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 27 ASN : amide:sc= 0 X(o=-0.14,f=-0.14) USER MOD Set 1.2: A 36 GLN : amide:sc= -0.143 K(o=-0.14,f=-4.5!) USER MOD Set 2.1: A 17 ASN : amide:sc= 0.254 K(o=1.3,f=-7.7!) USER MOD Set 2.2: A 19 SER OG : rot -65:sc= 1.03 USER MOD Single : A 9 SER OG : rot 180:sc= -1.9! USER MOD Single : A 10 ASN : amide:sc= -4.47! C(o=-4.5!,f=-5.5!) USER MOD Single : A 16 ASN : amide:sc= -1.15 K(o=-1.1,f=-4.3!) USER MOD Single : A 20 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.0922) USER MOD Single : A 26 THR OG1 : rot -63:sc= 0.713 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=-0.79) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.249 K(o=-0.25,f=-1.2) USER MOD Single : A 43 SER OG : rot 180:sc= 0 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 12:sc= 0.974 USER MOD Single : A 49 THR OG1 : rot -81:sc= 0.184 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 130:sc= 1.21 (180deg=0.711) USER MOD ----------------------------------------------------------------- ATOM 151 N GLY A 8 102.649 3.106 -1.500 1.00 0.00 N ATOM 152 CA GLY A 8 101.463 4.013 -1.560 1.00 0.00 C ATOM 153 C GLY A 8 101.539 4.928 -2.794 1.00 0.00 C ATOM 154 O GLY A 8 100.670 5.756 -3.001 1.00 0.00 O ATOM 0 HA2 GLY A 8 100.548 3.421 -1.596 1.00 0.00 H new ATOM 0 HA3 GLY A 8 101.416 4.618 -0.655 1.00 0.00 H new ATOM 158 N SER A 9 102.561 4.794 -3.615 1.00 0.00 N ATOM 159 CA SER A 9 102.665 5.659 -4.832 1.00 0.00 C ATOM 160 C SER A 9 101.905 5.018 -5.997 1.00 0.00 C ATOM 161 O SER A 9 101.806 3.810 -6.089 1.00 0.00 O ATOM 162 CB SER A 9 104.161 5.743 -5.142 1.00 0.00 C ATOM 163 OG SER A 9 104.615 4.487 -5.630 1.00 0.00 O ATOM 0 H SER A 9 103.322 4.125 -3.492 1.00 0.00 H new ATOM 0 HA SER A 9 102.233 6.647 -4.674 1.00 0.00 H new ATOM 0 HB2 SER A 9 104.347 6.521 -5.882 1.00 0.00 H new ATOM 0 HB3 SER A 9 104.714 6.018 -4.244 1.00 0.00 H new ATOM 0 HG SER A 9 105.573 4.541 -5.830 1.00 0.00 H new ATOM 169 N ASN A 10 101.372 5.820 -6.885 1.00 0.00 N ATOM 170 CA ASN A 10 100.641 5.262 -8.065 1.00 0.00 C ATOM 171 C ASN A 10 101.580 5.183 -9.270 1.00 0.00 C ATOM 172 O ASN A 10 102.036 6.191 -9.781 1.00 0.00 O ATOM 173 CB ASN A 10 99.504 6.249 -8.339 1.00 0.00 C ATOM 174 CG ASN A 10 98.509 6.226 -7.178 1.00 0.00 C ATOM 175 OD1 ASN A 10 98.860 6.538 -6.057 1.00 0.00 O ATOM 176 ND2 ASN A 10 97.274 5.868 -7.400 1.00 0.00 N ATOM 0 H ASN A 10 101.411 6.838 -6.844 1.00 0.00 H new ATOM 0 HA ASN A 10 100.266 4.255 -7.880 1.00 0.00 H new ATOM 0 HB2 ASN A 10 99.905 7.254 -8.466 1.00 0.00 H new ATOM 0 HB3 ASN A 10 98.999 5.987 -9.269 1.00 0.00 H new ATOM 0 HD21 ASN A 10 96.602 5.850 -6.632 1.00 0.00 H new ATOM 0 HD22 ASN A 10 96.980 5.606 -8.341 1.00 0.00 H new ATOM 183 N VAL A 11 101.867 3.990 -9.723 1.00 0.00 N ATOM 184 CA VAL A 11 102.751 3.821 -10.919 1.00 0.00 C ATOM 185 C VAL A 11 102.090 2.867 -11.917 1.00 0.00 C ATOM 186 O VAL A 11 101.219 2.097 -11.558 1.00 0.00 O ATOM 187 CB VAL A 11 104.068 3.229 -10.385 1.00 0.00 C ATOM 188 CG1 VAL A 11 104.731 4.230 -9.436 1.00 0.00 C ATOM 189 CG2 VAL A 11 103.802 1.919 -9.628 1.00 0.00 C ATOM 0 H VAL A 11 101.526 3.120 -9.315 1.00 0.00 H new ATOM 0 HA VAL A 11 102.927 4.763 -11.439 1.00 0.00 H new ATOM 0 HB VAL A 11 104.725 3.024 -11.230 1.00 0.00 H new ATOM 0 HG11 VAL A 11 105.663 3.810 -9.058 1.00 0.00 H new ATOM 0 HG12 VAL A 11 104.941 5.156 -9.972 1.00 0.00 H new ATOM 0 HG13 VAL A 11 104.062 4.438 -8.601 1.00 0.00 H new ATOM 0 HG21 VAL A 11 104.744 1.515 -9.258 1.00 0.00 H new ATOM 0 HG22 VAL A 11 103.135 2.113 -8.788 1.00 0.00 H new ATOM 0 HG23 VAL A 11 103.337 1.198 -10.301 1.00 0.00 H new ATOM 199 N GLU A 12 102.494 2.912 -13.164 1.00 0.00 N ATOM 200 CA GLU A 12 101.995 1.909 -14.149 1.00 0.00 C ATOM 201 C GLU A 12 103.175 1.101 -14.695 1.00 0.00 C ATOM 202 O GLU A 12 104.267 1.612 -14.845 1.00 0.00 O ATOM 203 CB GLU A 12 101.329 2.736 -15.256 1.00 0.00 C ATOM 204 CG GLU A 12 100.757 1.807 -16.334 1.00 0.00 C ATOM 205 CD GLU A 12 100.120 2.645 -17.444 1.00 0.00 C ATOM 206 OE1 GLU A 12 99.140 3.315 -17.165 1.00 0.00 O ATOM 207 OE2 GLU A 12 100.624 2.601 -18.555 1.00 0.00 O ATOM 0 H GLU A 12 103.147 3.600 -13.539 1.00 0.00 H new ATOM 0 HA GLU A 12 101.295 1.196 -13.713 1.00 0.00 H new ATOM 0 HB2 GLU A 12 100.533 3.350 -14.834 1.00 0.00 H new ATOM 0 HB3 GLU A 12 102.055 3.417 -15.699 1.00 0.00 H new ATOM 0 HG2 GLU A 12 101.548 1.180 -16.746 1.00 0.00 H new ATOM 0 HG3 GLU A 12 100.015 1.139 -15.897 1.00 0.00 H new ATOM 214 N VAL A 13 102.959 -0.155 -14.985 1.00 0.00 N ATOM 215 CA VAL A 13 104.058 -1.002 -15.536 1.00 0.00 C ATOM 216 C VAL A 13 103.547 -1.799 -16.738 1.00 0.00 C ATOM 217 O VAL A 13 102.416 -2.251 -16.748 1.00 0.00 O ATOM 218 CB VAL A 13 104.468 -1.938 -14.383 1.00 0.00 C ATOM 219 CG1 VAL A 13 103.324 -2.899 -14.030 1.00 0.00 C ATOM 220 CG2 VAL A 13 105.689 -2.757 -14.800 1.00 0.00 C ATOM 0 H VAL A 13 102.066 -0.632 -14.864 1.00 0.00 H new ATOM 0 HA VAL A 13 104.905 -0.411 -15.885 1.00 0.00 H new ATOM 0 HB VAL A 13 104.702 -1.327 -13.511 1.00 0.00 H new ATOM 0 HG11 VAL A 13 103.635 -3.551 -13.214 1.00 0.00 H new ATOM 0 HG12 VAL A 13 102.449 -2.326 -13.724 1.00 0.00 H new ATOM 0 HG13 VAL A 13 103.075 -3.504 -14.902 1.00 0.00 H new ATOM 0 HG21 VAL A 13 105.979 -3.419 -13.984 1.00 0.00 H new ATOM 0 HG22 VAL A 13 105.445 -3.351 -15.680 1.00 0.00 H new ATOM 0 HG23 VAL A 13 106.515 -2.085 -15.033 1.00 0.00 H new ATOM 230 N LEU A 14 104.364 -1.972 -17.746 1.00 0.00 N ATOM 231 CA LEU A 14 104.007 -2.956 -18.810 1.00 0.00 C ATOM 232 C LEU A 14 104.632 -4.301 -18.477 1.00 0.00 C ATOM 233 O LEU A 14 105.783 -4.376 -18.086 1.00 0.00 O ATOM 234 CB LEU A 14 104.586 -2.443 -20.135 1.00 0.00 C ATOM 235 CG LEU A 14 104.111 -1.015 -20.483 1.00 0.00 C ATOM 236 CD1 LEU A 14 104.067 -0.878 -22.005 1.00 0.00 C ATOM 237 CD2 LEU A 14 102.708 -0.737 -19.934 1.00 0.00 C ATOM 0 H LEU