USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=11 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=-0.00424 X(o=-0.33,f=-0.33) USER MOD Set 1.2: A 36 GLN : amide:sc= -0.33 K(o=-0.33,f=-6.5!) USER MOD Set 2.1: A 17 ASN : amide:sc= 0.376 K(o=1.3,f=-7.7!) USER MOD Set 2.2: A 19 SER OG : rot -65:sc= 0.965 USER MOD Single : A 9 SER OG : rot 180:sc= -1.58! USER MOD Single : A 10 ASN : amide:sc= -4.49! C(o=-4.5!,f=-5.7!) USER MOD Single : A 16 ASN : amide:sc= -1.13 K(o=-1.1,f=-4.2!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -63:sc= 0.703 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0025 USER MOD Single : A 32 ASN : amide:sc= -0.0463 X(o=-0.046,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.616 K(o=-0.62,f=-4!) 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 11:sc= 1.09 USER MOD Single : A 49 THR OG1 : rot -84:sc= 0.211 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.0481) USER MOD ----------------------------------------------------------------- ATOM 151 N GLY A 8 102.740 3.024 -1.504 1.00 0.00 N ATOM 152 CA GLY A 8 101.552 3.932 -1.510 1.00 0.00 C ATOM 153 C GLY A 8 101.583 4.857 -2.739 1.00 0.00 C ATOM 154 O GLY A 8 100.683 5.654 -2.931 1.00 0.00 O ATOM 0 HA2 GLY A 8 100.636 3.341 -1.516 1.00 0.00 H new ATOM 0 HA3 GLY A 8 101.540 4.530 -0.599 1.00 0.00 H new ATOM 158 N SER A 9 102.600 4.764 -3.569 1.00 0.00 N ATOM 159 CA SER A 9 102.663 5.640 -4.782 1.00 0.00 C ATOM 160 C SER A 9 101.915 4.981 -5.945 1.00 0.00 C ATOM 161 O SER A 9 101.818 3.771 -6.021 1.00 0.00 O ATOM 162 CB SER A 9 104.152 5.779 -5.107 1.00 0.00 C ATOM 163 OG SER A 9 104.647 4.542 -5.601 1.00 0.00 O ATOM 0 H SER A 9 103.384 4.122 -3.457 1.00 0.00 H new ATOM 0 HA SER A 9 102.198 6.611 -4.612 1.00 0.00 H new ATOM 0 HB2 SER A 9 104.302 6.565 -5.848 1.00 0.00 H new ATOM 0 HB3 SER A 9 104.704 6.073 -4.214 1.00 0.00 H new ATOM 0 HG SER A 9 105.600 4.631 -5.811 1.00 0.00 H new ATOM 169 N ASN A 10 101.388 5.771 -6.848 1.00 0.00 N ATOM 170 CA ASN A 10 100.674 5.196 -8.030 1.00 0.00 C ATOM 171 C ASN A 10 101.624 5.121 -9.226 1.00 0.00 C ATOM 172 O ASN A 10 102.073 6.131 -9.737 1.00 0.00 O ATOM 173 CB ASN A 10 99.529 6.169 -8.321 1.00 0.00 C ATOM 174 CG ASN A 10 98.531 6.155 -7.162 1.00 0.00 C ATOM 175 OD1 ASN A 10 98.877 6.476 -6.042 1.00 0.00 O ATOM 176 ND2 ASN A 10 97.296 5.796 -7.385 1.00 0.00 N ATOM 0 H ASN A 10 101.422 6.790 -6.817 1.00 0.00 H new ATOM 0 HA ASN A 10 100.310 4.186 -7.841 1.00 0.00 H new ATOM 0 HB2 ASN A 10 99.922 7.176 -8.463 1.00 0.00 H new ATOM 0 HB3 ASN A 10 99.028 5.889 -9.248 1.00 0.00 H new ATOM 0 HD21 ASN A 10 96.622 5.785 -6.620 1.00 0.00 H new ATOM 0 HD22 ASN A 10 97.005 5.527 -8.325 1.00 0.00 H new ATOM 183 N VAL A 11 101.929 3.929 -9.671 1.00 0.00 N ATOM 184 CA VAL A 11 102.819 3.766 -10.863 1.00 0.00 C ATOM 185 C VAL A 11 102.164 2.819 -11.872 1.00 0.00 C ATOM 186 O VAL A 11 101.292 2.044 -11.521 1.00 0.00 O ATOM 187 CB VAL A 11 104.134 3.172 -10.327 1.00 0.00 C ATOM 188 CG1 VAL A 11 104.798 4.173 -9.380 1.00 0.00 C ATOM 189 CG2 VAL A 11 103.866 1.863 -9.570 1.00 0.00 C ATOM 0 H VAL A 11 101.599 3.056 -9.259 1.00 0.00 H new ATOM 0 HA VAL A 11 102.997 4.711 -11.376 1.00 0.00 H new ATOM 0 HB VAL A 11 104.791 2.964 -11.171 1.00 0.00 H new ATOM 0 HG11 VAL A 11 105.729 3.752 -9.000 1.00 0.00 H new ATOM 0 HG12 VAL A 11 105.010 5.097 -9.918 1.00 0.00 H new ATOM 0 HG13 VAL A 11 104.129 4.384 -8.546 1.00 0.00 H new ATOM 0 HG21 VAL A 11 104.807 1.458 -9.199 1.00 0.00 H new ATOM 0 HG22 VAL A 11 103.199 2.058 -8.731 1.00 0.00 H new ATOM 0 HG23 VAL A 11 103.401 1.142 -10.243 1.00 0.00 H new ATOM 199 N GLU A 12 102.574 2.874 -13.115 1.00 0.00 N ATOM 200 CA GLU A 12 102.064 1.893 -14.118 1.00 0.00 C ATOM 201 C GLU A 12 103.230 1.071 -14.673 1.00 0.00 C ATOM 202 O GLU A 12 104.333 1.561 -14.817 1.00 0.00 O ATOM 203 CB GLU A 12 101.417 2.745 -15.216 1.00 0.00 C ATOM 204 CG GLU A 12 100.825 1.840 -16.304 1.00 0.00 C ATOM 205 CD GLU A 12 100.186 2.702 -17.394 1.00 0.00 C ATOM 206 OE1 GLU A 12 99.221 3.385 -17.091 1.00 0.00 O ATOM 207 OE2 GLU A 12 100.672 2.665 -18.512 1.00 0.00 O ATOM 0 H GLU A 12 103.240 3.556 -13.477 1.00 0.00 H new ATOM 0 HA GLU A 12 101.352 1.186 -13.693 1.00 0.00 H new ATOM 0 HB2 GLU A 12 100.635 3.372 -14.788 1.00 0.00 H new ATOM 0 HB3 GLU A 12 102.158 3.414 -15.652 1.00 0.00 H new ATOM 0 HG2 GLU A 12 101.605 1.212 -16.733 1.00 0.00 H new ATOM 0 HG3 GLU A 12 100.080 1.172 -15.871 1.00 0.00 H new ATOM 214 N VAL A 13 102.989 -0.178 -14.981 1.00 0.00 N ATOM 215 CA VAL A 13 104.072 -1.041 -15.542 1.00 0.00 C ATOM 216 C VAL A 13 103.551 -1.801 -16.764 1.00 0.00 C ATOM 217 O VAL A 13 102.408 -2.219 -16.795 1.00 0.00 O ATOM 218 CB VAL A 13 104.445 -2.013 -14.404 1.00 0.00 C ATOM 219 CG1 VAL A 13 103.275 -2.956 -14.089 1.00 0.00 C ATOM 220 CG2 VAL A 13 105.659 -2.849 -14.823 1.00 0.00 C ATOM 0 H VAL A 13 102.086 -0.638 -14.868 1.00 0.00 H new ATOM 0 HA VAL A 13 104.936 -0.465 -15.872 1.00 0.00 H new ATOM 0 HB VAL A 13 104.679 -1.428 -13.514 1.00 0.00 H new ATOM 0 HG11 VAL A 13 103.560 -3.633 -13.284 1.00 0.00 H new ATOM 0 HG12 VAL A 13 102.408 -2.371 -13.782 1.00 0.00 H new ATOM 0 HG13 VAL A 13 103.025 -3.535 -14.978 1.00 0.00 H new ATOM 0 HG21 VAL A 13 105.923 -3.536 -14.019 1.00 0.00 H new ATOM 0 HG22 VAL A 13 105.417 -3.417 -15.721 1.00 0.00 H new ATOM 0 HG23 VAL A 13 106.502 -2.189 -15.028 1.00 0.00 H new ATOM 230 N LEU A 14 104.373 -1.981 -17.766 1.00 0.00 N ATOM 231 CA LEU A 14 104.012 -2.958 -18.836 1.00 0.00 C ATOM 232 C LEU A 14 104.629 -4.309 -18.511 1.00 0.00 C ATOM 233 O LEU A 14 105.778 -4.394 -18.118 1.00 0.00 O ATOM 234 CB LEU A 14 104.597 -2.442 -20.157 1.00 0.00 C ATOM 235 CG LEU A 14 104.129 -1.012 -20.503 1.00 0.00 C ATOM 236 CD1 LEU A 14 104.091 -0.869 -22.025 