 43 90.839 -4.388 -6.198 1.00 0.00 C ATOM 679 C SER A 43 92.332 -4.455 -5.867 1.00 0.00 C ATOM 680 O SER A 43 93.049 -3.482 -6.007 1.00 0.00 O ATOM 681 CB SER A 43 90.624 -4.389 -7.712 1.00 0.00 C ATOM 682 OG SER A 43 89.230 -4.339 -7.986 1.00 0.00 O ATOM 0 H SER A 43 90.702 -2.257 -6.118 1.00 0.00 H new ATOM 0 HA SER A 43 90.368 -5.247 -5.721 1.00 0.00 H new ATOM 0 HB2 SER A 43 91.126 -3.533 -8.163 1.00 0.00 H new ATOM 0 HB3 SER A 43 91.062 -5.285 -8.153 1.00 0.00 H new ATOM 0 HG SER A 43 88.888 -3.444 -7.779 1.00 0.00 H new ATOM 688 N THR A 44 92.801 -5.598 -5.429 1.00 0.00 N ATOM 689 CA THR A 44 94.252 -5.746 -5.092 1.00 0.00 C ATOM 690 C THR A 44 94.817 -7.019 -5.732 1.00 0.00 C ATOM 691 O THR A 44 94.167 -8.048 -5.759 1.00 0.00 O ATOM 692 CB THR A 44 94.309 -5.821 -3.555 1.00 0.00 C ATOM 693 OG1 THR A 44 95.664 -5.933 -3.142 1.00 0.00 O ATOM 694 CG2 THR A 44 93.515 -7.030 -3.033 1.00 0.00 C ATOM 0 H THR A 44 92.239 -6.438 -5.290 1.00 0.00 H new ATOM 0 HA THR A 44 94.851 -4.917 -5.470 1.00 0.00 H new ATOM 0 HB THR A 44 93.864 -4.914 -3.146 1.00 0.00 H new ATOM 0 HG1 THR A 44 95.705 -5.979 -2.164 1.00 0.00 H new ATOM 0 HG21 THR A 44 93.571 -7.060 -1.945 1.00 0.00 H new ATOM 0 HG22 THR A 44 92.473 -6.941 -3.340 1.00 0.00 H new ATOM 0 HG23 THR A 44 93.937 -7.947 -3.443 1.00 0.00 H new ATOM 702 N LYS A 45 96.022 -6.951 -6.244 1.00 0.00 N ATOM 703 CA LYS A 45 96.623 -8.142 -6.919 1.00 0.00 C ATOM 704 C LYS A 45 98.128 -8.207 -6.644 1.00 0.00 C ATOM 705 O LYS A 45 98.802 -7.194 -6.606 1.00 0.00 O ATOM 706 CB LYS A 45 96.355 -7.931 -8.410 1.00 0.00 C ATOM 707 CG LYS A 45 96.712 -9.206 -9.179 1.00 0.00 C ATOM 708 CD LYS A 45 96.259 -9.069 -10.634 1.00 0.00 C ATOM 709 CE LYS A 45 97.175 -8.085 -11.366 1.00 0.00 C ATOM 710 NZ LYS A 45 96.713 -8.110 -12.782 1.00 0.00 N ATOM 0 H LYS A 45 96.615 -6.121 -6.223 1.00 0.00 H new ATOM 0 HA LYS A 45 96.197 -9.078 -6.558 1.00 0.00 H new ATOM 0 HB2 LYS A 45 95.307 -7.679 -8.570 1.00 0.00 H new ATOM 0 HB3 LYS A 45 96.945 -7.093 -8.781 1.00 0.00 H new ATOM 0 HG2 LYS A 45 97.787 -9.380 -9.137 1.00 0.00 H new ATOM 0 HG3 LYS A 45 96.231 -10.068 -8.717 1.00 0.00 H new ATOM 0 HD2 LYS A 45 96.285 -10.041 -11.127 1.00 0.00 H new ATOM 0 HD3 LYS A 45 95.227 -8.719 -10.673 1.00 0.00 H new ATOM 0 HE2 LYS A 45 97.097 -7.084 -10.943 1.00 0.00 H new ATOM 0 HE3 LYS A 45 98.220 -8.384 -11.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 97.294 -7.459 -13.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 96.805 -9.074 -13.