A 14 105.249 -1.483 -17.877 1.00 0.00 H new ATOM 0 HA LEU A 14 102.925 -3.070 -18.882 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.675 -2.455 -20.080 1.00 0.00 H new ATOM 0 HB3 LEU A 14 104.300 -3.122 -20.938 1.00 0.00 H new ATOM 0 HG LEU A 14 104.805 -0.304 -20.035 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.733 0.125 -22.271 1.00 0.00 H new ATOM 0 HD12 LEU A 14 105.062 -1.050 -22.415 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.374 -1.612 -22.416 1.00 0.00 H new ATOM 0 HD21 LEU A 14 102.408 0.277 -20.199 1.00 0.00 H new ATOM 0 HD22 LEU A 14 102.002 -1.448 -20.363 1.00 0.00 H new ATOM 0 HD23 LEU A 14 102.714 -0.842 -18.849 1.00 0.00 H new ATOM 249 N LEU A 15 103.888 -5.360 -18.629 1.00 0.00 N ATOM 250 CA LEU A 15 104.478 -6.712 -18.422 1.00 0.00 C ATOM 251 C LEU A 15 105.121 -7.203 -19.723 1.00 0.00 C ATOM 252 O LEU A 15 105.020 -6.564 -20.754 1.00 0.00 O ATOM 253 CB LEU A 15 103.309 -7.615 -18.015 1.00 0.00 C ATOM 254 CG LEU A 15 102.752 -7.162 -16.662 1.00 0.00 C ATOM 255 CD1 LEU A 15 101.431 -7.884 -16.388 1.00 0.00 C ATOM 256 CD2 LEU A 15 103.755 -7.504 -15.557 1.00 0.00 C ATOM 0 H LEU A 15 102.901 -5.349 -18.886 1.00 0.00 H new ATOM 0 HA LEU A 15 105.258 -6.710 -17.660 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.526 -7.576 -18.773 1.00 0.00 H new ATOM 0 HB3 LEU A 15 103.642 -8.651 -17.953 1.00 0.00 H new ATOM 0 HG LEU A 15 102.583 -6.085 -16.681 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.034 -7.563 -15.425 1.00 0.00 H new ATOM 0 HD12 LEU A 15 100.715 -7.644 -17.174 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.602 -8.960 -16.369 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.359 -7.182 -14.594 1.00 0.00 H new ATOM 0 HD22 LEU A 15 103.923 -8.581 -15.538 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.698 -6.993 -15.751 1.00 0.00 H new ATOM 268 N ASN A 16 105.779 -8.336 -19.676 1.00 0.00 N ATOM 269 CA ASN A 16 106.523 -8.852 -20.880 1.00 0.00 C ATOM 270 C ASN A 16 105.593 -9.012 -22.094 1.00 0.00 C ATOM 271 O ASN A 16 106.045 -9.049 -23.225 1.00 0.00 O ATOM 272 CB ASN A 16 107.100 -10.213 -20.456 1.00 0.00 C ATOM 273 CG ASN A 16 105.974 -11.163 -20.025 1.00 0.00 C ATOM 274 OD1 ASN A 16 105.083 -11.456 -20.797 1.00 0.00 O ATOM 275 ND2 ASN A 16 105.979 -11.655 -18.816 1.00 0.00 N ATOM 0 H ASN A 16 105.836 -8.933 -18.851 1.00 0.00 H new ATOM 0 HA ASN A 16 107.303 -8.155 -21.188 1.00 0.00 H new ATOM 0 HB2 ASN A 16 107.658 -10.652 -21.283 1.00 0.00 H new ATOM 0 HB3 ASN A 16 107.803 -10.077 -19.634 1.00 0.00 H new ATOM 0 HD21 ASN A 16 105.235 -12.286 -18.519 1.00 0.00 H new ATOM 0 HD22 ASN A 16 106.727 -11.409 -18.168 1.00 0.00 H new ATOM 282 N ASN A 17 104.305 -9.107 -21.870 1.00 0.00 N ATOM 283 CA ASN A 17 103.350 -9.302 -23.007 1.00 0.00 C ATOM 284 C ASN A 17 102.782 -7.953 -23.488 1.00 0.00 C ATOM 285 O ASN A 17 101.718 -7.905 -24.076 1.00 0.00 O ATOM 286 CB ASN A 17 102.236 -10.206 -22.450 1.00 0.00 C ATOM 287 CG ASN A 17 101.492 -9.515 -21.295 1.00 0.00 C ATOM 288 OD1 ASN A 17 101.968 -8.545 -20.739 1.00 0.00 O ATOM 289 ND2 ASN A 17 100.337 -9.984 -20.910 1.00 0.00 N ATOM 0 H ASN A 17 103.873 -9.058 -20.947 1.00 0.00 H new ATOM 0 HA ASN A 17 103.837 -9.750 -23.873 1.00 0.00 H new ATOM 0 HB2 ASN A 17 101.532 -10.453 -23.245 1.00 0.00 H new ATOM 0 HB3 ASN A 17 102.665 -11.145 -22.101 1.00 0.00 H new ATOM 0 HD21 ASN A 17 99.835 -9.536 -20.143 1.00 0.00 H new ATOM 0 HD22 ASN A 17 99.936 -10.798 -21.376 1.00 0.00 H new ATOM 296 N ASP A 18 103.481 -6.857 -23.239 1.00 0.00 N ATOM 297 CA ASP A 18 103.048 -5.516 -23.771 1.00 0.00 C ATOM 298 C ASP A 18 101.638 -5.166 -23.279 1.00 0.00 C ATOM 299 O ASP A 18 100.921 -4.417 -23.918 1.00 0.00 O ATOM 300 CB ASP A 18 103.073 -5.633 -25.304 1.00 0.00 C ATOM 301 CG ASP A 18 104.506 -5.889 -25.777 1.00 0.00 C ATOM 302 OD1 ASP A 18 104.879 -7.047 -25.875 1.00 0.00 O ATOM 303 OD2 ASP A 18 105.206 -4.923 -26.032 1.00 0.00 O ATOM 0 H ASP A 18 104.338 -6.838 -22.686 1.00 0.00 H new ATOM 0 HA ASP A 18 103.710 -4.722 -23.424 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.422 -6.445 -25.627 1.00 0.00 H new ATOM 0 HB3 ASP A 18 102.689 -4.718 -25.755 1.00 0.00 H new ATOM 308 N SER A 19 101.236 -5.703 -22.148 1.00 0.00 N ATOM 309 CA SER A 19 99.969 -5.249 -21.507 1.00 0.00 C ATOM 310 C SER A 19 100.300 -4.284 -20.368 1.00 0.00 C ATOM 311 O SER A 19 101.289 -4.450 -19.679 1.00 0.00 O ATOM 312 CB SER A 19 99.314 -6.521 -20.967 1.00 0.00 C ATOM 313 OG SER A 19 100.097 -7.037 -19.897 1.00 0.00 O ATOM 0 H SER A 19 101.735 -6.437 -21.645 1.00 0.00 H new ATOM 0 HA SER A 19 99.308 -4.726 -22.199 1.00 0.00 H new ATOM 0 HB2 SER A 19 98.303 -6.304 -20.621 1.00 0.00 H new ATOM 0 HB3 SER A 19 99.227 -7.264 -21.760 1.00 0.00 H new ATOM 0 HG SER A 19 100.971 -7.320 -20.238 1.00 0.00 H new ATOM 319 N LYS A 20 99.484 -3.281 -20.166 1.00 0.00 N ATOM 320 CA LYS A 20 99.820 -2.232 -19.155 1.00 0.00 C ATOM 321 C LYS A 20 98.890 -2.326 -17.938 1.00 0.00 C ATOM 322 O LYS A 20 97.717 -2.628 -18.063 1.00 0.00 O ATOM 323 CB LYS A 20 99.639 -0.886 -19.884 1.00 0.00 C ATOM 324 CG LYS A 20 98.184 -0.705 -20.343 1.00 0.00 C ATOM 325 CD LYS A 20 97.995 0.714 -20.885 1.00 0.00 C ATOM 326 CE LYS A 20 98.642 0.824 -22.267 1.00 0.00 C ATOM 327 NZ LYS A 20 97.626 0.283 -23.211 1.00 0.00 N ATOM 0 H LYS A 20 98.600 -3.143 -20.657 1.00 0.00 H new ATOM 0 HA LYS A 20 100.834 -2.350 -18.774 1.00 0.00 H new ATOM 0 HB2 LYS A 20 99.920 -0.068 -19.221 1.00 0.00 H new ATOM 0 HB3 LYS A 20 100.305 -0.842 -20.746 1.00 0.00 H new ATOM 0 HG2 LYS A 20 97.941 -1.436 -21.114 1.00 0.00 H new ATOM 0 HG3 LYS A 20 97.504 -0.882 -19.510 1.00 0.00 H new ATOM 0 HD2 LYS A 20 96.933 0.952 -20.949 1.00 0.00 H new ATOM 0 HD3 LYS A 20 98.443 1.437 -20.204 1.00 0.00 H new ATOM 0 HE2 LYS A 20 98.891 1.858 -22.505 1.00 0.00 H new ATOM 0 HE3 LYS A 20 99.569 0.253 -22.