1.00 0.00 C ATOM 237 CD2 LEU A 14 102.725 -0.728 -19.959 1.00 0.00 C ATOM 0 H LEU A 14 105.265 -1.502 -17.889 1.00 0.00 H new ATOM 0 HA LEU A 14 102.930 -3.065 -18.909 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.685 -2.458 -20.098 1.00 0.00 H new ATOM 0 HB3 LEU A 14 104.312 -3.117 -20.963 1.00 0.00 H new ATOM 0 HG LEU A 14 104.825 -0.306 -20.049 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.762 0.136 -22.288 1.00 0.00 H new ATOM 0 HD12 LEU A 14 105.087 -1.043 -22.432 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.397 -1.599 -22.442 1.00 0.00 H new ATOM 0 HD21 LEU A 14 102.431 0.288 -20.223 1.00 0.00 H new ATOM 0 HD22 LEU A 14 102.017 -1.435 -20.392 1.00 0.00 H new ATOM 0 HD23 LEU A 14 102.727 -0.835 -18.874 1.00 0.00 H new ATOM 249 N LEU A 15 103.878 -5.362 -18.670 1.00 0.00 N ATOM 250 CA LEU A 15 104.461 -6.720 -18.473 1.00 0.00 C ATOM 251 C LEU A 15 105.088 -7.213 -19.780 1.00 0.00 C ATOM 252 O LEU A 15 104.982 -6.574 -20.810 1.00 0.00 O ATOM 253 CB LEU A 15 103.290 -7.614 -18.057 1.00 0.00 C ATOM 254 CG LEU A 15 102.771 -7.179 -16.685 1.00 0.00 C ATOM 255 CD1 LEU A 15 101.439 -7.875 -16.399 1.00 0.00 C ATOM 256 CD2 LEU A 15 103.787 -7.567 -15.608 1.00 0.00 C ATOM 0 H LEU A 15 102.891 -5.343 -18.926 1.00 0.00 H new ATOM 0 HA LEU A 15 105.249 -6.725 -17.720 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.491 -7.550 -18.796 1.00 0.00 H new ATOM 0 HB3 LEU A 15 103.610 -8.656 -18.022 1.00 0.00 H new ATOM 0 HG LEU A 15 102.627 -6.099 -16.678 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.069 -7.565 -15.422 1.00 0.00 H new ATOM 0 HD12 LEU A 15 100.714 -7.601 -17.165 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.584 -8.955 -16.406 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.417 -7.257 -14.631 1.00 0.00 H new ATOM 0 HD22 LEU A 15 103.931 -8.647 -15.616 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.738 -7.073 -15.810 1.00 0.00 H new ATOM 268 N ASN A 16 105.741 -8.350 -19.740 1.00 0.00 N ATOM 269 CA ASN A 16 106.472 -8.872 -20.950 1.00 0.00 C ATOM 270 C ASN A 16 105.533 -9.020 -22.158 1.00 0.00 C ATOM 271 O ASN A 16 105.976 -9.061 -23.291 1.00 0.00 O ATOM 272 CB ASN A 16 107.038 -10.241 -20.532 1.00 0.00 C ATOM 273 CG ASN A 16 105.905 -11.179 -20.096 1.00 0.00 C ATOM 274 OD1 ASN A 16 105.005 -11.461 -20.861 1.00 0.00 O ATOM 275 ND2 ASN A 16 105.915 -11.674 -18.889 1.00 0.00 N ATOM 0 H ASN A 16 105.802 -8.947 -18.916 1.00 0.00 H new ATOM 0 HA ASN A 16 107.257 -8.183 -21.261 1.00 0.00 H new ATOM 0 HB2 ASN A 16 107.586 -10.684 -21.364 1.00 0.00 H new ATOM 0 HB3 ASN A 16 107.748 -10.114 -19.715 1.00 0.00 H new ATOM 0 HD21 ASN A 16 105.167 -12.298 -18.588 1.00 0.00 H new ATOM 0 HD22 ASN A 16 106.671 -11.437 -18.247 1.00 0.00 H new ATOM 282 N ASN A 17 104.244 -9.101 -21.925 1.00 0.00 N ATOM 283 CA ASN A 17 103.280 -9.279 -23.056 1.00 0.00 C ATOM 284 C ASN A 17 102.736 -7.922 -23.538 1.00 0.00 C ATOM 285 O ASN A 17 101.673 -7.856 -24.128 1.00 0.00 O ATOM 286 CB ASN A 17 102.152 -10.160 -22.492 1.00 0.00 C ATOM 287 CG ASN A 17 101.431 -9.457 -21.331 1.00 0.00 C ATOM 288 OD1 ASN A 17 101.929 -8.496 -20.778 1.00 0.00 O ATOM 289 ND2 ASN A 17 100.270 -9.904 -20.936 1.00 0.00 N ATOM 0 H ASN A 17 103.818 -9.051 -20.999 1.00 0.00 H new ATOM 0 HA ASN A 17 103.754 -9.738 -23.924 1.00 0.00 H new ATOM 0 HB2 ASN A 17 101.437 -10.391 -23.282 1.00 0.00 H new ATOM 0 HB3 ASN A 17 102.564 -11.108 -22.148 1.00 0.00 H new ATOM 0 HD21 ASN A 17 99.783 -9.447 -20.165 1.00 0.00 H new ATOM 0 HD22 ASN A 17 99.850 -10.710 -21.398 1.00 0.00 H new ATOM 296 N ASP A 18 103.453 -6.838 -23.290 1.00 0.00 N ATOM 297 CA ASP A 18 103.044 -5.491 -23.824 1.00 0.00 C ATOM 298 C ASP A 18 101.638 -5.115 -23.335 1.00 0.00 C ATOM 299 O ASP A 18 100.938 -4.352 -23.974 1.00 0.00 O ATOM 300 CB ASP A 18 103.070 -5.610 -25.357 1.00 0.00 C ATOM 301 CG ASP A 18 104.499 -5.894 -25.830 1.00 0.00 C ATOM 302 OD1 ASP A 18 105.412 -5.282 -25.298 1.00 0.00 O ATOM 303 OD2 ASP A 18 104.655 -6.719 -26.714 1.00 0.00 O ATOM 0 H ASP A 18 104.310 -6.833 -22.736 1.00 0.00 H new ATOM 0 HA ASP A 18 103.719 -4.709 -23.476 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.404 -6.410 -25.680 1.00 0.00 H new ATOM 0 HB3 ASP A 18 102.704 -4.688 -25.809 1.00 0.00 H new ATOM 308 N SER A 19 101.224 -5.648 -22.207 1.00 0.00 N ATOM 309 CA SER A 19 99.960 -5.178 -21.571 1.00 0.00 C ATOM 310 C SER A 19 100.299 -4.234 -20.417 1.00 0.00 C ATOM 311 O SER A 19 101.289 -4.417 -19.733 1.00 0.00 O ATOM 312 CB SER A 19 99.276 -6.444 -21.053 1.00 0.00 C ATOM 313 OG SER A 19 100.036 -6.987 -19.982 1.00 0.00 O ATOM 0 H SER A 19 101.711 -6.389 -21.703 1.00 0.00 H new ATOM 0 HA SER A 19 99.316 -4.634 -22.262 1.00 0.00 H new ATOM 0 HB2 SER A 19 98.266 -6.213 -20.716 1.00 0.00 H new ATOM 0 HB3 SER A 19 99.184 -7.176 -21.856 1.00 0.00 H new ATOM 0 HG SER A 19 100.909 -7.282 -20.317 1.00 0.00 H new ATOM 319 N LYS A 20 99.488 -3.230 -20.196 1.00 0.00 N ATOM 320 CA LYS A 20 99.835 -2.198 -19.172 1.00 0.00 C ATOM 321 C LYS A 20 98.911 -2.305 -17.952 1.00 0.00 C ATOM 322 O LYS A 20 97.738 -2.608 -18.074 1.00 0.00 O ATOM 323 CB LYS A 20 99.657 -0.841 -19.880 1.00 0.00 C ATOM 324 CG LYS A 20 98.200 -0.647 -20.330 1.00 0.00 C ATOM 325 CD LYS A 20 98.012 0.784 -20.838 1.00 0.00 C ATOM 326 CE LYS A 20 98.699 0.939 -22.197 1.00 0.00 C ATOM 327 NZ LYS A 20 98.623 2.395 -22.502 1.00 0.00 N ATOM 0 H LYS A 20 98.602 -3.081 -20.679 1.00 0.00 H new ATOM 0 HA LYS A 20 100.851 -2.327 -18.798 1.00 0.00 H new ATOM 0 HB2 LYS A 20 99.945 -0.034 -19.206 1.00 0.00 H new ATOM 0 HB3 LYS A 20 100.319 -0.787 -20.744 1.00 0.00 H new ATOM 0 HG2 LYS A 20 97.953 -1.360 -21.117 1.00 0.00 H new ATOM 0 HG3 LYS A 20 97.522 -0.842 -19.499 1.00 0.00 H new ATOM 0 HD2 LYS A 20 96.950 1.013 -20.928 1.00 0.00 H new ATOM 0 HD3 LYS A 20 98.431 1.493 -20.124 1.00 0.00 H new ATOM 0 HE2 LYS A 20 99.733 0.597 -22.158 1.00 0.00 H new ATOM 0 HE3 LYS A 20 98.197 0.348 -22.