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 95.717 -7.814 -12.827 1.00 0.00 H new ATOM 724 N SER A 46 98.654 -9.393 -6.454 1.00 0.00 N ATOM 725 CA SER A 46 100.122 -9.542 -6.217 1.00 0.00 C ATOM 726 C SER A 46 100.827 -9.930 -7.519 1.00 0.00 C ATOM 727 O SER A 46 100.467 -10.899 -8.162 1.00 0.00 O ATOM 728 CB SER A 46 100.246 -10.662 -5.185 1.00 0.00 C ATOM 729 OG SER A 46 99.827 -11.889 -5.770 1.00 0.00 O ATOM 0 H SER A 46 98.127 -10.266 -6.453 1.00 0.00 H new ATOM 0 HA SER A 46 100.582 -8.617 -5.869 1.00 0.00 H new ATOM 0 HB2 SER A 46 101.277 -10.743 -4.842 1.00 0.00 H new ATOM 0 HB3 SER A 46 99.636 -10.436 -4.311 1.00 0.00 H new ATOM 0 HG SER A 46 99.639 -11.750 -6.722 1.00 0.00 H new ATOM 735 N ILE A 47 101.828 -9.178 -7.910 1.00 0.00 N ATOM 736 CA ILE A 47 102.561 -9.487 -9.177 1.00 0.00 C ATOM 737 C ILE A 47 104.067 -9.525 -8.900 1.00 0.00 C ATOM 738 O ILE A 47 104.605 -8.647 -8.251 1.00 0.00 O ATOM 739 CB ILE A 47 102.211 -8.342 -10.144 1.00 0.00 C ATOM 740 CG1 ILE A 47 100.692 -8.287 -10.363 1.00 0.00 C ATOM 741 CG2 ILE A 47 102.899 -8.574 -11.494 1.00 0.00 C ATOM 742 CD1 ILE A 47 100.322 -6.986 -11.080 1.00 0.00 C ATOM 0 H ILE A 47 102.169 -8.361 -7.404 1.00 0.00 H new ATOM 0 HA ILE A 47 102.283 -10.455 -9.595 1.00 0.00 H new ATOM 0 HB ILE A 47 102.553 -7.402 -9.712 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.369 -9.144 -10.954 1.00 0.00 H new ATOM 0 HG13 ILE A 47 100.174 -8.346 -9.406 1.00 0.00 H new ATOM 0 HG21 ILE A 47 102.648 -7.761 -12.175 1.00 0.00 H new ATOM 0 HG22 ILE A 47 103.979 -8.607 -11.351 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.560 -9.519 -11.917 1.00 0.00 H new ATOM 0 HD11 ILE A 47 99.244 -6.950 -11.234 1.00 0.00 H new ATOM 0 HD12 ILE A 47 100.631 -6.135 -10.472 1.00 0.00 H new ATOM 0 HD13 ILE A 47 100.828 -6.946 -12.045 1.00 0.00 H new ATOM 754 N VAL A 48 104.747 -10.533 -9.389 1.00 0.00 N ATOM 755 CA VAL A 48 106.228 -10.609 -9.183 1.00 0.00 C ATOM 756 C VAL A 48 106.924 -9.655 -10.159 1.00 0.00 C ATOM 757 O VAL A 48 106.572 -9.580 -11.319 1.00 0.00 O ATOM 758 CB VAL A 48 106.625 -12.070 -9.463 1.00 0.00 C ATOM 759 CG1 VAL A 48 108.117 -12.267 -9.159 1.00 0.00 C ATOM 760 CG2 VAL A 48 105.786 -13.028 -8.595 1.00 0.00 C ATOM 0 H VAL A 48 104.343 -11.304 -9.920 1.00 0.00 H new ATOM 0 HA VAL A 48 106.520 -10.318 -8.174 1.00 0.00 H new ATOM 0 HB VAL A 48 106.436 -12.292 -10.513 1.00 0.00 H new ATOM 0 HG11 VAL A 48 108.395 -13.302 -9.358 1.00 0.00 H new ATOM 0 HG12 VAL A 48 108.708 -11.604 -9.791 1.00 0.00 H new ATOM 0 HG13 VAL A 48 108.309 -12.035 -8.111 1.00 0.00 H new ATOM 0 HG21 VAL A 48 106.077 -14.057 -8.803 1.00 0.00 H new ATOM 0 HG22 VAL A 48 105.957 -12.809 -7.541 1.00 0.00 H new ATOM 0 HG23 VAL A 48 104.729 -12.896 -8.826 1.00 0.00 H new ATOM 770 N THR A 49 107.908 -8.930 -9.692 1.00 0.00 N ATOM 771 CA THR A 49 108.532 -7.857 -10.535 1.00 0.00 C ATOM 772 C THR A 49 109.220 -8.447 -11.771 1.00 0.00 C ATOM 773 O THR A 49 109.389 -7.771 -12.770 1.00 0.00 O ATOM 774 CB THR A 49 109.556 -7.158 -9.633 1.00 0.00 C ATOM 775 OG1 THR A 49 110.490 -8.114 -9.153 1.00 0.00 O ATOM 776 CG2 THR A 49 108.841 -6.499 -8.451 1.00 0.00 C ATOM 0 H THR A 49 108.310 -9.033 -8.760 1.00 0.00 H new ATOM 0 HA THR A 49 107.777 -7.163 -10.905 1.00 0.00 H new ATOM 0 HB THR A 49 110.079 -6.392 -10.205 1.00 0.00 H new ATOM 0 HG1 THR A 49 110.105 -8.593 -8.389 1.00 0.00 H new ATOM 0 HG21 THR A 49 109.573 -6.004 -7.813 1.00 0.00 H new ATOM 0 HG22 THR A 49 108.127 -5.764 -8.822 1.00 0.00 H new ATOM 0 HG23 THR A 49 108.313 -7.259 -7.875 1.00 0.00 H new ATOM 784 N LYS A 50 109.623 -9.694 -11.718 1.00 0.00 N ATOM 785 CA LYS A 50 110.391 -10.292 -12.862 1.00 0.00 C ATOM 786 C LYS A 50 109.592 -10.204 -14.168 1.00 0.00 C ATOM 787 O LYS A 50 110.160 -10.196 -15.246 1.00 0.00 O ATOM 788 CB LYS A 50 110.630 -11.756 -12.475 1.00 0.00 C ATOM 789 CG LYS A 50 111.620 -12.389 -13.456 1.00 0.00 C ATOM 790 CD LYS A 50 113.031 -11.880 -13.158 1.00 0.00 C ATOM 791 CE LYS A 50 114.033 -12.582 -14.078 1.00 0.00 C ATOM 792 NZ LYS A 50 115.365 -12.321 -13.464 1.00 0.00 N ATOM 0 H LYS A 50 109.455 -10.325 -10.934 1.00 0.00 H new ATOM 0 HA LYS A 50 111.326 -9.759 -13.035 1.00 0.00 H new ATOM 0 HB2 LYS A 50 111.020 -11.815 -11.459 1.00 0.00 H new ATOM 0 HB3 LYS A 50 109.688 -12.305 -12.487 1.00 0.00 H new ATOM 0 HG2 LYS A 50 111.588 -13.475 -13.371 1.00 0.00 H new ATOM 0 HG3 LYS A 50 111.342 -12.141 -14.480 1.00 0.00 H new ATOM 0 HD2 LYS A 50 113.079 -10.801 -13.307 1.00 0.00 H new ATOM 0 HD3 LYS A 50 113.284 -12.069 -12.115 1.00 0.00 H new ATOM 0 HE2 LYS A 50 113.830 -13.651 -14.141 1.00 0.00 H new ATOM 0 HE3 LYS A 50 113.981 -12.187 -15.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 116.106 -12.771 -14.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 115.534 -11.296 -13.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 115.386 -12.714 -12.501 1.00 0.00 H new ATOM 806 N ASP A 51 108.285 -10.139 -14.081 1.00 0.00 N ATOM 807 CA ASP A 51 107.462 -9.963 -15.321 1.00 0.00 C ATOM 808 C ASP A 51 107.298 -8.473 -15.678 1.00 0.00 C ATOM 809 O ASP A 51 106.525 -8.132 -16.555 1.00 0.00 O ATOM 810 CB ASP A 51 106.101 -10.621 -15.027 1.00 0.00 C ATOM 811 CG ASP A 51 105.415 -9.965 -13.820 1.00 0.00 C ATOM 812 OD1 ASP A 51 105.327 -8.748 -13.792 1.00 0.00 O ATOM 813 OD2 ASP A 51 104.982 -10.696 -12.945 1.00 0.00 O ATOM 0 H ASP A 51 107.755 -10.200 -13.212 1.00 0.00 H new ATOM 0 HA ASP A 51 107.945 -10.425 -16.182 1.00 0.00 H new ATOM 0 HB2 ASP A 51 105.458 -10.539 -15.903 1.00 0.00 H new ATOM 0 HB3 ASP A 51 106.243 -11.684 -14.834 1.00 0.00 H new ATOM 818 N ILE A 52 108.011 -7.585 -15.014 1.00 0.00 N ATOM 819 CA ILE A 52 107.974 -6.139 -15.415 1.00 0.00 C ATOM 820 C ILE A 52 108.871 -5.915 -16.637 1.00 0.00 C ATOM 821 O ILE A 52 110.080 -6.041 -16.557 1.00 0.00 O ATOM 822 CB ILE A 52 108.508 -5.355 -14.198 1.00 0.00 C ATOM 823 CG1 ILE A 52 107.558 -5.551 -13.004 1.00 0.00 C ATOM 824 CG2 ILE A 52 108.615 -3.854 -14.540 1.00 0.00 C ATOM 825 CD1 ILE A 52 108.141 -4.872 -11.757 1.00 0.00 C ATOM 0 H ILE A 52 108.612 -7.799 -14.218 1.00 0.00 H new ATOM 0 HA ILE A 52 106.970 -5.814 -15.686 1.00 0.00 H new ATOM 0 HB ILE A 52 109.499 -5.728 -13.939 1.00 0.00 H new ATOM 0 HG12 ILE A 52 106.579 -5.130 -13.234 1.00 0.00 H new ATOM 0 HG13 ILE A 52 107.412 -6.614 -12.815 1.00 0.00 H new ATOM 0 HG21 ILE A 52 108.993 -3.310 -13.675 1.00 0.00 H new ATOM 0 HG22 ILE A 52 109.297 -3.720 -15.379 1.00 0.00 H new ATOM 0 HG23 ILE A 52 107.630 -3.471 -14.808 1.00 0.00 H new ATOM 0 HD11 ILE A 52 107.464 -5.014 -10.915 1.00 0.00 H new ATOM 0 HD12 ILE A 52 109.110 -5.313 -11.522 1.00 0.00 H new ATOM 0 HD13 ILE A 52 108.264 -3.806 -11.947 1.00 0.00 H new ATOM 837 N LYS A 53 108.284 -5.588 -17.762 1.00 0.00 N ATOM 838 CA LYS A 53 109.108 -5.179 -18.944 1.00 0.00 C ATOM 839 C LYS A 53 109.442 -3.687 -18.868 1.00 0.00 C ATOM 840 O LYS A 53 110.531 -3.272 -19.222 1.00 0.00 O ATOM 841 CB LYS A 53 108.244 -5.463 -20.169 1.00 0.00 C ATOM 842 CG LYS A 53 109.123 -5.485 -21.420 1.00 0.00 C ATOM 843 CD LYS A 53 108.239 -5.591 -22.665 1.00 0.00 C ATOM 844 CE LYS A 53 109.121 -5.724 -23.908 1.00 0.00 C ATOM 845 NZ LYS A 53 108.192 -6.147 -24.994 1.00 0.00 N ATOM 0 H LYS A 53 107.275 -5.586 -17.914 1.00 0.00 H new ATOM 0 HA LYS A 53 110.053 -5.721 -18.982 1.00 0.00 H new ATOM 0 HB2 LYS A 53 107.734 -6.419 -20.053 1.00 0.00 H new ATOM 0 HB3 LYS A 53 107.472 -4.700 -20.267 1.00 0.00 H new ATOM 0 HG2 LYS A 53 109.729 -4.580 -21.467 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.812 -6.328 -21.378 1.00 0.00 H new ATOM 0 HD2 LYS A 53 107.577 -6.453 -22.582 1.00 0.00 H new ATOM 0 HD3 LYS A 53 107.604 -4.709 -22.749 1.00 0.00 H new ATOM 0 HE2 LYS A 53 109.608 -4.779 -24.150 1.00 0.00 H new ATOM 0 HE3 LYS A 53 109.911 -6.459 -23.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 108.641 -5.984 -25.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 107.973 -7.158 -24.