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 98.095 -0.319 -23.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 96.928 -0.280 -22.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 97.144 1.070 -23.691 1.00 0.00 H new ATOM 341 N ALA A 21 99.416 -2.069 -16.766 1.00 0.00 N ATOM 342 CA ALA A 21 98.560 -2.026 -15.541 1.00 0.00 C ATOM 343 C ALA A 21 99.025 -0.896 -14.617 1.00 0.00 C ATOM 344 O ALA A 21 100.208 -0.634 -14.498 1.00 0.00 O ATOM 345 CB ALA A 21 98.760 -3.384 -14.870 1.00 0.00 C ATOM 0 H ALA A 21 100.406 -1.886 -16.605 1.00 0.00 H new ATOM 0 HA ALA A 21 97.512 -1.839 -15.773 1.00 0.00 H new ATOM 0 HB1 ALA A 21 98.162 -3.432 -13.960 1.00 0.00 H new ATOM 0 HB2 ALA A 21 98.448 -4.176 -15.551 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.813 -3.515 -14.620 1.00 0.00 H new ATOM 351 N ARG A 22 98.104 -0.227 -13.963 1.00 0.00 N ATOM 352 CA ARG A 22 98.485 0.917 -13.076 1.00 0.00 C ATOM 353 C ARG A 22 97.701 0.863 -11.762 1.00 0.00 C ATOM 354 O ARG A 22 96.550 0.470 -11.736 1.00 0.00 O ATOM 355 CB ARG A 22 98.143 2.188 -13.869 1.00 0.00 C ATOM 356 CG ARG A 22 96.645 2.227 -14.207 1.00 0.00 C ATOM 357 CD ARG A 22 96.369 3.381 -15.175 1.00 0.00 C ATOM 358 NE ARG A 22 94.881 3.412 -15.329 1.00 0.00 N ATOM 359 CZ ARG A 22 94.098 3.910 -14.389 1.00 0.00 C ATOM 360 NH1 ARG A 22 94.586 4.388 -13.267 1.00 0.00 N ATOM 361 NH2 ARG A 22 92.807 3.924 -14.578 1.00 0.00 N ATOM 0 H ARG A 22 97.104 -0.425 -14.006 1.00 0.00 H new ATOM 0 HA ARG A 22 99.541 0.888 -12.809 1.00 0.00 H new ATOM 0 HB2 ARG A 22 98.413 3.070 -13.288 1.00 0.00 H new ATOM 0 HB3 ARG A 22 98.730 2.219 -14.787 1.00 0.00 H new ATOM 0 HG2 ARG A 22 96.338 1.282 -14.654 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.059 2.354 -13.297 1.00 0.00 H new ATOM 0 HD2 ARG A 22 96.744 4.325 -14.780 1.00 0.00 H new ATOM 0 HD3 ARG A 22 96.861 3.218 -16.134 1.00 0.00 H new ATOM 0 HE ARG A 22 94.461 3.039 -16.181 1.00 0.00 H new ATOM 0 HH11 ARG A 22 95.593 4.381 -13.105 1.00 0.00 H new ATOM 0 HH12 ARG A 22 93.958 4.767 -12.558 1.00 0.00 H new ATOM 0 HH21 ARG A 22 92.414 3.553 -15.443 1.00 0.00 H new ATOM 0 HH22 ARG A 22 92.191 4.306 -13.860 1.00 0.00 H new ATOM 375 N GLY A 23 98.323 1.258 -10.678 1.00 0.00 N ATOM 376 CA GLY A 23 97.626 1.240 -9.357 1.00 0.00 C ATOM 377 C GLY A 23 98.588 1.720 -8.270 1.00 0.00 C ATOM 378 O GLY A 23 99.678 2.180 -8.559 1.00 0.00 O ATOM 0 H GLY A 23 99.286 1.593 -10.653 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.746 1.882 -9.389 1.00 0.00 H new ATOM 0 HA3 GLY A 23 97.277 0.232 -9.131 1.00 0.00 H new ATOM 382 N VAL A 24 98.198 1.617 -7.023 1.00 0.00 N ATOM 383 CA VAL A 24 99.074 2.105 -5.911 1.00 0.00 C ATOM 384 C VAL A 24 99.938 0.950 -5.392 1.00 0.00 C ATOM 385 O VAL A 24 99.456 -0.145 -5.177 1.00 0.00 O ATOM 386 CB VAL A 24 98.114 2.606 -4.816 1.00 0.00 C ATOM 387 CG1 VAL A 24 98.917 3.150 -3.628 1.00 0.00 C ATOM 388 CG2 VAL A 24 97.223 3.728 -5.365 1.00 0.00 C ATOM 0 H VAL A 24 97.309 1.215 -6.726 1.00 0.00 H new ATOM 0 HA VAL A 24 99.751 2.896 -6.233 1.00 0.00 H new ATOM 0 HB VAL A 24 97.492 1.771 -4.493 1.00 0.00 H new ATOM 0 HG11 VAL A 24 98.232 3.503 -2.857 1.00 0.00 H new ATOM 0 HG12 VAL A 24 99.545 2.358 -3.220 1.00 0.00 H new ATOM 0 HG13 VAL A 24 99.545 3.976 -3.961 1.00 0.00 H new ATOM 0 HG21 VAL A 24 96.549 4.074 -4.581 1.00 0.00 H new ATOM 0 HG22 VAL A 24 97.847 4.557 -5.699 1.00 0.00 H new ATOM 0 HG23 VAL A 24 96.640 3.351 -6.205 1.00 0.00 H new ATOM 398 N ILE A 25 101.208 1.192 -5.190 1.00 0.00 N ATOM 399 CA ILE A 25 102.112 0.111 -4.674 1.00 0.00 C ATOM 400 C ILE A 25 101.860 -0.115 -3.178 1.00 0.00 C ATOM 401 O ILE A 25 101.669 0.822 -2.425 1.00 0.00 O ATOM 402 CB ILE A 25 103.540 0.633 -4.928 1.00 0.00 C ATOM 403 CG1 ILE A 25 103.787 0.707 -6.440 1.00 0.00 C ATOM 404 CG2 ILE A 25 104.582 -0.298 -4.285 1.00 0.00 C ATOM 405 CD1 ILE A 25 105.050 1.527 -6.719 1.00 0.00 C ATOM 0 H ILE A 25 101.661 2.090 -5.359 1.00 0.00 H new ATOM 0 HA ILE A 25 101.944 -0.848 -5.165 1.00 0.00 H new ATOM 0 HB ILE A 25 103.637 1.623 -4.483 1.00 0.00 H new ATOM 0 HG12 ILE A 25 103.896 -0.297 -6.850 1.00 0.00 H new ATOM 0 HG13 ILE A 25 102.930 1.162 -6.936 1.00 0.00 H new ATOM 0 HG21 ILE A 25 105.583 0.089 -4.476 1.00 0.00 H new ATOM 0 HG22 ILE A 25 104.411 -0.347 -3.210 1.00 0.00 H new ATOM 0 HG23 ILE A 25 104.491 -1.296 -4.713 1.00 0.00 H new ATOM 0 HD11 ILE A 25 105.221 1.577 -7.794 1.00 0.00 H new ATOM 0 HD12 ILE A 25 104.924 2.535 -6.325 1.00 0.00 H new ATOM 0 HD13 ILE A 25 105.905 1.053 -6.237 1.00 0.00 H new ATOM 417 N THR A 26 101.858 -1.357 -2.747 1.00 0.00 N ATOM 418 CA THR A 26 101.609 -1.655 -1.303 1.00 0.00 C ATOM 419 C THR A 26 102.740 -2.500 -0.699 1.00 0.00 C ATOM 420 O THR A 26 103.095 -2.316 0.451 1.00 0.00 O ATOM 421 CB THR A 26 100.292 -2.432 -1.277 1.00 0.00 C ATOM 422 OG1 THR A 26 100.368 -3.522 -2.185 1.00 0.00 O ATOM 423 CG2 THR A 26 99.141 -1.508 -1.681 1.00 0.00 C ATOM 0 H THR A 26 102.018 -2.175 -3.335 1.00 0.00 H new ATOM 0 HA THR A 26 101.564 -0.740 -0.712 1.00 0.00 H new ATOM 0 HB THR A 26 100.114 -2.809 -0.270 1.00 0.00 H new ATOM 0 HG1 THR A 26 100.477 -3.181 -3.097 1.00 0.00 H new ATOM 0 HG21 THR A 26 98.204 -2.064 -1.662 1.00 0.00 H new ATOM 0 HG22 THR A 26 99.082 -0.673 -0.982 1.00 0.00 H new ATOM 0 HG23 THR A 26 99.316 -1.127 -2.687 1.00 0.00 H new ATOM 431 N ASN A 27 103.311 -3.419 -1.451 1.00 0.00 N ATOM 432 CA ASN A 27 104.309 -4.357 -0.843 1.00 0.00 C ATOM 433 C ASN A 27 105.513 -4.554 -1.767 1.00 0.00 C ATOM 434 O ASN A 27 105.393 -4.514 -2.976 1.00 0.00 O ATOM 435 CB ASN A 27 103.554 -5.674 -0.666 1.00 0.00 C ATOM 436 CG ASN A 27 104.381 -6.626 0.199 1.00 0.00 C ATOM 437 OD1 ASN A 27 104.978 -7.559 -0.302 1.00 0.00 O ATOM 438 ND2 ASN A 27 104.443 -6.430 1.488 1.00 0.00 N ATOM 0 H ASN A 27 103.130 -3.557 -2.445 1.00 0.00 H new ATOM 0 HA ASN A 27 104.702 -3.973 0.098 1.00 0.00 H new ATOM 0 HB2 ASN A 27 102.586 -5.490 -0.200 1.00 0.00 H new ATOM 0 HB3 ASN A 27 103.359 -6.127 -1.638 1.00 0.00 H new ATOM 0 HD21 ASN A 27 104.992 -7.059 2.074 1.00 0.00 H new ATOM 0 HD22 ASN A 27 103.943 -5.648 1.910 1.00 0.00 H new ATOM 445 N PHE A 28 106.674 -4.760 -1.193 1.00 0.00 N ATOM 446 CA PHE A 28 107.880 -5.108 -2.000 1.00 0.00 C ATOM 447 C PHE A 28 108.810 -6.000 -1.175 1.00 0.00 C ATOM 448 O PHE A 28 109.137 -5.689 -0.044 1.00 0.00 O ATOM 449 CB PHE A 28 108.550 -3.771 -2.315 1.00 0.00 C ATOM 450 CG PHE A 28 109.668 -3.883 -3.324 1.00 0.00 C ATOM 451 CD1 PHE A 28 109.373 -4.191 -4.674 1.00 0.00 C ATOM 452 CD2 PHE A 28 111.010 -3.678 -2.921 1.00 0.00 C ATOM 453 CE1 PHE A 28 110.420 -4.294 -5.622 1.00 0.00 C ATOM 454 CE2 PHE A 28 112.058 -3.782 -3.869 1.00 0.00 C ATOM 455 CZ PHE A 28 111.763 -4.091 -5.219 1.00 0.00 C ATOM 0 H PHE A 28 106.836 -4.700 -0.188 1.00 0.00 H new ATOM 0 HA PHE A 28 107.632 -5.655 -2.910 1.00 0.00 H new ATOM 0 HB2 PHE A 28 107.799 -3.077 -2.692 1.00 0.00 H new ATOM 0 HB3 PHE A 28 108.944 -3.345 -1.393 1.00 0.00 H new ATOM 0 HD1 PHE A 28 108.349 -4.347 -4.981 1.00 0.00 H new ATOM 0 HD2 PHE A 28 111.235 -3.442 -1.891 1.00 0.00 H new ATOM 0 HE1 PHE A 28 110.195 -4.527 -6.652 1.00 0.00 H new ATOM 0 HE2 PHE A 28 113.082 -3.626 -3.562 1.00 0.00 H new ATOM 0 HZ PHE A 28 112.562 -4.172 -5.941 1.00 0.00 H new ATOM 465 N ASP A 29 109.236 -7.106 -1.734 1.00 0.00 N ATOM 466 CA ASP A 29 110.078 -8.071 -0.962 1.00 0.00 C ATOM 467 C ASP A 29 111.413 -8.289 -1.677 1.00 0.00 C ATOM 468 O ASP A 29 111.448 -8.693 -2.822 1.00 0.00 O ATOM 469 CB ASP A 29 109.266 -9.367 -0.933 1.00 0.00 C ATOM 470 CG ASP A 29 109.925 -10.367 0.021 1.00 0.00 C ATOM 471 OD1 ASP A 29 110.328 -9.954 1.097 1.00 0.00 O ATOM 472 OD2 ASP A 29 110.016 -11.528 -0.340 1.00 0.00 O ATOM 0 H ASP A 29 109.036 -7.383 -2.695 1.00 0.00 H new ATOM 0 HA ASP A 29 110.308 -7.713 0.041 1.00 0.00 H new ATOM 0 HB2 ASP A 29 108.245 -9.161 -0.611 1.00 0.00 H new ATOM 0 HB3 ASP A 29 109.205 -9.792 -1.935 1.00 0.00 H new ATOM 477 N SER A 30 112.506 -8.022 -1.004 1.00 0.00 N ATOM 478 CA SER A 30 113.852 -8.193 -1.642 1.00 0.00 C ATOM 479 C SER A 30 114.181 -9.680 -1.838 1.00 0.00 C ATOM 480 O SER A 30 114.948 -10.037 -2.712 1.00 0.00 O ATOM 481 CB SER A 30 114.846 -7.552 -0.671 1.00 0.00 C ATOM 482 OG SER A 30 114.905 -8.328 0.520 1.00 0.00 O ATOM 0 H SER A 30 112.525 -7.692 -0.039 1.00 0.00 H new ATOM 0 HA SER A 30 113.888 -7.732 -2.629 1.00 0.00 H new ATOM 0 HB2 SER A 30 115.833 -7.492 -1.129 1.00 0.00 H new ATOM 0 HB3 SER A 30 114.540 -6.532 -0.440 1.00 0.00 H new ATOM 0 HG SER A 30 115.542 -7.922 1.144 1.00 0.00 H new ATOM 488 N SER A 31 113.605 -10.547 -1.033 1.00 0.00 N ATOM 489 CA SER A 31 113.935 -12.009 -1.128 1.00 0.00 C ATOM 490 C SER A 31 113.571 -12.562 -2.512 1.00 0.00 C ATOM 491 O SER A 31 114.369 -13.219 -3.155 1.00 0.00 O ATOM 492 CB SER A 31 113.092 -12.689 -0.048 1.00 0.00 C ATOM 493 OG SER A 31 113.487 -14.050 0.070 1.00 0.00 O ATOM 0 H SER A 31 112.922 -10.305 -0.315 1.00 0.00 H new ATOM 0 HA SER A 31 115.001 -12.187 -0.988 1.00 0.00 H new ATOM 0 HB2 SER A 31 113.221 -12.177 0.906 1.00 0.00 H new ATOM 0 HB3 SER A 31 112.034 -12.626 -0.303 1.00 0.00 H new ATOM 0 HG SER A 31 112.949 -14.488 0.763 1.00 0.00 H new ATOM 499 N ASN A 32 112.372 -12.297 -2.973 1.00 0.00 N ATOM 500 CA ASN A 32 111.949 -12.792 -4.323 1.00 0.00 C ATOM 501 C ASN A 32 111.485 -11.633 -5.222 1.00 0.00 C ATOM 502 O ASN A 32 110.936 -11.857 -6.284 1.00 0.00 O ATOM 503 CB ASN A 32 110.787 -13.747 -4.047 1.00 0.00 C ATOM 504 CG ASN A 32 111.299 -14.979 -3.293 1.00 0.00 C ATOM 505 OD1 ASN A 32 112.397 -15.441 -3.533 1.00 0.00 O ATOM 506 ND2 ASN A 32 110.542 -15.534 -2.387 1.00 0.00 N ATOM 0 H ASN A 32 111.666 -11.758 -2.472 1.00 0.00 H new ATOM 0 HA ASN A 32 112.772 -13.277 -4.848 1.00 0.00 H new ATOM 0 HB2 ASN A 32 110.020 -13.242 -3.460 1.00 0.00 H new ATOM 0 HB3 ASN A 32 110.322 -14.050 -4.985 1.00 0.00 H new ATOM 0 HD21 ASN A 32 110.872 -16.355 -1.880 1.00 0.00 H new ATOM 0 HD22 ASN A 32 109.620 -15.146 -2.185 1.00 0.00 H new ATOM 513 N SER A 33 111.700 -10.396 -4.809 1.00 0.00 N ATOM 514 CA SER A 33 111.251 -9.210 -5.620 1.00 0.00 C ATOM 515 C SER A 33 109.768 -9.338 -6.009 1.00 0.00 C ATOM 516 O SER A 33 109.428 -9.492 -7.170 1.00 0.00 O ATOM 517 CB SER A 33 112.148 -9.203 -6.864 1.00 0.00 C ATOM 518 OG SER A 33 113.500 -9.400 -6.470 1.00 0.00 O ATOM 0 H SER A 33 112.172 -10.158 -3.936 1.00 0.00 H new ATOM 0 HA SER A 33 111.338 -8.281 -5.057 1.00 0.00 H new ATOM 0 HB2 SER A 33 111.840 -9.989 -7.553 1.00 0.00 H new ATOM 0 HB3 SER A 33 112.046 -8.256 -7.395 1.00 0.00 H new ATOM 0 HG SER A 33 114.076 -9.398 -7.263 1.00 0.00 H new ATOM 524 N ILE A 34 108.887 -9.276 -5.039 1.00 0.00 N ATOM 525 CA ILE A 34 107.424 -9.414 -5.331 1.00 0.00 C ATOM 526 C ILE A 34 106.705 -8.099 -5.005 1.00 0.00 C ATOM 527 O ILE A 34 106.921 -7.510 -3.963 1.00 0.00 O ATOM 528 CB ILE A 34 106.922 -10.550 -4.422 1.00 0.00 C ATOM 529 CG1 ILE A 34 107.764 -11.831 -4.630 1.00 0.00 C ATOM 530 CG2 ILE A 34 105.450 -10.850 -4.733 1.00 0.00 C ATOM 531 CD1 ILE A 34 107.681 -12.328 -6.086 1.00 0.00 C ATOM 0 H ILE A 34 109.118 -9.135 -4.056 1.00 0.00 H new ATOM 0 HA ILE A 34 107.233 -9.636 -6.381 1.00 0.00 H new ATOM 0 HB ILE A 34 107.022 -10.231 -3.385 1.00 0.00 H new ATOM 0 HG12 ILE A 34 108.804 -11.631 -4.371 1.00 0.00 H new ATOM 0 HG13 ILE A 34 107.412 -12.613 -3.957 1.00 0.00 H new ATOM 0 HG21 ILE A 34 105.098 -11.655 -4.087 1.00 0.00 H new ATOM 0 HG22 ILE A 34 104.852 -9.956 -4.557 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.353 -11.153 -5.776 1.00 0.00 H new ATOM 0 HD11 ILE A 34 108.284 -13.229 -6.198 1.00 0.00 H new ATOM 0 HD12 ILE A 34 106.644 -12.552 -6.335 1.00 0.00 H new ATOM 0 HD13 ILE A 34 108.057 -11.555 -6.756 1.00 0.00 H new ATOM 543 N LEU A 35 105.853 -7.642 -5.891 1.00 0.00 N ATOM 544 CA LEU A 35 105.204 -6.307 -5.706 1.00 0.00 C ATOM 545 C LEU A 35 103.681 -6.446 -5.749 1.00 0.00 C ATOM 546 O LEU A 35 103.125 -6.981 -6.692 1.00 0.00 O ATOM 547 CB LEU A 35 105.702 -5.472 -6.889 1.00 0.00 C ATOM 548 CG LEU A 35 105.229 -4.024 -6.741 1.00 0.00 C ATOM 549 CD1 LEU A 35 106.197 -3.256 -5.838 1.00 0.00 C ATOM 550 CD2 LEU A 35 105.185 -3.363 -8.120 1.00 0.00 C ATOM 0 H LEU A 35 105.578 -8.139 -6.738 1.00 0.00 H new ATOM 0 HA LEU A 35 105.449 -5.852 -4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 35 106.790 -5.505 -6.936 1.00 0.00 H new ATOM 0 HB3 LEU A 35 105.330 -5.892 -7.824 1.00 0.00 H new ATOM 0 HG LEU A 35 104.234 -4.011 -6.296 1.00 0.00 H new ATOM 0 HD11 LEU A 35 105.858 -2.225 -5.734 1.00 0.00 H new ATOM 0 HD12 LEU A 35 106.230 -3.728 -4.856 1.00 0.00 H new ATOM 0 HD13 LEU A 35 107.193 -3.267 -6.280 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.848 -2.331 -8.018 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.181 -3.378 -8.563 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.494 -3.908 -8.763 1.00 0.00 H new ATOM 562 N GLN A 36 103.009 -5.967 -4.733 1.00 0.00 N ATOM 563 CA GLN A 36 101.518 -5.950 -4.754 1.00 0.00 C ATOM 564 C GLN A 36 101.020 -4.543 -5.085 1.00 0.00 C ATOM 565 O GLN A 36 101.442 -3.572 -4.482 1.00 0.00 O ATOM 566 CB GLN A 36 101.092 -6.353 -3.343 1.00 0.00 C ATOM 567 CG GLN A 36 101.381 -7.838 -3.127 1.00 0.00 C ATOM 568 CD GLN A 36 100.994 -8.232 -1.700 1.00 0.00 C ATOM 569 OE1 GLN A 36 101.771 -8.069 -0.781 1.00 0.00 O ATOM 570 NE2 GLN A 36 99.816 -8.748 -1.476 1.00 0.00 N ATOM 0 H GLN A 36 103.432 -5.586 -3.887 1.00 0.00 H new ATOM 0 HA GLN A 36 101.106 -6.623 -5.506 1.00 0.00 H new ATOM 0 HB2 GLN A 36 101.629 -5.756 -2.605 1.00 0.00 H new ATOM 0 HB3 GLN A 36 100.030 -6.154 -3.202 1.00 0.00 H new ATOM 0 HG2 GLN A 36 100.821 -8.436 -3.845 1.00 0.00 H new ATOM 0 HG3 GLN A 36 102.438 -8.042 -3.298 1.00 0.00 H new ATOM 0 HE21 GLN A 36 99.164 -8.885 -2.248 1.00 0.00 H new ATOM 0 HE22 GLN A 36 99.548 -9.015 -0.529 1.00 0.00 H new ATOM 579 N LEU A 37 100.130 -4.431 -6.041 1.00 0.00 N ATOM 580 CA LEU A 37 99.561 -3.096 -6.394 1.00 0.00 C ATOM 581 C LEU A 37 98.090 -3.030 -5.985 1.00 0.00 C ATOM 582 O LEU A 37 97.274 -3.809 -6.446 1.00 0.00 O ATOM 583 CB LEU A 37 99.695 -2.991 -7.914 1.00 0.00 C ATOM 584 CG LEU A 37 101.141 -2.657 -8.284 1.00 0.00 C ATOM 585 CD1 LEU A 37 101.374 -2.967 -9.765 1.00 0.00 C ATOM 586 CD2 LEU A 37 101.400 -1.169 -8.034 1.00 0.00 C ATOM 0 H LEU A 37 99.773 -5.211 -6.593 1.00 0.00 H new ATOM 0 HA LEU A 37 100.075 -2.282 -5.884 1.00 0.00 H new ATOM 0 HB2 LEU A 37 99.398 -3.930 -8.380 1.00 0.00 H new ATOM 0 HB3 LEU A 37 99.025 -2.220 -8.295 1.00 0.00 H new ATOM 0 HG LEU A 37 101.818 -3.255 -7.674 1.00 0.00 H new ATOM 0 HD11 LEU A 37 102.404 -2.729 -10.029 1.00 0.00 H new ATOM 0 HD12 LEU A 37 101.187 -4.025 -9.949 1.00 0.00 H new ATOM 0 HD13 LEU A 37 100.696 -2.368 -10.373 1.00 0.00 H new ATOM 0 HD21 LEU A 37 102.430 -0.930 -8.297 1.00 0.00 H new ATOM 0 HD22 LEU A 37 100.722 -0.574 -8.645 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.233 -0.942 -6.981 1.00 0.00 H new ATOM 598 N ARG A 38 97.749 -2.107 -5.122 1.00 0.00 N ATOM 599 CA ARG A 38 96.319 -1.941 -4.719 1.00 0.00 C ATOM 600 C ARG A 38 95.675 -0.821 -5.543 1.00 0.00 C ATOM 601 O ARG A 38 96.154 0.297 -5.564 1.00 0.00 O ATOM 602 CB ARG A 38 96.361 -1.571 -3.235 1.00 0.00 C ATOM 603 CG ARG A 38 94.939 -1.549 -2.670 1.00 0.00 C ATOM 604 CD ARG A 38 94.993 -1.305 -1.158 1.00 0.00 C ATOM 605 NE ARG A 38 95.475 0.105 -0.998 1.00 0.00 N ATOM 606 CZ ARG A 38 95.948 0.543 0.153 1.00 0.00 C ATOM 607 NH1 ARG A 38 96.012 -0.232 1.213 1.00 0.00 N ATOM 608 NH2 ARG A 38 96.361 1.777 0.243 1.00 0.00 N ATOM 0 H ARG A 38 98.400 -1.460 -4.678 1.00 0.00 H new ATOM 0 HA ARG A 38 95.730 -2.842 -4.889 1.00 0.00 H new ATOM 0 HB2 ARG A 38 96.969 -2.291 -2.688 1.00 0.00 H new ATOM 0 HB3 ARG A 38 96.829 -0.595 -3.106 1.00 0.00 H new ATOM 0 HG2 ARG A 38 94.356 -0.766 -3.155 1.00 0.00 H new ATOM 0 HG3 ARG A 38 94.439 -2.495 -2.879 1.00 0.00 H new ATOM 0 HD2 ARG A 38 94.011 -1.438 -0.703 1.00 0.00 H new ATOM 0 HD3 ARG A 38 95.668 -2.008 -0.671 1.00 0.00 H new ATOM 0 HE ARG A 38 95.437 0.739 -1.796 1.00 0.00 H new ATOM 0 HH11 ARG A 38 95.691 -1.199 1.158 1.00 0.00 H new ATOM 0 HH12 ARG A 38 96.382 0.133 2.090 1.00 0.00 H new ATOM 0 HH21 ARG A 38 96.316 2.391 -0.571 1.00 0.00 H new ATOM 0 HH22 ARG A 38 96.729 2.128 1.127 1.00 0.00 H new ATOM 622 N LEU A 39 94.594 -1.120 -6.219 1.00 0.00 N ATOM 623 CA LEU A 39 93.984 -0.126 -7.151 1.00 0.00 C ATOM 624 C LEU A 39 92.756 0.536 -6.515 1.00 0.00 C ATOM 625 O LEU A 39 92.019 -0.086 -5.770 1.00 0.00 O ATOM 626 CB LEU A 39 93.595 -0.943 -8.387 1.00 0.00 C ATOM 627 CG LEU A 39 93.237 -0.016 -9.560 1.00 0.00 C ATOM 628 CD1 LEU A 39 94.436 0.864 -9.927 1.00 0.00 C ATOM 629 CD2 LEU A 39 92.872 -0.871 -10.771 1.00 0.00 C ATOM 0 H LEU A 39 94.106 -2.014 -6.164 1.00 0.00 H new ATOM 0 HA LEU A 39 94.668 0.686 -7.397 1.00 0.00 H new ATOM 0 HB2 LEU A 39 94.420 -1.596 -8.672 1.00 0.00 H new ATOM 0 HB3 LEU A 39 92.746 -1.585 -8.152 1.00 0.00 H new ATOM 0 HG LEU A 39 92.400 0.619 -9.269 1.00 0.00 H new ATOM 0 HD11 LEU A 39 94.168 1.515 -10.759 1.00 0.00 H new ATOM 0 HD12 LEU A 39 94.718 1.471 -9.067 1.00 0.00 H new ATOM 0 HD13 LEU A 39 95.276 0.232 -10.216 1.00 0.00 H new ATOM 0 HD21 LEU A 39 92.616 -0.224 -11.610 1.00 0.00 H new ATOM 0 HD22 LEU A 39 93.721 -1.498 -11.043 1.00 0.00 H new ATOM 0 HD23 LEU A 39 92.018 -1.503 -10.526 1.00 0.00 H new ATOM 641 N ALA A 40 92.537 1.795 -6.816 1.00 0.00 N ATOM 642 CA ALA A 40 91.432 2.568 -6.154 1.00 0.00 C ATOM 643 C ALA A 40 90.048 1.989 -6.493 1.00 0.00 C ATOM 644 O ALA A 40 89.057 2.374 -5.899 1.00 0.00 O ATOM 645 CB ALA A 40 91.556 3.995 -6.696 1.00 0.00 C ATOM 0 H ALA A 40 93.080 2.326 -7.497 1.00 0.00 H new ATOM 0 HA ALA A 40 91.521 2.524 -5.069 1.00 