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 99.074 2.581 -23.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 97.627 2.690 -22.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 99.115 2.931 -21.759 1.00 0.00 H new ATOM 341 N ALA A 21 99.442 -2.059 -16.779 1.00 0.00 N ATOM 342 CA ALA A 21 98.592 -2.029 -15.549 1.00 0.00 C ATOM 343 C ALA A 21 99.053 -0.900 -14.622 1.00 0.00 C ATOM 344 O ALA A 21 100.235 -0.633 -14.503 1.00 0.00 O ATOM 345 CB ALA A 21 98.807 -3.389 -14.885 1.00 0.00 C ATOM 0 H ALA A 21 100.433 -1.877 -16.621 1.00 0.00 H new ATOM 0 HA ALA A 21 97.541 -1.849 -15.775 1.00 0.00 H new ATOM 0 HB1 ALA A 21 98.215 -3.446 -13.972 1.00 0.00 H new ATOM 0 HB2 ALA A 21 98.498 -4.180 -15.568 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.862 -3.512 -14.641 1.00 0.00 H new ATOM 351 N ARG A 22 98.129 -0.236 -13.966 1.00 0.00 N ATOM 352 CA ARG A 22 98.507 0.908 -13.077 1.00 0.00 C ATOM 353 C ARG A 22 97.723 0.850 -11.764 1.00 0.00 C ATOM 354 O ARG A 22 96.571 0.461 -11.741 1.00 0.00 O ATOM 355 CB ARG A 22 98.158 2.180 -13.870 1.00 0.00 C ATOM 356 CG ARG A 22 96.661 2.210 -14.207 1.00 0.00 C ATOM 357 CD ARG A 22 96.377 3.364 -15.173 1.00 0.00 C ATOM 358 NE ARG A 22 94.889 3.385 -15.329 1.00 0.00 N ATOM 359 CZ ARG A 22 94.101 3.875 -14.389 1.00 0.00 C ATOM 360 NH1 ARG A 22 94.584 4.354 -13.265 1.00 0.00 N ATOM 361 NH2 ARG A 22 92.811 3.880 -14.580 1.00 0.00 N ATOM 0 H ARG A 22 97.130 -0.438 -14.009 1.00 0.00 H new ATOM 0 HA ARG A 22 99.563 0.882 -12.810 1.00 0.00 H new ATOM 0 HB2 ARG A 22 98.423 3.063 -13.288 1.00 0.00 H new ATOM 0 HB3 ARG A 22 98.744 2.215 -14.788 1.00 0.00 H new ATOM 0 HG2 ARG A 22 96.360 1.264 -14.656 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.075 2.332 -13.296 1.00 0.00 H new ATOM 0 HD2 ARG A 22 96.745 4.310 -14.776 1.00 0.00 H new ATOM 0 HD3 ARG A 22 96.872 3.207 -16.131 1.00 0.00 H new ATOM 0 HE ARG A 22 94.473 3.012 -16.182 1.00 0.00 H new ATOM 0 HH11 ARG A 22 95.591 4.354 -13.101 1.00 0.00 H new ATOM 0 HH12 ARG A 22 93.952 4.726 -12.556 1.00 0.00 H new ATOM 0 HH21 ARG A 22 92.422 3.509 -15.447 1.00 0.00 H new ATOM 0 HH22 ARG A 22 92.191 4.255 -13.863 1.00 0.00 H new ATOM 375 N GLY A 23 98.346 1.236 -10.677 1.00 0.00 N ATOM 376 CA GLY A 23 97.645 1.220 -9.358 1.00 0.00 C ATOM 377 C GLY A 23 98.609 1.688 -8.266 1.00 0.00 C ATOM 378 O GLY A 23 99.704 2.138 -8.551 1.00 0.00 O ATOM 0 H GLY A 23 99.312 1.562 -10.648 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.771 1.870 -9.390 1.00 0.00 H new ATOM 0 HA3 GLY A 23 97.287 0.215 -9.136 1.00 0.00 H new ATOM 382 N VAL A 24 98.213 1.585 -7.020 1.00 0.00 N ATOM 383 CA VAL A 24 99.091 2.061 -5.905 1.00 0.00 C ATOM 384 C VAL A 24 99.956 0.900 -5.401 1.00 0.00 C ATOM 385 O VAL A 24 99.490 -0.212 -5.258 1.00 0.00 O ATOM 386 CB VAL A 24 98.135 2.547 -4.800 1.00 0.00 C ATOM 387 CG1 VAL A 24 98.943 3.076 -3.609 1.00 0.00 C ATOM 388 CG2 VAL A 24 97.242 3.675 -5.333 1.00 0.00 C ATOM 0 H VAL A 24 97.319 1.191 -6.727 1.00 0.00 H new ATOM 0 HA VAL A 24 99.765 2.857 -6.221 1.00 0.00 H new ATOM 0 HB VAL A 24 97.515 1.708 -4.484 1.00 0.00 H new ATOM 0 HG11 VAL A 24 98.261 3.418 -2.830 1.00 0.00 H new ATOM 0 HG12 VAL A 24 99.574 2.279 -3.215 1.00 0.00 H new ATOM 0 HG13 VAL A 24 99.569 3.907 -3.934 1.00 0.00 H new ATOM 0 HG21 VAL A 24 96.570 4.011 -4.543 1.00 0.00 H new ATOM 0 HG22 VAL A 24 97.864 4.508 -5.659 1.00 0.00 H new ATOM 0 HG23 VAL A 24 96.656 3.308 -6.176 1.00 0.00 H new ATOM 398 N ILE A 25 101.210 1.156 -5.132 1.00 0.00 N ATOM 399 CA ILE A 25 102.114 0.073 -4.623 1.00 0.00 C ATOM 400 C ILE A 25 101.857 -0.165 -3.129 1.00 0.00 C ATOM 401 O ILE A 25 101.671 0.767 -2.369 1.00 0.00 O ATOM 402 CB ILE A 25 103.542 0.599 -4.869 1.00 0.00 C ATOM 403 CG1 ILE A 25 103.793 0.682 -6.380 1.00 0.00 C ATOM 404 CG2 ILE A 25 104.586 -0.332 -4.228 1.00 0.00 C ATOM 405 CD1 ILE A 25 105.050 1.515 -6.649 1.00 0.00 C ATOM 0 H ILE A 25 101.651 2.069 -5.242 1.00 0.00 H new ATOM 0 HA ILE A 25 101.950 -0.882 -5.122 1.00 0.00 H new ATOM 0 HB ILE A 25 103.635 1.586 -4.417 1.00 0.00 H new ATOM 0 HG12 ILE A 25 103.913 -0.319 -6.794 1.00 0.00 H new ATOM 0 HG13 ILE A 25 102.934 1.132 -6.877 1.00 0.00 H new ATOM 0 HG21 ILE A 25 105.586 0.059 -4.415 1.00 0.00 H new ATOM 0 HG22 ILE A 25 104.413 -0.388 -3.153 1.00 0.00 H new ATOM 0 HG23 ILE A 25 104.500 -1.328 -4.661 1.00 0.00 H new ATOM 0 HD11 ILE A 25 105.226 1.572 -7.723 1.00 0.00 H new ATOM 0 HD12 ILE A 25 104.913 2.520 -6.250 1.00 0.00 H new ATOM 0 HD13 ILE A 25 105.907 1.047 -6.166 1.00 0.00 H new ATOM 417 N THR A 26 101.846 -1.411 -2.709 1.00 0.00 N ATOM 418 CA THR A 26 101.592 -1.719 -1.268 1.00 0.00 C ATOM 419 C THR A 26 102.716 -2.576 -0.667 1.00 0.00 C ATOM 420 O THR A 26 103.070 -2.404 0.485 1.00 0.00 O ATOM 421 CB THR A 26 100.270 -2.487 -1.250 1.00 0.00 C ATOM 422 OG1 THR A 26 100.341 -3.572 -2.164 1.00 0.00 O ATOM 423 CG2 THR A 26 99.127 -1.552 -1.652 1.00 0.00 C ATOM 0 H THR A 26 102.002 -2.225 -3.304 1.00 0.00 H new ATOM 0 HA THR A 26 101.552 -0.808 -0.670 1.00 0.00 H new ATOM 0 HB THR A 26 100.086 -2.869 -0.246 1.00 0.00 H new ATOM 0 HG1 THR A 26 100.454 -3.226 -3.074 1.00 0.00 H new ATOM 0 HG21 THR A 26 98.186 -2.101 -1.639 1.00 0.00 H new ATOM 0 HG22 THR A 26 99.072 -0.721 -0.949 1.00 0.00 H new ATOM 0 HG23 THR A 26 99.308 -1.167 -2.655 1.00 0.00 H new ATOM 431 N ASN A 27 103.284 -3.494 -1.424 1.00 0.00 N ATOM 432 CA ASN A 27 104.267 -4.448 -0.820 1.00 0.00 C ATOM 433 C ASN A 27 105.481 -4.639 -1.732 1.00 0.00 C ATOM 434 O ASN A 27 105.376 -4.575 -2.941 1.00 0.00 O ATOM 435 CB ASN A 27 103.499 -5.762 -0.670 