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 107.313 -5.594 -24.934 1.00 0.00 H new ATOM 859 N ASP A 54 108.514 -2.880 -18.409 1.00 0.00 N ATOM 860 CA ASP A 54 108.741 -1.394 -18.413 1.00 0.00 C ATOM 861 C ASP A 54 107.989 -0.723 -17.261 1.00 0.00 C ATOM 862 O ASP A 54 106.910 -1.141 -16.892 1.00 0.00 O ATOM 863 CB ASP A 54 108.196 -0.899 -19.755 1.00 0.00 C ATOM 864 CG ASP A 54 109.061 -1.435 -20.896 1.00 0.00 C ATOM 865 OD1 ASP A 54 108.756 -2.508 -21.389 1.00 0.00 O ATOM 866 OD2 ASP A 54 110.014 -0.764 -21.258 1.00 0.00 O ATOM 0 H ASP A 54 107.615 -3.181 -18.034 1.00 0.00 H new ATOM 0 HA ASP A 54 109.797 -1.154 -18.285 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.165 -1.228 -19.883 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.187 0.191 -19.774 1.00 0.00 H new ATOM 871 N LEU A 55 108.554 0.321 -16.700 1.00 0.00 N ATOM 872 CA LEU A 55 107.925 0.984 -15.513 1.00 0.00 C ATOM 873 C LEU A 55 107.777 2.493 -15.742 1.00 0.00 C ATOM 874 O LEU A 55 108.619 3.119 -16.359 1.00 0.00 O ATOM 875 CB LEU A 55 108.893 0.729 -14.356 1.00 0.00 C ATOM 876 CG LEU A 55 108.762 -0.718 -13.877 1.00 0.00 C ATOM 877 CD1 LEU A 55 110.072 -1.164 -13.227 1.00 0.00 C ATOM 878 CD2 LEU A 55 107.629 -0.814 -12.852 1.00 0.00 C ATOM 0 H LEU A 55 109.427 0.744 -17.015 1.00 0.00 H new ATOM 0 HA LEU A 55 106.926 0.592 -15.319 1.00 0.00 H new ATOM 0 HB2 LEU A 55 109.916 0.924 -14.677 1.00 0.00 H new ATOM 0 HB3 LEU A 55 108.681 1.414 -13.535 1.00 0.00 H new ATOM 0 HG LEU A 55 108.542 -1.362 -14.728 1.00 0.00 H new ATOM 0 HD11 LEU A 55 109.977 -2.195 -12.886 1.00 0.00 H new ATOM 0 HD12 LEU A 55 110.881 -1.095 -13.954 1.00 0.00 H new ATOM 0 HD13 LEU A 55 110.294 -0.520 -12.376 1.00 0.00 H new ATOM 0 HD21 LEU A 55 107.534 -1.845 -12.510 1.00 0.00 H new ATOM 0 HD22 LEU A 55 107.851 -0.168 -12.002 1.00 0.00 H new ATOM 0 HD23 LEU A 55 106.693 -0.498 -13.313 1.00 0.00 H new ATOM 890 N ARG A 56 106.711 3.074 -15.246 1.00 0.00 N ATOM 891 CA ARG A 56 106.583 4.565 -15.255 1.00 0.00 C ATOM 892 C ARG A 56 105.790 5.029 -14.023 1.00 0.00 C ATOM 893 O ARG A 56 105.056 4.262 -13.427 1.00 0.00 O ATOM 894 CB ARG A 56 105.844 4.902 -16.564 1.00 0.00 C ATOM 895 CG ARG A 56 104.368 4.474 -16.484 1.00 0.00 C ATOM 896 CD ARG A 56 103.855 4.091 -17.876 1.00 0.00 C ATOM 897 NE ARG A 56 103.937 5.344 -18.695 1.00 0.00 N ATOM 898 CZ ARG A 56 103.883 5.309 -20.013 1.00 0.00 C ATOM 899 NH1 ARG A 56 103.751 4.178 -20.668 1.00 0.00 N ATOM 900 NH2 ARG A 56 103.961 6.425 -20.683 1.00 0.00 N ATOM 0 H ARG A 56 105.921 2.577 -14.834 1.00 0.00 H new ATOM 0 HA ARG A 56 107.548 5.069 -15.210 1.00 0.00 H new ATOM 0 HB2 ARG A 56 105.907 5.973 -16.757 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.329 4.398 -17.400 1.00 0.00 H new ATOM 0 HG2 ARG A 56 104.263 3.629 -15.804 1.00 0.00 H new ATOM 0 HG3 