0.00 H new ATOM 0 HB1 ALA A 40 90.779 4.620 -6.256 1.00 0.00 H new ATOM 0 HB2 ALA A 40 92.535 4.398 -6.439 1.00 0.00 H new ATOM 0 HB3 ALA A 40 91.442 3.984 -7.780 1.00 0.00 H new ATOM 651 N ASN A 41 89.964 1.076 -7.436 1.00 0.00 N ATOM 652 CA ASN A 41 88.650 0.426 -7.750 1.00 0.00 C ATOM 653 C ASN A 41 88.399 -0.787 -6.832 1.00 0.00 C ATOM 654 O ASN A 41 87.755 -1.739 -7.232 1.00 0.00 O ATOM 655 CB ASN A 41 88.772 -0.030 -9.206 1.00 0.00 C ATOM 656 CG ASN A 41 87.381 -0.318 -9.771 1.00 0.00 C ATOM 657 OD1 ASN A 41 86.433 0.382 -9.474 1.00 0.00 O ATOM 658 ND2 ASN A 41 87.215 -1.330 -10.578 1.00 0.00 N ATOM 0 H ASN A 41 90.750 0.754 -8.001 1.00 0.00 H new ATOM 0 HA ASN A 41 87.816 1.111 -7.596 1.00 0.00 H new ATOM 0 HB2 ASN A 41 89.264 0.741 -9.799 1.00 0.00 H new ATOM 0 HB3 ASN A 41 89.393 -0.924 -9.267 1.00 0.00 H new ATOM 0 HD21 ASN A 41 86.291 -1.533 -10.959 1.00 0.00 H new ATOM 0 HD22 ASN A 41 88.010 -1.918 -10.828 1.00 0.00 H new ATOM 665 N ASP A 42 88.901 -0.769 -5.603 1.00 0.00 N ATOM 666 CA ASP A 42 88.645 -1.897 -4.641 1.00 0.00 C ATOM 667 C ASP A 42 89.208 -3.214 -5.193 1.00 0.00 C ATOM 668 O ASP A 42 88.716 -4.281 -4.876 1.00 0.00 O ATOM 669 CB ASP A 42 87.120 -1.989 -4.488 1.00 0.00 C ATOM 670 CG ASP A 42 86.781 -2.791 -3.231 1.00 0.00 C ATOM 671 OD1 ASP A 42 86.780 -2.207 -2.160 1.00 0.00 O ATOM 672 OD2 ASP A 42 86.527 -3.978 -3.360 1.00 0.00 O ATOM 0 H ASP A 42 89.478 -0.015 -5.231 1.00 0.00 H new ATOM 0 HA ASP A 42 89.131 -1.718 -3.682 1.00 0.00 H new ATOM 0 HB2 ASP A 42 86.690 -0.990 -4.422 1.00 0.00 H new ATOM 0 HB3 ASP A 42 86.684 -2.466 -5.366 1.00 0.00 H new ATOM 677 N SER A 43 90.235 -3.149 -6.017 1.00 0.00 N ATOM 678 CA SER A 43 90.854 -4.402 -6.548 1.00 0.00 C ATOM 679 C SER A 43 92.324 -4.479 -6.129 1.00 0.00 C ATOM 680 O SER A 43 93.029 -3.488 -6.135 1.00 0.00 O ATOM 681 CB SER A 43 90.733 -4.292 -8.067 1.00 0.00 C ATOM 682 OG SER A 43 89.358 -4.217 -8.423 1.00 0.00 O ATOM 0 H SER A 43 90.666 -2.283 -6.340 1.00 0.00 H new ATOM 0 HA SER A 43 90.366 -5.299 -6.167 1.00 0.00 H new ATOM 0 HB2 SER A 43 91.262 -3.408 -8.423 1.00 0.00 H new ATOM 0 HB3 SER A 43 91.198 -5.155 -8.544 1.00 0.00 H new ATOM 0 HG SER A 43 89.276 -4.145 -9.397 1.00 0.00 H new ATOM 688 N THR A 44 92.788 -5.651 -5.767 1.00 0.00 N ATOM 689 CA THR A 44 94.216 -5.808 -5.347 1.00 0.00 C ATOM 690 C THR A 44 94.869 -6.964 -6.113 1.00 0.00 C ATOM 691 O THR A 44 94.235 -7.966 -6.394 1.00 0.00 O ATOM 692 CB THR A 44 94.169 -6.101 -3.838 1.00 0.00 C ATOM 693 OG1 THR A 44 95.493 -6.265 -3.352 1.00 0.00 O ATOM 694 CG2 THR A 44 93.361 -7.376 -3.559 1.00 0.00 C ATOM 0 H THR A 44 92.237 -6.509 -5.744 1.00 0.00 H new ATOM 0 HA THR A 44 94.808 -4.918 -5.560 1.00 0.00 H new ATOM 0 HB THR A 44 93.686 -5.265 -3.332 1.00 0.00 H new ATOM 0 HG1 THR A 44 95.468 -6.450 -2.390 1.00 0.00 H new ATOM 0 HG21 THR A 44 93.340 -7.566 -2.486 1.00 0.00 H new ATOM 0 HG22 THR A 44 92.342 -7.249 -3.925 1.00 0.00 H new ATOM 0 HG23 THR A 44 93.826 -8.220 -4.068 1.00 0.00 H new ATOM 702 N LYS A 45 96.128 -6.829 -6.451 1.00 0.00 N ATOM 703 CA LYS A 45 96.819 -7.900 -7.231 1.00 0.00 C ATOM 704 C LYS A 45 98.277 -8.034 -6.785 1.00 0.00 C ATOM 705 O LYS A 45 98.938 -7.053 -6.495 1.00 0.00 O ATOM 706 CB LYS A 45 96.744 -7.441 -8.688 1.00 0.00 C ATOM 707 CG LYS A 45 95.337 -7.696 -9.229 1.00 0.00 C ATOM 708 CD LYS A 45 95.267 -7.263 -10.696 1.00 0.00 C ATOM 709 CE LYS A 45 95.948 -8.316 -11.573 1.00 0.00 C ATOM 710 NZ LYS A 45 96.399 -7.574 -12.783 1.00 0.00 N ATOM 0 H LYS A 45 96.707 -6.022 -6.220 1.00 0.00 H new ATOM 0 HA LYS A 45 96.356 -8.876 -7.085 1.00 0.00 H new ATOM 0 HB2 LYS A 45 96.986 -6.381 -8.760 1.00 0.00 H new ATOM 0 HB3 LYS A 45 97.479 -7.977 -9.288 1.00 0.00 H new ATOM 0 HG2 LYS A 45 95.087 -8.753 -9.139 1.00 0.00 H new ATOM 0 HG3 LYS A 45 94.604 -7.144 -8.641 1.00 0.00 H new ATOM 0 HD2 LYS A 45 94.228 -7.138 -11.000 1.00 0.00 H new ATOM 0 HD3 LYS A 45 95.755 -6.297 -10.825 1.00 0.00 H new ATOM 0 HE2 LYS A 45 96.790 -8.777 -11.056 1.00 0.00 H new ATOM 0 HE3 LYS A 45 95.258 -9.118 -11.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 96.877 -8.229 -13.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 95.576 -7.152 -13.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 97.060 -6.822 -12.503 1.00 0.00 H new ATOM 724 N SER A 46 98.777 -9.244 -6.733 1.00 0.00 N ATOM 725 CA SER A 46 100.215 -9.458 -6.388 1.00 0.00 C ATOM 726 C SER A 46 100.977 -9.948 -7.622 1.00 0.00 C ATOM 727 O SER A 46 100.673 -10.991 -8.172 1.00 0.00 O ATOM 728 CB SER A 46 100.207 -10.531 -5.300 1.00 0.00 C ATOM 729 OG SER A 46 99.746 -11.757 -5.853 1.00 0.00 O ATOM 0 H SER A 46 98.247 -10.096 -6.916 1.00 0.00 H new ATOM 0 HA SER A 46 100.704 -8.544 -6.050 1.00 0.00 H new ATOM 0 HB2 SER A 46 101.209 -10.658 -4.890 1.00 0.00 H new ATOM 0 HB3 SER A 46 99.562 -10.225 -4.476 1.00 0.00 H new ATOM 0 HG SER A 46 99.723 -11.687 -6.830 1.00 0.00 H new ATOM 735 N ILE A 47 101.964 -9.202 -8.059 1.00 0.00 N ATOM 736 CA ILE A 47 102.721 -9.591 -9.289 1.00 0.00 C ATOM 737 C ILE A 47 104.223 -9.559 -8.997 1.00 0.00 C ATOM 738 O ILE A 47 104.732 -8.604 -8.437 1.00 0.00 O ATOM 739 CB ILE A 47 102.347 -8.540 -10.349 1.00 0.00 C ATOM 740 CG1 ILE A 47 100.831 -8.563 -10.594 1.00 0.00 C ATOM 741 CG2 ILE A 47 103.069 -8.851 -11.666 1.00 0.00 C ATOM 742 CD1 ILE A 47 100.426 -7.342 -11.423 1.00 0.00 C ATOM 0 H ILE A 47 102.278 -8.339 -7.615 1.00 0.00 H new ATOM 0 HA ILE A 47 102.478 -10.598 -9.628 1.00 0.00 H new ATOM 0 HB ILE A 47 102.646 -7.555 -9.989 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.551 -9.478 -11.115 1.00 0.00 H new ATOM 0 HG13 ILE A 47 100.299 -8.562 -9.643 1.00 0.00 H new ATOM 0 HG21 ILE A 47 102.801 -8.104 -12.413 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.147 -8.831 -11.504 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.773 -9.839 -12.018 1.00 0.00 H new ATOM 0 HD11 