1.00 0.00 C ATOM 436 CG ASN A 27 104.312 -6.734 0.188 1.00 0.00 C ATOM 437 OD1 ASN A 27 104.894 -7.671 -0.322 1.00 0.00 O ATOM 438 ND2 ASN A 27 104.378 -6.549 1.478 1.00 0.00 N ATOM 0 H ASN A 27 103.109 -3.620 -2.421 1.00 0.00 H new ATOM 0 HA ASN A 27 104.653 -4.082 0.131 1.00 0.00 H new ATOM 0 HB2 ASN A 27 102.529 -5.578 -0.209 1.00 0.00 H new ATOM 0 HB3 ASN A 27 103.308 -6.198 -1.651 1.00 0.00 H new ATOM 0 HD21 ASN A 27 104.918 -7.191 2.058 1.00 0.00 H new ATOM 0 HD22 ASN A 27 103.890 -5.763 1.906 1.00 0.00 H new ATOM 445 N PHE A 28 106.630 -4.871 -1.146 1.00 0.00 N ATOM 446 CA PHE A 28 107.847 -5.203 -1.947 1.00 0.00 C ATOM 447 C PHE A 28 108.760 -6.126 -1.138 1.00 0.00 C ATOM 448 O PHE A 28 109.064 -5.858 0.010 1.00 0.00 O ATOM 449 CB PHE A 28 108.530 -3.862 -2.212 1.00 0.00 C ATOM 450 CG PHE A 28 109.644 -3.947 -3.227 1.00 0.00 C ATOM 451 CD1 PHE A 28 109.342 -4.195 -4.589 1.00 0.00 C ATOM 452 CD2 PHE A 28 110.989 -3.776 -2.820 1.00 0.00 C ATOM 453 CE1 PHE A 28 110.387 -4.273 -5.542 1.00 0.00 C ATOM 454 CE2 PHE A 28 112.033 -3.854 -3.773 1.00 0.00 C ATOM 455 CZ PHE A 28 111.732 -4.103 -5.135 1.00 0.00 C ATOM 0 H PHE A 28 106.777 -4.844 -0.137 1.00 0.00 H new ATOM 0 HA PHE A 28 107.608 -5.720 -2.876 1.00 0.00 H new ATOM 0 HB2 PHE A 28 107.785 -3.146 -2.560 1.00 0.00 H new ATOM 0 HB3 PHE A 28 108.931 -3.475 -1.275 1.00 0.00 H new ATOM 0 HD1 PHE A 28 108.316 -4.324 -4.900 1.00 0.00 H new ATOM 0 HD2 PHE A 28 111.219 -3.586 -1.782 1.00 0.00 H new ATOM 0 HE1 PHE A 28 110.157 -4.462 -6.580 1.00 0.00 H new ATOM 0 HE2 PHE A 28 113.059 -3.724 -3.462 1.00 0.00 H new ATOM 0 HZ PHE A 28 112.528 -4.163 -5.862 1.00 0.00 H new ATOM 465 N ASP A 29 109.197 -7.209 -1.730 1.00 0.00 N ATOM 466 CA ASP A 29 110.032 -8.199 -0.984 1.00 0.00 C ATOM 467 C ASP A 29 111.377 -8.389 -1.688 1.00 0.00 C ATOM 468 O ASP A 29 111.429 -8.757 -2.845 1.00 0.00 O ATOM 469 CB ASP A 29 109.224 -9.499 -1.011 1.00 0.00 C ATOM 470 CG ASP A 29 109.872 -10.528 -0.081 1.00 0.00 C ATOM 471 OD1 ASP A 29 110.252 -10.151 1.016 1.00 0.00 O ATOM 472 OD2 ASP A 29 109.975 -11.675 -0.482 1.00 0.00 O ATOM 0 H ASP A 29 109.010 -7.451 -2.703 1.00 0.00 H new ATOM 0 HA ASP A 29 110.248 -7.875 0.034 1.00 0.00 H new ATOM 0 HB2 ASP A 29 108.198 -9.307 -0.698 1.00 0.00 H new ATOM 0 HB3 ASP A 29 109.180 -9.890 -2.027 1.00 0.00 H new ATOM 477 N SER A 30 112.460 -8.139 -0.993 1.00 0.00 N ATOM 478 CA SER A 30 113.814 -8.287 -1.618 1.00 0.00 C ATOM 479 C SER A 30 114.149 -9.766 -1.853 1.00 0.00 C ATOM 480 O SER A 30 114.926 -10.097 -2.729 1.00 0.00 O ATOM 481 CB SER A 30 114.794 -7.673 -0.616 1.00 0.00 C ATOM 482 OG SER A 30 114.842 -8.482 0.552 1.00 0.00 O ATOM 0 H SER A 30 112.466 -7.838 -0.018 1.00 0.00 H new ATOM 0 HA SER A 30 113.861 -7.796 -2.590 1.00 0.00 H new ATOM 0 HB2 SER A 30 115.786 -7.597 -1.061 1.00 0.00 H new ATOM 0 HB3 SER A 30 114.482 -6.661 -0.358 1.00 0.00 H new ATOM 0 HG SER A 30 115.470 -8.092 1.195 1.00 0.00 H new ATOM 488 N SER A 31 113.569 -10.657 -1.078 1.00 0.00 N ATOM 489 CA SER A 31 113.908 -12.115 -1.209 1.00 0.00 C ATOM 490 C SER A 31 113.550 -12.635 -2.606 1.00 0.00 C ATOM 491 O SER A 31 114.353 -13.274 -3.261 1.00 0.00 O ATOM 492 CB SER A 31 113.067 -12.826 -0.146 1.00 0.00 C ATOM 493 OG SER A 31 113.313 -12.232 1.122 1.00 0.00 O ATOM 0 H SER A 31 112.877 -10.438 -0.362 1.00 0.00 H new ATOM 0 HA SER A 31 114.975 -12.291 -1.072 1.00 0.00 H new ATOM 0 HB2 SER A 31 112.008 -12.754 -0.395 1.00 0.00 H new ATOM 0 HB3 SER A 31 113.316 -13.887 -0.118 1.00 0.00 H new ATOM 0 HG SER A 31 112.775 -12.684 1.805 1.00 0.00 H new ATOM 499 N ASN A 32 112.351 -12.364 -3.064 1.00 0.00 N ATOM 500 CA ASN A 32 111.934 -12.831 -4.425 1.00 0.00 C ATOM 501 C ASN A 32 111.469 -11.657 -5.301 1.00 0.00 C ATOM 502 O ASN A 32 110.918 -11.860 -6.368 1.00 0.00 O ATOM 503 CB ASN A 32 110.774 -13.795 -4.170 1.00 0.00 C ATOM 504 CG ASN A 32 111.294 -15.046 -3.459 1.00 0.00 C ATOM 505 OD1 ASN A 32 110.785 -15.427 -2.423 1.00 0.00 O ATOM 506 ND2 ASN A 32 112.294 -15.708 -3.975 1.00 0.00 N ATOM 0 H ASN A 32 111.642 -11.838 -2.553 1.00 0.00 H new ATOM 0 HA ASN A 32 112.760 -13.301 -4.958 1.00 0.00 H new ATOM 0 HB2 ASN A 32 110.011 -13.309 -3.562 1.00 0.00 H new ATOM 0 HB3 ASN A 32 110.302 -14.070 -5.113 1.00 0.00 H new ATOM 0 HD21 ASN A 32 112.647 -16.544 -3.509 1.00 0.00 H new ATOM 0 HD22 ASN A 32 112.722 -15.390 -4.844 1.00 0.00 H new ATOM 513 N SER A 33 111.682 -10.427 -4.866 1.00 0.00 N ATOM 514 CA SER A 33 111.228 -9.227 -5.654 1.00 0.00 C ATOM 515 C SER A 33 109.743 -9.351 -6.039 1.00 0.00 C ATOM 516 O SER A 33 109.399 -9.484 -7.201 1.00 0.00 O ATOM 517 CB SER A 33 112.120 -9.198 -6.901 1.00 0.00 C ATOM 518 OG SER A 33 113.476 -9.381 -6.514 1.00 0.00 O ATOM 0 H SER A 33 112.156 -10.204 -3.990 1.00 0.00 H new ATOM 0 HA SER A 33 111.315 -8.307 -5.076 1.00 0.00 H new ATOM 0 HB2 SER A 33 111.819 -9.982 -7.596 1.00 0.00 H new ATOM 0 HB3 SER A 33 112.004 -8.248 -7.423 1.00 0.00 H new ATOM 0 HG SER A 33 114.048 -9.365 -7.309 1.00 0.00 H new ATOM 524 N ILE A 34 108.867 -9.308 -5.064 1.00 0.00 N ATOM 525 CA ILE A 34 107.403 -9.444 -5.353 1.00 0.00 C ATOM 526 C ILE A 34 106.686 -8.132 -5.014 1.00 0.00 C ATOM 527 O ILE A 34 106.899 -7.553 -3.966 1.00 0.00 O ATOM 528 CB ILE A 34 106.905 -10.587 -4.448 1.00 0.00 C ATOM 529 CG1 ILE A 34 107.748 -11.864 -4.666 1.00 0.00 C ATOM 530 CG2 ILE A 34 105.433 -10.887 -4.758 1.00 0.00 C ATOM 531 CD1 ILE A 34 107.667 -12.350 -6.126 1.00 0.00 C ATOM 0 H ILE A 34 109.102 -9.184 -4.079 1.00 0.00 H new ATOM 0 HA ILE A 34 107.208 -9.659 -6.404 1.00 0.00 H new ATOM 0 HB ILE A 34 107.007 -10.274 -3.409 1.00 0.00 H new ATOM 0 HG12 ILE A 34 108.787 -11.665 -4.405 1.00 0.00 H new ATOM 0 HG13 ILE A 34 107.397 -12.651 -3.999 1.00 0.00 H new ATOM 0 HG21 ILE A 34 