ARG A 56 103.767 5.287 -16.077 1.00 0.00 H new ATOM 0 HD2 ARG A 56 104.461 3.297 -18.312 1.00 0.00 H new ATOM 0 HD3 ARG A 56 102.831 3.720 -17.828 1.00 0.00 H new ATOM 0 HE ARG A 56 104.037 6.243 -18.223 1.00 0.00 H new ATOM 0 HH11 ARG A 56 103.687 3.297 -20.157 1.00 0.00 H new ATOM 0 HH12 ARG A 56 103.712 4.180 -21.687 1.00 0.00 H new ATOM 0 HH21 ARG A 56 104.062 7.311 -20.188 1.00 0.00 H new ATOM 0 HH22 ARG A 56 103.921 6.412 -21.702 1.00 0.00 H new ATOM 914 N ILE A 57 105.935 6.275 -13.642 1.00 0.00 N ATOM 915 CA ILE A 57 105.128 6.818 -12.503 1.00 0.00 C ATOM 916 C ILE A 57 104.160 7.885 -13.027 1.00 0.00 C ATOM 917 O ILE A 57 104.553 8.791 -13.740 1.00 0.00 O ATOM 918 CB ILE A 57 106.148 7.427 -11.525 1.00 0.00 C ATOM 919 CG1 ILE A 57 107.141 6.345 -11.069 1.00 0.00 C ATOM 920 CG2 ILE A 57 105.415 7.982 -10.299 1.00 0.00 C ATOM 921 CD1 ILE A 57 108.287 6.988 -10.281 1.00 0.00 C ATOM 0 H ILE A 57 106.578 6.941 -14.071 1.00 0.00 H new ATOM 0 HA ILE A 57 104.528 6.051 -12.012 1.00 0.00 H new ATOM 0 HB ILE A 57 106.688 8.230 -12.027 1.00 0.00 H new ATOM 0 HG12 ILE A 57 106.630 5.608 -10.449 1.00 0.00 H new ATOM 0 HG13 ILE A 57 107.536 5.814 -11.935 1.00 0.00 H new ATOM 0 HG21 ILE A 57 106.138 8.413 -9.607 1.00 0.00 H new ATOM 0 HG22 ILE A 57 104.711 8.752 -10.614 1.00 0.00 H new ATOM 0 HG23 ILE A 57 104.874 7.176 -9.803 1.00 0.00 H new ATOM 0 HD11 ILE A 57 108.987 6.216 -9.961 1.00 0.00 H new ATOM 0 HD12 ILE A 57 108.805 7.708 -10.915 1.00 0.00 H new ATOM 0 HD13 ILE A 57 107.885 7.499 -9.406 1.00 0.00 H new ATOM 933 N LEU A 58 102.900 7.782 -12.677 1.00 0.00 N ATOM 934 CA LEU A 58 101.874 8.701 -13.265 1.00 0.00 C ATOM 935 C LEU A 58 101.733 9.963 -12.397 1.00 0.00 C ATOM 936 O LEU A 58 101.949 9.904 -11.200 1.00 0.00 O ATOM 937 CB LEU A 58 100.563 7.904 -13.267 1.00 0.00 C ATOM 938 CG LEU A 58 100.710 6.645 -14.131 1.00 0.00 C ATOM 939 CD1 LEU A 58 99.558 5.684 -13.830 1.00 0.00 C ATOM 940 CD2 LEU A 58 100.680 7.027 -15.611 1.00 0.00 C ATOM 0 H LEU A 58 102.538 7.101 -12.009 1.00 0.00 H new ATOM 0 HA LEU A 58 102.148 9.029 -14.268 1.00 0.00 H new ATOM 0 HB2 LEU A 58 100.297 7.625 -12.247 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.752 8.524 -13.650 1.00 0.00 H new ATOM 0 HG LEU A 58 101.660 6.161 -13.903 1.00 0.00 H new ATOM 0 HD11 LEU A 58 99.661 4.789 -14.443 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.582 5.407 -12.776 1.00 0.00 H new ATOM 0 HD13 LEU A 58 98.609 6.171 -14.056 1.00 0.00 H new ATOM 0 HD21 LEU A 58 100.785 6.130 -16.221 1.00 0.00 H new ATOM 0 HD22 LEU A 58 99.733 7.514 -15.842 1.00 0.00 H new ATOM 0 HD23 LEU A 58 101.501 7.710 -15.827 1.00 0.00 H new