ILE A 47 99.350 -7.360 -11.596 1.00 0.00 H new ATOM 0 HD12 ILE A 47 100.692 -6.432 -10.885 1.00 0.00 H new ATOM 0 HD13 ILE A 47 100.947 -7.363 -12.380 1.00 0.00 H new ATOM 754 N VAL A 48 104.933 -10.595 -9.371 1.00 0.00 N ATOM 755 CA VAL A 48 106.413 -10.610 -9.146 1.00 0.00 C ATOM 756 C VAL A 48 107.083 -9.640 -10.124 1.00 0.00 C ATOM 757 O VAL A 48 106.739 -9.586 -11.287 1.00 0.00 O ATOM 758 CB VAL A 48 106.873 -12.056 -9.406 1.00 0.00 C ATOM 759 CG1 VAL A 48 108.365 -12.192 -9.066 1.00 0.00 C ATOM 760 CG2 VAL A 48 106.052 -13.041 -8.550 1.00 0.00 C ATOM 0 H VAL A 48 104.554 -11.428 -9.821 1.00 0.00 H new ATOM 0 HA VAL A 48 106.679 -10.298 -8.136 1.00 0.00 H new ATOM 0 HB VAL A 48 106.717 -12.292 -10.459 1.00 0.00 H new ATOM 0 HG11 VAL A 48 108.688 -13.216 -9.251 1.00 0.00 H new ATOM 0 HG12 VAL A 48 108.944 -11.511 -9.690 1.00 0.00 H new ATOM 0 HG13 VAL A 48 108.523 -11.946 -8.016 1.00 0.00 H new ATOM 0 HG21 VAL A 48 106.388 -14.060 -8.744 1.00 0.00 H new ATOM 0 HG22 VAL A 48 106.190 -12.808 -7.494 1.00 0.00 H new ATOM 0 HG23 VAL A 48 104.996 -12.953 -8.806 1.00 0.00 H new ATOM 770 N THR A 49 108.035 -8.875 -9.655 1.00 0.00 N ATOM 771 CA THR A 49 108.632 -7.792 -10.506 1.00 0.00 C ATOM 772 C THR A 49 109.332 -8.373 -11.740 1.00 0.00 C ATOM 773 O THR A 49 109.481 -7.701 -12.744 1.00 0.00 O ATOM 774 CB THR A 49 109.640 -7.065 -9.609 1.00 0.00 C ATOM 775 OG1 THR A 49 110.589 -8.000 -9.116 1.00 0.00 O ATOM 776 CG2 THR A 49 108.910 -6.405 -8.436 1.00 0.00 C ATOM 0 H THR A 49 108.428 -8.951 -8.717 1.00 0.00 H new ATOM 0 HA THR A 49 107.861 -7.118 -10.880 1.00 0.00 H new ATOM 0 HB THR A 49 110.151 -6.296 -10.188 1.00 0.00 H new ATOM 0 HG1 THR A 49 110.210 -8.477 -8.348 1.00 0.00 H new ATOM 0 HG21 THR A 49 109.632 -5.890 -7.802 1.00 0.00 H new ATOM 0 HG22 THR A 49 108.184 -5.687 -8.817 1.00 0.00 H new ATOM 0 HG23 THR A 49 108.394 -7.168 -7.853 1.00 0.00 H new ATOM 784 N LYS A 50 109.764 -9.610 -11.677 1.00 0.00 N ATOM 785 CA LYS A 50 110.541 -10.199 -12.820 1.00 0.00 C ATOM 786 C LYS A 50 109.723 -10.156 -14.116 1.00 0.00 C ATOM 787 O LYS A 50 110.275 -10.147 -15.201 1.00 0.00 O ATOM 788 CB LYS A 50 110.837 -11.655 -12.422 1.00 0.00 C ATOM 789 CG LYS A 50 111.727 -11.702 -11.171 1.00 0.00 C ATOM 790 CD LYS A 50 111.870 -13.153 -10.704 1.00 0.00 C ATOM 791 CE LYS A 50 112.625 -13.188 -9.374 1.00 0.00 C ATOM 792 NZ LYS A 50 113.100 -14.594 -9.240 1.00 0.00 N ATOM 0 H LYS A 50 109.614 -10.238 -10.887 1.00 0.00 H new ATOM 0 HA LYS A 50 111.457 -9.637 -13.006 1.00 0.00 H new ATOM 0 HB2 LYS A 50 109.903 -12.183 -12.230 1.00 0.00 H new ATOM 0 HB3 LYS A 50 111.331 -12.170 -13.246 1.00 0.00 H new ATOM 0 HG2 LYS A 50 112.708 -11.281 -11.393 1.00 0.00 H new ATOM 0 HG3 LYS A 50 111.291 -11.094 -10.378 1.00 0.00 H new ATOM 0 HD2 LYS A 50 110.886 -13.608 -10.588 1.00 0.00 H new ATOM 0 HD3 LYS A 50 112.405 -13.737 -11.453 1.00 0.00 H new ATOM 0 HE2 LYS A 50 113.460 -12.487 -9.375 1.00 0.00 H new ATOM 0 HE3 LYS A 50 111.976 -12.909 -8.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 113.628 -14.699 -8.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 112.283 -15.237 -9.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 113.721 -14.828 -10.041 1.00 0.00 H new ATOM 806 N ASP A 51 108.414 -10.131 -14.013 1.00 0.00 N ATOM 807 CA ASP A 51 107.573 -9.995 -15.245 1.00 0.00 C ATOM 808 C ASP A 51 107.323 -8.514 -15.591 1.00 0.00 C ATOM 809 O ASP A 51 106.489 -8.209 -16.424 1.00 0.00 O ATOM 810 CB ASP A 51 106.254 -10.730 -14.946 1.00 0.00 C ATOM 811 CG ASP A 51 105.539 -10.118 -13.732 1.00 0.00 C ATOM 812 OD1 ASP A 51 105.346 -8.913 -13.720 1.00 0.00 O ATOM 813 OD2 ASP A 51 105.192 -10.870 -12.837 1.00 0.00 O ATOM 0 H ASP A 51 107.896 -10.198 -13.137 1.00 0.00 H new ATOM 0 HA ASP A 51 108.074 -10.425 -16.112 1.00 0.00 H new ATOM 0 HB2 ASP A 51 105.602 -10.681 -15.818 1.00 0.00 H new ATOM 0 HB3 ASP A 51 106.457 -11.784 -14.758 1.00 0.00 H new ATOM 818 N ILE A 52 108.031 -7.595 -14.964 1.00 0.00 N ATOM 819 CA ILE A 52 107.931 -6.157 -15.386 1.00 0.00 C ATOM 820 C ILE A 52 108.753 -5.934 -16.659 1.00 0.00 C ATOM 821 O ILE A 52 109.967 -6.026 -16.646 1.00 0.00 O ATOM 822 CB ILE A 52 108.506 -5.334 -14.217 1.00 0.00 C ATOM 823 CG1 ILE A 52 107.625 -5.523 -12.972 1.00 0.00 C ATOM 824 CG2 ILE A 52 108.553 -3.841 -14.599 1.00 0.00 C ATOM 825 CD1 ILE A 52 108.282 -4.843 -11.763 1.00 0.00 C ATOM 0 H ILE A 52 108.666 -7.778 -14.187 1.00 0.00 H new ATOM 0 HA ILE A 52 106.904 -5.865 -15.605 1.00 0.00 H new ATOM 0 HB ILE A 52 109.517 -5.678 -14.000 1.00 0.00 H new ATOM 0 HG12 ILE A 52 106.636 -5.099 -13.147 1.00 0.00 H new ATOM 0 HG13 ILE A 52 107.485 -6.585 -12.772 1.00 0.00 H new ATOM 0 HG21 ILE A 52 108.961 -3.265 -13.768 1.00 0.00 H new ATOM 0 HG22 ILE A 52 109.186 -3.710 -15.476 1.00 0.00 H new ATOM 0 HG23 ILE A 52 107.545 -3.491 -14.823 1.00 0.00 H new ATOM 0 HD11 ILE A 52 107.654 -4.980 -10.883 1.00 0.00 H new ATOM 0 HD12 ILE A 52 109.261 -5.288 -11.583 1.00 0.00 H new ATOM 0 HD13 ILE A 52 108.399 -3.778 -11.964 1.00 0.00 H new ATOM 837 N LYS A 53 108.096 -5.644 -17.755 1.00 0.00 N ATOM 838 CA LYS A 53 108.839 -5.237 -18.989 1.00 0.00 C ATOM 839 C LYS A 53 109.230 -3.758 -18.904 1.00 0.00 C ATOM 840 O LYS A 53 110.311 -3.374 -19.310 1.00 0.00 O ATOM 841 CB LYS A 53 107.872 -5.469 -20.150 1.00 0.00 C ATOM 842 CG LYS A 53 108.606 -5.267 -21.479 1.00 0.00 C ATOM 843 CD LYS A 53 107.668 -5.604 -22.639 1.00 0.00 C ATOM 844 CE LYS A 53 106.660 -4.469 -22.829 1.00 0.00 C ATOM 845 NZ LYS A 53 107.377 -3.451 -23.646 1.00 0.00 N ATOM 0 H LYS A 53 107.081 -5.671 -17.849 1.00 0.00 H new ATOM 0 HA LYS A 53 109.759 -5.807 -19.116 1.00 0.00 H new ATOM 0 HB2 LYS A 53 107.462 -6.478 -20.099 1.00 0.00 H new ATOM 0 HB3 LYS A 53 107.031 -4.779 -20.079 1.00 0.00 H new ATOM 0 HG2 LYS A 53 108.949 -4.236 -21.563 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.491 -5.902 -21.517 1.00 0.00 H new ATOM 0 HD2 LYS A 53 108.242 -5.751 -23.554 1.00 0.00 H new ATOM 0 HD3 LYS A 53 107.145 -6.539 -22.437 1.00 0.00 H new ATOM 0 HE2 LYS A 53 105.761 -4.820 -23.336 1.00 0.00 H new ATOM 0 HE3 LYS A 53 106.345 -4.056 -21.