105.084 -11.696 -4.116 1.00 0.00 H new ATOM 0 HG22 ILE A 34 104.834 -9.995 -4.576 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.334 -11.184 -5.802 1.00 0.00 H new ATOM 0 HD11 ILE A 34 108.271 -13.250 -6.244 1.00 0.00 H new ATOM 0 HD12 ILE A 34 106.630 -12.573 -6.378 1.00 0.00 H new ATOM 0 HD13 ILE A 34 108.042 -11.571 -6.790 1.00 0.00 H new ATOM 543 N LEU A 35 105.837 -7.665 -5.898 1.00 0.00 N ATOM 544 CA LEU A 35 105.190 -6.330 -5.704 1.00 0.00 C ATOM 545 C LEU A 35 103.667 -6.468 -5.754 1.00 0.00 C ATOM 546 O LEU A 35 103.114 -6.991 -6.704 1.00 0.00 O ATOM 547 CB LEU A 35 105.694 -5.488 -6.880 1.00 0.00 C ATOM 548 CG LEU A 35 105.213 -4.043 -6.731 1.00 0.00 C ATOM 549 CD1 LEU A 35 106.168 -3.275 -5.814 1.00 0.00 C ATOM 550 CD2 LEU A 35 105.183 -3.377 -8.109 1.00 0.00 C ATOM 0 H LEU A 35 105.563 -8.155 -6.750 1.00 0.00 H new ATOM 0 HA LEU A 35 105.432 -5.882 -4.740 1.00 0.00 H new ATOM 0 HB2 LEU A 35 106.783 -5.516 -6.918 1.00 0.00 H new ATOM 0 HB3 LEU A 35 105.332 -5.906 -7.819 1.00 0.00 H new ATOM 0 HG LEU A 35 104.213 -4.035 -6.297 1.00 0.00 H new ATOM 0 HD11 LEU A 35 105.823 -2.246 -5.709 1.00 0.00 H new ATOM 0 HD12 LEU A 35 106.193 -3.751 -4.834 1.00 0.00 H new ATOM 0 HD13 LEU A 35 107.169 -3.280 -6.245 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.841 -2.347 -8.008 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.184 -3.386 -8.539 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.502 -3.923 -8.762 1.00 0.00 H new ATOM 562 N GLN A 36 102.992 -6.000 -4.733 1.00 0.00 N ATOM 563 CA GLN A 36 101.500 -5.984 -4.759 1.00 0.00 C ATOM 564 C GLN A 36 101.003 -4.574 -5.075 1.00 0.00 C ATOM 565 O GLN A 36 101.421 -3.610 -4.458 1.00 0.00 O ATOM 566 CB GLN A 36 101.070 -6.405 -3.355 1.00 0.00 C ATOM 567 CG GLN A 36 101.402 -7.882 -3.140 1.00 0.00 C ATOM 568 CD GLN A 36 100.990 -8.299 -1.727 1.00 0.00 C ATOM 569 OE1 GLN A 36 101.722 -8.087 -0.780 1.00 0.00 O ATOM 570 NE2 GLN A 36 99.840 -8.889 -1.543 1.00 0.00 N ATOM 0 H GLN A 36 103.413 -5.628 -3.882 1.00 0.00 H new ATOM 0 HA GLN A 36 101.090 -6.648 -5.520 1.00 0.00 H new ATOM 0 HB2 GLN A 36 101.579 -5.795 -2.609 1.00 0.00 H new ATOM 0 HB3 GLN A 36 100.000 -6.239 -3.226 1.00 0.00 H new ATOM 0 HG2 GLN A 36 100.881 -8.493 -3.877 1.00 0.00 H new ATOM 0 HG3 GLN A 36 102.469 -8.050 -3.283 1.00 0.00 H new ATOM 0 HE21 GLN A 36 99.225 -9.067 -2.337 1.00 0.00 H new ATOM 0 HE22 GLN A 36 99.556 -9.172 -0.605 1.00 0.00 H new ATOM 579 N LEU A 37 100.115 -4.452 -6.031 1.00 0.00 N ATOM 580 CA LEU A 37 99.551 -3.112 -6.375 1.00 0.00 C ATOM 581 C LEU A 37 98.079 -3.044 -5.968 1.00 0.00 C ATOM 582 O LEU A 37 97.261 -3.815 -6.438 1.00 0.00 O ATOM 583 CB LEU A 37 99.689 -2.995 -7.895 1.00 0.00 C ATOM 584 CG LEU A 37 101.140 -2.679 -8.262 1.00 0.00 C ATOM 585 CD1 LEU A 37 101.365 -2.974 -9.747 1.00 0.00 C ATOM 586 CD2 LEU A 37 101.424 -1.199 -7.993 1.00 0.00 C ATOM 0 H LEU A 37 99.756 -5.226 -6.589 1.00 0.00 H new ATOM 0 HA LEU A 37 100.067 -2.303 -5.858 1.00 0.00 H new ATOM 0 HB2 LEU A 37 99.379 -3.926 -8.370 1.00 0.00 H new ATOM 0 HB3 LEU A 37 99.031 -2.211 -8.270 1.00 0.00 H new ATOM 0 HG LEU A 37 101.808 -3.295 -7.660 1.00 0.00 H new ATOM 0 HD11 LEU A 37 102.399 -2.749 -10.010 1.00 0.00 H new ATOM 0 HD12 LEU A 37 101.161 -4.027 -9.944 1.00 0.00 H new ATOM 0 HD13 LEU A 37 100.696 -2.357 -10.346 1.00 0.00 H new ATOM 0 HD21 LEU A 37 102.458 -0.974 -8.254 1.00 0.00 H new ATOM 0 HD22 LEU A 37 100.755 -0.585 -8.596 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.262 -0.983 -6.937 1.00 0.00 H new ATOM 598 N ARG A 38 97.740 -2.126 -5.100 1.00 0.00 N ATOM 599 CA ARG A 38 96.308 -1.951 -4.705 1.00 0.00 C ATOM 600 C ARG A 38 95.671 -0.839 -5.543 1.00 0.00 C ATOM 601 O ARG A 38 96.151 0.279 -5.571 1.00 0.00 O ATOM 602 CB ARG A 38 96.344 -1.567 -3.225 1.00 0.00 C ATOM 603 CG ARG A 38 94.918 -1.528 -2.667 1.00 0.00 C ATOM 604 CD ARG A 38 94.954 -1.087 -1.200 1.00 0.00 C ATOM 605 NE ARG A 38 93.541 -1.204 -0.716 1.00 0.00 N ATOM 606 CZ ARG A 38 93.141 -0.606 0.390 1.00 0.00 C ATOM 607 NH1 ARG A 38 93.963 0.112 1.122 1.00 0.00 N ATOM 608 NH2 ARG A 38 91.900 -0.735 0.770 1.00 0.00 N ATOM 0 H ARG A 38 98.394 -1.488 -4.646 1.00 0.00 H new ATOM 0 HA ARG A 38 95.717 -2.852 -4.869 1.00 0.00 H new ATOM 0 HB2 ARG A 38 96.944 -2.286 -2.667 1.00 0.00 H new ATOM 0 HB3 ARG A 38 96.819 -0.594 -3.103 1.00 0.00 H new ATOM 0 HG2 ARG A 38 94.307 -0.839 -3.250 1.00 0.00 H new ATOM 0 HG3 ARG A 38 94.457 -2.512 -2.751 1.00 0.00 H new ATOM 0 HD2 ARG A 38 95.623 -1.719 -0.616 1.00 0.00 H new ATOM 0 HD3 ARG A 38 95.318 -0.064 -1.106 1.00 0.00 H new ATOM 0 HE ARG A 38 92.874 -1.758 -1.253 1.00 0.00 H new ATOM 0 HH11 ARG A 38 94.937 0.218 0.840 1.00 0.00 H new ATOM 0 HH12 ARG A 38 93.627 0.563 1.973 1.00 0.00 H new ATOM 0 HH21 ARG A 38 91.252 -1.293 0.214 1.00 0.00 H new ATOM 0 HH22 ARG A 38 91.578 -0.278 1.623 1.00 0.00 H new ATOM 622 N LEU A 39 94.593 -1.141 -6.223 1.00 0.00 N ATOM 623 CA LEU A 39 93.988 -0.149 -7.163 1.00 0.00 C ATOM 624 C LEU A 39 92.755 0.513 -6.536 1.00 0.00 C ATOM 625 O LEU A 39 92.037 -0.095 -5.760 1.00 0.00 O ATOM 626 CB LEU A 39 93.606 -0.969 -8.400 1.00 0.00 C ATOM 627 CG LEU A 39 93.252 -0.042 -9.574 1.00 0.00 C ATOM 628 CD1 LEU A 39 94.452 0.839 -9.936 1.00 0.00 C ATOM 629 CD2 LEU A 39 92.892 -0.898 -10.786 1.00 0.00 C ATOM 0 H LEU A 39 94.105 -2.035 -6.167 1.00 0.00 H new ATOM 0 HA LEU A 39 94.674 0.662 -7.407 1.00 0.00 H new ATOM 0 HB2 LEU A 39 94.433 -1.621 -8.681 1.00 0.00 H new ATOM 0 HB3 LEU A 39 92.757 -1.613 -8.169 1.00 0.00 H new ATOM 0 HG LEU A 39 92.414 0.593 -9.287 1.00 0.00 H new ATOM 0 HD11 LEU A 39 94.187 1.490 -10.769 1.00 0.00 H new ATOM 0 HD12 LEU A 39 94.730 1.446 -9.075 1.00 0.00 H new ATOM 0 HD13 LEU A 39 95.293 0.208 -10.222 1.00 0.00 H new ATOM 