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 106.783 -3.172 -24.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 107.580 -2.616 -23.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 108.270 -3.853 -23.996 1.00 0.00 H new ATOM 859 N ASP A 54 108.357 -2.930 -18.377 1.00 0.00 N ATOM 860 CA ASP A 54 108.640 -1.453 -18.352 1.00 0.00 C ATOM 861 C ASP A 54 107.900 -0.778 -17.196 1.00 0.00 C ATOM 862 O ASP A 54 106.847 -1.222 -16.783 1.00 0.00 O ATOM 863 CB ASP A 54 108.126 -0.911 -19.688 1.00 0.00 C ATOM 864 CG ASP A 54 109.031 -1.391 -20.825 1.00 0.00 C ATOM 865 OD1 ASP A 54 110.236 -1.242 -20.700 1.00 0.00 O ATOM 866 OD2 ASP A 54 108.504 -1.896 -21.802 1.00 0.00 O ATOM 0 H ASP A 54 107.466 -3.208 -17.965 1.00 0.00 H new ATOM 0 HA ASP A 54 109.703 -1.256 -18.211 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.103 -1.248 -19.858 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.103 0.179 -19.664 1.00 0.00 H new ATOM 871 N LEU A 55 108.446 0.298 -16.675 1.00 0.00 N ATOM 872 CA LEU A 55 107.822 0.972 -15.493 1.00 0.00 C ATOM 873 C LEU A 55 107.670 2.477 -15.740 1.00 0.00 C ATOM 874 O LEU A 55 108.504 3.100 -16.371 1.00 0.00 O ATOM 875 CB LEU A 55 108.796 0.732 -14.338 1.00 0.00 C ATOM 876 CG LEU A 55 108.652 -0.702 -13.831 1.00 0.00 C ATOM 877 CD1 LEU A 55 109.959 -1.147 -13.171 1.00 0.00 C ATOM 878 CD2 LEU A 55 107.518 -0.770 -12.805 1.00 0.00 C ATOM 0 H LEU A 55 109.299 0.738 -17.020 1.00 0.00 H new ATOM 0 HA LEU A 55 106.825 0.581 -15.289 1.00 0.00 H new ATOM 0 HB2 LEU A 55 109.819 0.909 -14.670 1.00 0.00 H new ATOM 0 HB3 LEU A 55 108.597 1.435 -13.530 1.00 0.00 H new ATOM 0 HG LEU A 55 108.426 -1.360 -14.670 1.00 0.00 H new ATOM 0 HD11 LEU A 55 109.854 -2.170 -12.810 1.00 0.00 H new ATOM 0 HD12 LEU A 55 110.769 -1.100 -13.899 1.00 0.00 H new ATOM 0 HD13 LEU A 55 110.186 -0.488 -12.333 1.00 0.00 H new ATOM 0 HD21 LEU A 55 107.415 -1.793 -12.443 1.00 0.00 H new ATOM 0 HD22 LEU A 55 107.745 -0.110 -11.968 1.00 0.00 H new ATOM 0 HD23 LEU A 55 106.585 -0.455 -13.272 1.00 0.00 H new ATOM 890 N ARG A 56 106.604 3.060 -15.243 1.00 0.00 N ATOM 891 CA ARG A 56 106.455 4.548 -15.292 1.00 0.00 C ATOM 892 C ARG A 56 105.663 5.036 -14.071 1.00 0.00 C ATOM 893 O ARG A 56 104.943 4.275 -13.449 1.00 0.00 O ATOM 894 CB ARG A 56 105.696 4.841 -16.597 1.00 0.00 C ATOM 895 CG ARG A 56 104.292 4.222 -16.551 1.00 0.00 C ATOM 896 CD ARG A 56 103.540 4.553 -17.842 1.00 0.00 C ATOM 897 NE ARG A 56 104.220 3.761 -18.918 1.00 0.00 N ATOM 898 CZ ARG A 56 103.650 3.566 -20.092 1.00 0.00 C ATOM 899 NH1 ARG A 56 102.465 4.056 -20.372 1.00 0.00 N ATOM 900 NH2 ARG A 56 104.280 2.868 -20.997 1.00 0.00 N ATOM 0 H ARG A 56 105.828 2.565 -14.804 1.00 0.00 H new ATOM 0 HA ARG A 56 107.416 5.061 -15.270 1.00 0.00 H new ATOM 0 HB2 ARG A 56 105.621 5.918 -16.747 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.250 4.439 -17.445 1.00 0.00 H new ATOM 0 HG2 ARG A 56 104.364 3.141 -16.428 1.00 0.00 H new ATOM 0 HG3 ARG A 56 103.743 4.605 -15.691 1.00 0.00 H new ATOM 0 HD2 ARG A 56 102.487 4.283 -17.763 1.00 0.00 H new ATOM 0 HD3 ARG A 56 103.580 5.621 -18.056 1.00 0.00 H new ATOM 0 HE ARG A 56 105.143 3.365 -18.739 1.00 0.00 H new ATOM 0 HH11 ARG A 56 101.961 4.603 -19.674 1.00 0.00 H new ATOM 0 HH12 ARG A 56 102.048 3.890 -21.288 1.00 0.00 H new ATOM 0 HH21 ARG A 56 105.201 2.481 -20.793 1.00 0.00 H new ATOM 0 HH22 ARG A 56 103.851 2.709 -21.909 1.00 0.00 H new ATOM 914 N ILE A 57 105.793 6.293 -13.728 1.00 0.00 N ATOM 915 CA ILE A 57 104.967 6.863 -12.617 1.00 0.00 C ATOM 916 C ILE A 57 103.991 7.897 -13.190 1.00 0.00 C ATOM 917 O ILE A 57 104.380 8.783 -13.930 1.00 0.00 O ATOM 918 CB ILE A 57 105.967 7.523 -11.652 1.00 0.00 C ATOM 919 CG1 ILE A 57 106.972 6.476 -11.146 1.00 0.00 C ATOM 920 CG2 ILE A 57 105.213 8.111 -10.453 1.00 0.00 C ATOM 921 CD1 ILE A 57 108.104 7.168 -10.381 1.00 0.00 C ATOM 0 H ILE A 57 106.436 6.951 -14.169 1.00 0.00 H new ATOM 0 HA ILE A 57 104.374 6.105 -12.105 1.00 0.00 H new ATOM 0 HB ILE A 57 106.499 8.315 -12.179 1.00 0.00 H new ATOM 0 HG12 ILE A 57 106.468 5.759 -10.498 1.00 0.00 H new ATOM 0 HG13 ILE A 57 107.380 5.914 -11.986 1.00 0.00 H new ATOM 0 HG21 ILE A 57 105.923 8.578 -9.770 1.00 0.00 H new ATOM 0 HG22 ILE A 57 104.500 8.858 -10.802 1.00 0.00 H new ATOM 0 HG23 ILE A 57 104.679 7.315 -9.933 1.00 0.00 H new ATOM 0 HD11 ILE A 57 108.813 6.420 -10.025 1.00 0.00 H new ATOM 0 HD12 ILE A 57 108.616 7.867 -11.042 1.00 0.00 H new ATOM 0 HD13 ILE A 57 107.690 7.710 -9.530 1.00 0.00 H new ATOM 933 N LEU A 58 102.729 7.789 -12.852 1.00 0.00 N ATOM 934 CA LEU A 58 101.703 8.699 -13.457 1.00 0.00 C ATOM 935 C LEU A 58 101.772 10.087 -12.801 1.00 0.00 C ATOM 936 O LEU A 58 102.215 10.206 -11.675 1.00 0.00 O ATOM 937 CB LEU A 58 100.346 8.040 -13.179 1.00 0.00 C ATOM 938 CG LEU A 58 100.272 6.675 -13.874 1.00 0.00 C ATOM 939 CD1 LEU A 58 99.003 5.945 -13.428 1.00 0.00 C ATOM 940 CD2 LEU A 58 100.240 6.867 -15.393 1.00 0.00 C ATOM 0 H LEU A 58 102.364 7.111 -12.184 1.00 0.00 H new ATOM 0 HA LEU A 58 101.867 8.840 -14.525 1.00 0.00 H new ATOM 0 HB2 LEU A 58 100.205 7.918 -12.105 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.541 8.683 -13.535 1.00 0.00 H new ATOM 0 HG LEU A 58 101.149 6.086 -13.604 1.00 0.00 H new ATOM 0 HD11 LEU A 58 98.949 4.975 -13.921 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.026 5.802 -12.348 1.00 0.00 H new ATOM 0 HD13 LEU A 58 98.129 6.538 -13.697 1.00 0.00 H new ATOM 0 HD21 LEU A 58 100.187 5.894 -15.882 1.00 0.00 H new ATOM 0 HD22 LEU A 58 99.366 7.458 -15.667 1.00 0.00 H new ATOM 0 HD23 LEU A 58 101.144 7.386 -15.713 1.00 0.00 H new