0 HD21 LEU A 39 92.639 -0.251 -11.626 1.00 0.00 H new ATOM 0 HD22 LEU A 39 93.742 -1.525 -11.054 1.00 0.00 H new ATOM 0 HD23 LEU A 39 92.037 -1.530 -10.544 1.00 0.00 H new ATOM 641 N ALA A 40 92.510 1.757 -6.879 1.00 0.00 N ATOM 642 CA ALA A 40 91.407 2.537 -6.223 1.00 0.00 C ATOM 643 C ALA A 40 90.021 1.953 -6.543 1.00 0.00 C ATOM 644 O ALA A 40 89.027 2.380 -5.984 1.00 0.00 O ATOM 645 CB ALA A 40 91.524 3.955 -6.789 1.00 0.00 C ATOM 0 H ALA A 40 93.030 2.270 -7.591 1.00 0.00 H new ATOM 0 HA ALA A 40 91.504 2.508 -5.138 1.00 0.00 H new ATOM 0 HB1 ALA A 40 90.748 4.585 -6.355 1.00 0.00 H new ATOM 0 HB2 ALA A 40 92.504 4.365 -6.544 1.00 0.00 H new ATOM 0 HB3 ALA A 40 91.403 3.926 -7.872 1.00 0.00 H new ATOM 651 N ASN A 41 89.937 0.987 -7.432 1.00 0.00 N ATOM 652 CA ASN A 41 88.622 0.322 -7.707 1.00 0.00 C ATOM 653 C ASN A 41 88.378 -0.844 -6.729 1.00 0.00 C ATOM 654 O ASN A 41 87.708 -1.802 -7.066 1.00 0.00 O ATOM 655 CB ASN A 41 88.739 -0.209 -9.139 1.00 0.00 C ATOM 656 CG ASN A 41 88.791 0.966 -10.119 1.00 0.00 C ATOM 657 OD1 ASN A 41 89.394 1.983 -9.836 1.00 0.00 O ATOM 658 ND2 ASN A 41 88.179 0.869 -11.267 1.00 0.00 N ATOM 0 H ASN A 41 90.722 0.632 -7.978 1.00 0.00 H new ATOM 0 HA ASN A 41 87.788 1.013 -7.584 1.00 0.00 H new ATOM 0 HB2 ASN A 41 89.636 -0.819 -9.239 1.00 0.00 H new ATOM 0 HB3 ASN A 41 87.889 -0.851 -9.370 1.00 0.00 H new ATOM 0 HD21 ASN A 41 88.207 1.646 -11.927 1.00 0.00 H new ATOM 0 HD22 ASN A 41 87.673 0.016 -11.505 1.00 0.00 H new ATOM 665 N ASP A 42 88.914 -0.776 -5.517 1.00 0.00 N ATOM 666 CA ASP A 42 88.683 -1.863 -4.502 1.00 0.00 C ATOM 667 C ASP A 42 89.236 -3.202 -5.012 1.00 0.00 C ATOM 668 O ASP A 42 88.751 -4.255 -4.641 1.00 0.00 O ATOM 669 CB ASP A 42 87.162 -1.950 -4.310 1.00 0.00 C ATOM 670 CG ASP A 42 86.854 -2.662 -2.992 1.00 0.00 C ATOM 671 OD1 ASP A 42 86.728 -3.876 -3.012 1.00 0.00 O ATOM 672 OD2 ASP A 42 86.749 -1.983 -1.984 1.00 0.00 O ATOM 0 H ASP A 42 89.503 -0.009 -5.192 1.00 0.00 H new ATOM 0 HA ASP A 42 89.191 -1.643 -3.563 1.00 0.00 H new ATOM 0 HB2 ASP A 42 86.728 -0.950 -4.306 1.00 0.00 H new ATOM 0 HB3 ASP A 42 86.710 -2.490 -5.142 1.00 0.00 H new ATOM 677 N SER A 43 90.246 -3.170 -5.859 1.00 0.00 N ATOM 678 CA SER A 43 90.849 -4.443 -6.358 1.00 0.00 C ATOM 679 C SER A 43 92.332 -4.505 -5.984 1.00 0.00 C ATOM 680 O SER A 43 93.029 -3.509 -6.020 1.00 0.00 O ATOM 681 CB SER A 43 90.680 -4.393 -7.876 1.00 0.00 C ATOM 682 OG SER A 43 89.295 -4.327 -8.192 1.00 0.00 O ATOM 0 H SER A 43 90.673 -2.318 -6.221 1.00 0.00 H new ATOM 0 HA SER A 43 90.375 -5.324 -5.925 1.00 0.00 H new ATOM 0 HB2 SER A 43 91.200 -3.526 -8.283 1.00 0.00 H new ATOM 0 HB3 SER A 43 91.127 -5.276 -8.333 1.00 0.00 H new ATOM 0 HG SER A 43 89.183 -4.293 -9.165 1.00 0.00 H new ATOM 688 N THR A 44 92.814 -5.670 -5.625 1.00 0.00 N ATOM 689 CA THR A 44 94.256 -5.814 -5.250 1.00 0.00 C ATOM 690 C THR A 44 94.894 -6.969 -6.030 1.00 0.00 C ATOM 691 O THR A 44 94.252 -7.965 -6.309 1.00 0.00 O ATOM 692 CB THR A 44 94.259 -6.099 -3.738 1.00 0.00 C ATOM 693 OG1 THR A 44 95.598 -6.249 -3.291 1.00 0.00 O ATOM 694 CG2 THR A 44 93.472 -7.381 -3.428 1.00 0.00 C ATOM 0 H THR A 44 92.269 -6.531 -5.575 1.00 0.00 H new ATOM 0 HA THR A 44 94.834 -4.921 -5.487 1.00 0.00 H new ATOM 0 HB THR A 44 93.785 -5.264 -3.223 1.00 0.00 H new ATOM 0 HG1 THR A 44 95.603 -6.429 -2.328 1.00 0.00 H new ATOM 0 HG21 THR A 44 93.486 -7.566 -2.354 1.00 0.00 H new ATOM 0 HG22 THR A 44 92.441 -7.265 -3.763 1.00 0.00 H new ATOM 0 HG23 THR A 44 93.930 -8.223 -3.947 1.00 0.00 H new ATOM 702 N LYS A 45 96.149 -6.838 -6.383 1.00 0.00 N ATOM 703 CA LYS A 45 96.825 -7.906 -7.179 1.00 0.00 C ATOM 704 C LYS A 45 98.287 -8.050 -6.753 1.00 0.00 C ATOM 705 O LYS A 45 98.957 -7.076 -6.463 1.00 0.00 O ATOM 706 CB LYS A 45 96.735 -7.436 -8.631 1.00 0.00 C ATOM 707 CG LYS A 45 95.312 -7.654 -9.146 1.00 0.00 C ATOM 708 CD LYS A 45 95.267 -7.396 -10.655 1.00 0.00 C ATOM 709 CE LYS A 45 95.401 -5.894 -10.921 1.00 0.00 C ATOM 710 NZ LYS A 45 95.671 -5.786 -12.381 1.00 0.00 N ATOM 0 H LYS A 45 96.735 -6.035 -6.153 1.00 0.00 H new ATOM 0 HA LYS A 45 96.359 -8.880 -7.034 1.00 0.00 H new ATOM 0 HB2 LYS A 45 97.002 -6.381 -8.701 1.00 0.00 H new ATOM 0 HB3 LYS A 45 97.446 -7.986 -9.248 1.00 0.00 H new ATOM 0 HG2 LYS A 45 94.989 -8.673 -8.931 1.00 0.00 H new ATOM 0 HG3 LYS A 45 94.622 -6.985 -8.632 1.00 0.00 H new ATOM 0 HD2 LYS A 45 96.073 -7.937 -11.151 1.00 0.00 H new ATOM 0 HD3 LYS A 45 94.330 -7.767 -11.070 1.00 0.00 H new ATOM 0 HE2 LYS A 45 94.490 -5.362 -10.647 1.00 0.00 H new ATOM 0 HE3 LYS A 45 96.212 -5.460 -10.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 95.775 -4.785 -12.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 96.547 -6.297 -12.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 94.879 -6.201 -12.912 1.00 0.00 H new ATOM 724 N SER A 46 98.781 -9.264 -6.716 1.00 0.00 N ATOM 725 CA SER A 46 100.221 -9.489 -6.386 1.00 0.00 C ATOM 726 C SER A 46 100.971 -9.965 -7.631 1.00 0.00 C ATOM 727 O SER A 46 100.665 -11.003 -8.188 1.00 0.00 O ATOM 728 CB SER A 46 100.217 -10.577 -5.314 1.00 0.00 C ATOM 729 OG SER A 46 99.748 -11.794 -5.881 1.00 0.00 O ATOM 0 H SER A 46 98.245 -10.112 -6.901 1.00 0.00 H new ATOM 0 HA SER A 46 100.716 -8.581 -6.040 1.00 0.00 H new ATOM 0 HB2 SER A 46 101.222 -10.713 -4.913 1.00 0.00 H new ATOM 0 HB3 SER A 46 99.579 -10.281 -4.481 1.00 0.00 H new ATOM 0 HG SER A 46 99.705 -11.706 -6.856 1.00 0.00 H new ATOM 735 N ILE A 47 101.951 -9.211 -8.072 1.00 0.00 N ATOM 736 CA ILE A 47 102.697 -9.587 -9.312 1.00 0.00 C ATOM 737 C ILE A 47 104.202 -9.563 -9.030 1.00 0.00 C ATOM 738 O ILE A 47 104.719 -8.605 -8.483 1.00 0.00 O ATOM 739 CB ILE A 47 102.316 -8.525 -10.358 1.00 0.00 C ATOM 740 CG1 ILE A 47 100.798 -8.543 -10.591 1.00 0.00 C ATOM 741 CG2 ILE A 47 103.027 -8.822 -11.684 1.00 0.00 C ATOM 742 CD1 ILE A 47 100.388 -7.308 -11.397 1.00 0.00 C ATOM 0 H ILE A 47 102.265 -8.350 -7.624 1.00 0.00 H new ATOM 0 HA ILE A 47 102.450 -10.589 -9.661 1.00 0.00 H new ATOM 0 HB ILE A 47 102.619 -7.545 -9.990 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.512 -9.449 -11.125 1.00 0.00 H new ATOM 0 HG13 ILE A 47 100.273 -8.557 -9.636 1.00 0.00 H new ATOM 0 HG21 ILE A 47 102.753 -8.067 -12.421 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.106 -8.805 -11.530 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.728 -9.806 -12.045 1.00 0.00 H new ATOM 0 HD11 ILE A 47 99.311 -7.322 -11.562 1.00 0.00 H new ATOM 0 HD12 ILE A 47 100.659 -6.407 -10.846 1.00 0.00 H new ATOM 0 HD13 ILE A 47 100.902 -7.314 -12.358 1.00 0.00 H new ATOM 754 N VAL A 48 104.903 -10.605 -9.401 1.00 0.00 N ATOM 755 CA VAL A 48 106.383 -10.631 -9.181 1.00 0.00 C ATOM 756 C VAL A 48 107.056 -9.668 -10.166 1.00 0.00 C ATOM 757 O VAL A 48 106.719 -9.629 -11.331 1.00 0.00 O ATOM 758 CB VAL A 48 106.833 -12.081 -9.439 1.00 0.00 C ATOM 759 CG1 VAL A 48 108.325 -12.224 -9.110 1.00 0.00 C ATOM 760 CG2 VAL A 48 106.012 -13.055 -8.573 1.00 0.00 C ATOM 0 H VAL A 48 104.516 -11.437 -9.846 1.00 0.00 H new ATOM 0 HA VAL A 48 106.655 -10.319 -8.173 1.00 0.00 H new ATOM 0 HB VAL A 48 106.669 -12.321 -10.489 1.00 0.00 H new ATOM 0 HG11 VAL A 48 108.641 -13.251 -9.293 1.00 0.00 H new ATOM 0 HG12 VAL A 48 108.903 -11.548 -9.740 1.00 0.00 H new ATOM 0 HG13 VAL A 48 108.492 -11.974 -8.062 1.00 0.00 H new ATOM 0 HG21 VAL A 48 106.340 -14.077 -8.765 1.00 0.00 H new ATOM 0 HG22 VAL A 48 106.160 -12.818 -7.519 1.00 0.00 H new ATOM 0 HG23 VAL A 48 104.955 -12.960 -8.821 1.00 0.00 H new ATOM 770 N THR A 49 108.003 -8.895 -9.700 1.00 0.00 N ATOM 771 CA THR A 49 108.605 -7.818 -10.556 1.00 0.00 C ATOM 772 C THR A 49 109.305 -8.409 -11.786 1.00 0.00 C ATOM 773 O THR A 49 109.460 -7.743 -12.792 1.00 0.00 O ATOM 774 CB THR A 49 109.614 -7.091 -9.661 1.00 0.00 C ATOM 775 OG1 THR A 49 110.561 -8.026 -9.164 1.00 0.00 O ATOM 776 CG2 THR A 49 108.885 -6.427 -8.490 1.00 0.00 C ATOM 0 H THR A 49 108.390 -8.961 -8.759 1.00 0.00 H new ATOM 0 HA THR A 49 107.837 -7.143 -10.935 1.00 0.00 H new ATOM 0 HB THR A 49 110.127 -6.325 -10.243 1.00 0.00 H new ATOM 0 HG1 THR A 49 110.197 -8.470 -8.370 1.00 0.00 H new ATOM 0 HG21 THR A 49 109.607 -5.912 -7.857 1.00 0.00 H new ATOM 0 HG22 THR A 49 108.160 -5.708 -8.873 1.00 0.00 H new ATOM 0 HG23 THR A 49 108.368 -7.188 -7.905 1.00 0.00 H new ATOM 784 N LYS A 50 109.733 -9.646 -11.715 1.00 0.00 N ATOM 785 CA LYS A 50 110.506 -10.248 -12.854 1.00 0.00 C ATOM 786 C LYS A 50 109.696 -10.194 -14.155 1.00 0.00 C ATOM 787 O LYS A 50 110.255 -10.195 -15.237 1.00 0.00 O ATOM 788 CB LYS A 50 110.776 -11.702 -12.441 1.00 0.00 C ATOM 789 CG LYS A 50 111.716 -12.369 -13.452 1.00 0.00 C ATOM 790 CD LYS A 50 111.697 -13.884 -13.242 1.00 0.00 C ATOM 791 CE LYS A 50 112.754 -14.538 -14.134 1.00 0.00 C ATOM 792 NZ LYS A 50 113.122 -15.799 -13.433 1.00 0.00 N ATOM 0 H LYS A 50 109.582 -10.267 -10.920 1.00 0.00 H new ATOM 0 HA LYS A 50 111.431 -9.703 -13.045 1.00 0.00 H new ATOM 0 HB2 LYS A 50 111.220 -11.729 -11.446 1.00 0.00 H new ATOM 0 HB3 LYS A 50 109.837 -12.253 -12.386 1.00 0.00 H new ATOM 0 HG2 LYS A 50 111.405 -12.128 -14.468 1.00 0.00 H new ATOM 0 HG3 LYS A 50 112.729 -11.987 -13.330 1.00 0.00 H new ATOM 0 HD2 LYS A 50 111.893 -14.119 -12.196 1.00 0.00 H new ATOM 0 HD3 LYS A 50 110.710 -14.282 -13.478 1.00 0.00 H new ATOM 0 HE2 LYS A 50 112.360 -14.740 -15.130 1.00 0.00 H new ATOM 0 HE3 LYS A 50 113.621 -13.889 -14.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 113.844 -16.305 -13.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 113.500 -15.575 -12.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 112.279 -16.400 -13.333 1.00 0.00 H new ATOM 806 N ASP A 51 108.388 -10.147 -14.061 1.00 0.00 N ATOM 807 CA ASP A 51 107.555 -10.011 -15.299 1.00 0.00 C ATOM 808 C ASP A 51 107.366 -8.532 -15.687 1.00 0.00 C ATOM 809 O ASP A 51 106.591 -8.223 -16.575 1.00 0.00 O ATOM 810 CB ASP A 51 106.207 -10.684 -14.982 1.00 0.00 C ATOM 811 CG ASP A 51 105.508 -10.018 -13.784 1.00 0.00 C ATOM 812 OD1 ASP A 51 105.740 -8.845 -13.546 1.00 0.00 O ATOM 813 OD2 ASP A 51 104.747 -10.704 -13.122 1.00 0.00 O ATOM 0 H ASP A 51 107.864 -10.197 -13.187 1.00 0.00 H new ATOM 0 HA ASP A 51 108.039 -10.484 -16.153 1.00 0.00 H new ATOM 0 HB2 ASP A 51 105.559 -10.632 -15.857 1.00 0.00 H new ATOM 0 HB3 ASP A 51 106.369 -11.740 -14.768 1.00 0.00 H new ATOM 818 N ILE A 52 108.058 -7.617 -15.037 1.00 0.00 N ATOM 819 CA ILE A 52 107.982 -6.180 -15.462 1.00 0.00 C ATOM 820 C ILE A 52 108.770 -5.981 -16.760 1.00 0.00 C ATOM 821 O ILE A 52 109.982 -6.102 -16.785 1.00 0.00 O ATOM 822 CB ILE A 52 108.611 -5.369 -14.312 1.00 0.00 C ATOM 823 CG1 ILE A 52 107.737 -5.501 -13.055 1.00 0.00 C ATOM 824 CG2 ILE A 52 108.718 -3.887 -14.710 1.00 0.00 C ATOM 825 CD1 ILE A 52 108.462 -4.882 -11.853 1.00 0.00 C ATOM 0 H ILE A 52 108.665 -7.803 -14.239 1.00 0.00 H new ATOM 0 HA ILE A 52 106.957 -5.862 -15.653 1.00 0.00 H new ATOM 0 HB ILE A 52 109.609 -5.756 -14.106 1.00 0.00 H new ATOM 0 HG12 ILE A 52 106.781 -5.002 -13.211 1.00 0.00 H new ATOM 0 HG13 ILE A 52 107.520 -6.551 -12.860 1.00 0.00 H new ATOM 0 HG21 ILE A 52 109.163 -3.322 -13.891 1.00 0.00 H new ATOM 0 HG22 ILE A 52 109.343 -3.793 -15.598 1.00 0.00 H new ATOM 0 HG23 ILE A 52 107.724 -3.495 -14.923 1.00 0.00 H new ATOM 0 HD11 ILE A 52 107.839 -4.978 -10.964 1.00 0.00 H new ATOM 0 HD12 ILE A 52 109.407 -5.401 -11.692 1.00 0.00 H new ATOM 0 HD13 ILE A 52 108.656 -3.827 -12.049 1.00 0.00 H new ATOM 837 N LYS A 53 108.086 -5.676 -17.835 1.00 0.00 N ATOM 838 CA LYS A 53 108.798 -5.265 -19.086 1.00 0.00 C ATOM 839 C LYS A 53 109.210 -3.793 -18.990 1.00 0.00 C ATOM 840 O LYS A 53 110.290 -3.417 -19.409 1.00 0.00 O ATOM 841 CB LYS A 53 107.791 -5.472 -20.221 1.00 0.00 C ATOM 842 CG LYS A 53 108.457 -5.177 -21.569 1.00 0.00 C ATOM 843 CD LYS A 53 109.444 -6.295 -21.910 1.00 0.00 C ATOM 844 CE LYS A 53 110.064 -6.028 -23.283 1.00 0.00 C ATOM 845 NZ LYS A 53 111.161 -5.052 -23.025 1.00 0.00 N ATOM 0 H LYS A 53 107.068 -5.694 -17.901 1.00 0.00 H new ATOM 0 HA LYS A 53 109.706 -5.844 -19.251 1.00 0.00 H new ATOM 0 HB2 LYS A 53 107.418 -6.496 -20.206 1.00 0.00 H new ATOM 0 HB3 LYS A 53 106.931 -4.818 -20.080 1.00 0.00 H new ATOM 0 HG2 LYS A 53 107.701 -5.096 -22.350 1.00 0.00 H new ATOM 0 HG3 LYS A 53 108.977 -4.220 -21.527 1.00 0.00 H new ATOM 0 HD2 LYS A 53 110.225 -6.349 -21.151 1.00 0.00 H new ATOM 0 HD3 LYS A 53 108.933 -7.258 -21.911 1.00 0.00 H new ATOM 0 HE2 LYS A 53 110.448 -6.946 -23.728 1.00 0.00 H new ATOM 0 HE3 LYS A 53 109.328 -5.621 -23.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 111.139 -4.305 -23.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 111.033 -4.627 -22.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 112.077 -5.542 -23.061 1.00 0.00 H new ATOM 859 N ASP A 54 108.357 -2.962 -18.438 1.00 0.00 N ATOM 860 CA ASP A 54 108.664 -1.491 -18.385 1.00 0.00 C ATOM 861 C ASP A 54 107.950 -0.833 -17.204 1.00 0.00 C ATOM 862 O ASP A 54 106.945 -1.323 -16.729 1.00 0.00 O ATOM 863 CB ASP A 54 108.140 -0.914 -19.703 1.00 0.00 C ATOM 864 CG ASP A 54 109.029 -1.373 -20.860 1.00 0.00 C ATOM 865 OD1 ASP A 54 110.236 -1.245 -20.741 1.00 0.00 O ATOM 866 OD2 ASP A 54 108.487 -1.846 -21.845 1.00 0.00 O ATOM 0 H ASP A 54 107.466 -3.234 -18.023 1.00 0.00 H new ATOM 0 HA ASP A 54 109.731 -1.311 -18.255 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.113 -1.239 -19.870 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.125 0.175 -19.654 1.00 0.00 H new ATOM 871 N LEU A 55 108.464 0.279 -16.730 1.00 0.00 N ATOM 872 CA LEU A 55 107.855 0.952 -15.542 1.00 0.00 C ATOM 873 C LEU A 55 107.726 2.461 -15.774 1.00 0.00 C ATOM 874 O LEU A 55 108.571 3.074 -16.399 1.00 0.00 O ATOM 875 CB LEU A 55 108.825 0.685 -14.391 1.00 0.00 C ATOM 876 CG LEU A 55 108.589 -0.714 -13.830 1.00 0.00 C ATOM 877 CD1 LEU A 55 109.851 -1.198 -13.112 1.00 0.00 C ATOM 878 CD2 LEU A 55 107.423 -0.676 -12.838 1.00 0.00 C ATOM 0 H LEU A 55 109.282 0.749 -17.118 1.00 0.00 H new ATOM 0 HA LEU A 55 106.852 0.575 -15.340 1.00 0.00 H new ATOM 0 HB2 LEU A 55 109.853 0.778 -14.741 1.00 0.00 H new ATOM 0 HB3 LEU A 55 108.687 1.429 -13.607 1.00 0.00 H new ATOM 0 HG LEU A 55 108.352 -1.396 -14.647 1.00 0.00 H new ATOM 0 HD11 LEU A 55 109.681 -2.197 -12.712 1.00 0.00 H new ATOM 0 HD12 LEU A 55 110.682 -1.226 -13.816 1.00 0.00 H new ATOM 0 HD13 LEU A 55 110.089 -0.516 -12.296 1.00 0.00 H new ATOM 0 HD21 LEU A 55 107.254 -1.675 -12.437 1.00 0.00 H new ATOM 0 HD22 LEU A 55 107.661 0.007 -12.023 1.00 0.00 H new ATOM 0 HD23 LEU A 55 106.523 -0.332 -13.348 1.00 0.00 H new ATOM 890 N ARG A 56 106.671 3.057 -15.272 1.00 0.00 N ATOM 891 CA ARG A 56 106.559 4.547 -15.291 1.00 0.00 C ATOM 892 C ARG A 56 105.793 5.026 -14.048 1.00 0.00 C ATOM 893 O ARG A 56 105.052 4.273 -13.444 1.00 0.00 O ATOM 894 CB ARG A 56 105.794 4.878 -16.584 1.00 0.00 C ATOM 895 CG ARG A 56 104.335 4.395 -16.489 1.00 0.00 C ATOM 896 CD ARG A 56 103.834 3.957 -17.870 1.00 0.00 C ATOM 897 NE ARG A 56 103.871 5.188 -18.725 1.00 0.00 N ATOM 898 CZ ARG A 56 103.214 5.252 -19.867 1.00 0.00 C ATOM 899 NH1 ARG A 56 102.502 4.242 -20.311 1.00 0.00 N ATOM 900 NH2 ARG A 56 103.275 6.348 -20.575 1.00 0.00 N ATOM 0 H ARG A 56 105.880 2.572 -14.848 1.00 0.00 H new ATOM 0 HA ARG A 56 107.530 5.043 -15.271 1.00 0.00 H new ATOM 0 HB2 ARG A 56 105.816 5.953 -16.761 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.285 4.405 -17.435 1.00 0.00 H new ATOM 0 HG2 ARG A 56 104.264 3.564 -15.787 1.00 0.00 H new ATOM 0 HG3 ARG A 56 103.704 5.194 -16.101 1.00 0.00 H new ATOM 0 HD2 ARG A 56 104.467 3.173 -18.285 1.00 0.00 H new ATOM 0 HD3 ARG A 56 102.824 3.553 -17.810 1.00 0.00 H new ATOM 0 HE ARG A 56 104.416 5.993 -18.417 1.00 0.00 H new ATOM 0 HH11 ARG A 56 102.447 3.380 -19.769 1.00 0.00 H new ATOM 0 HH12 ARG A 56 102.004 4.320 -21.198 1.00 0.00 H new ATOM 0 HH21 ARG A 56 103.825 7.140 -20.243 1.00 0.00 H new ATOM 0 HH22 ARG A 56 102.772 6.412 -21.460 1.00 0.00 H new ATOM 914 N ILE A 57 105.970 6.267 -13.668 1.00 0.00 N ATOM 915 CA ILE A 57 105.189 6.822 -12.516 1.00 0.00 C ATOM 916 C ILE A 57 104.263 7.935 -13.017 1.00 0.00 C ATOM 917 O ILE A 57 104.688 8.838 -13.715 1.00 0.00 O ATOM 918 CB ILE A 57 106.233 7.371 -11.530 1.00 0.00 C ATOM 919 CG1 ILE A 57 107.191 6.247 -11.103 1.00 0.00 C ATOM 920 CG2 ILE A 57 105.520 7.919 -10.287 1.00 0.00 C ATOM 921 CD1 ILE A 57 108.363 6.836 -10.312 1.00 0.00 C ATOM 0 H ILE A 57 106.621 6.920 -14.104 1.00 0.00 H new ATOM 0 HA ILE A 57 104.561 6.071 -12.037 1.00 0.00 H new ATOM 0 HB ILE A 57 106.799 8.166 -12.016 1.00 0.00 H new ATOM 0 HG12 ILE A 57 106.660 5.516 -10.493 1.00 0.00 H new ATOM 0 HG13 ILE A 57 107.562 5.720 -11.982 1.00 0.00 H new ATOM 0 HG21 ILE A 57 106.258 8.309 -9.586 1.00 0.00 H new ATOM 0 HG22 ILE A 57 104.840 8.719 -10.580 1.00 0.00 H new ATOM 0 HG23 ILE A 57 104.954 7.119 -9.810 1.00 0.00 H new ATOM 0 HD11 ILE A 57 109.039 6.035 -10.012 1.00 0.00 H new ATOM 0 HD12 ILE A 57 108.901 7.550 -10.936 1.00 0.00 H new ATOM 0 HD13 ILE A 57 107.985 7.343 -9.424 1.00 0.00 H new ATOM 933 N LEU A 58 103.002 7.873 -12.664 1.00 0.00 N ATOM 934 CA LEU A 58 102.018 8.872 -13.195 1.00 0.00 C ATOM 935 C LEU A 58 102.080 10.164 -12.365 1.00 0.00 C ATOM 936 O LEU A 58 102.608 10.159 -11.269 1.00 0.00 O ATOM 937 CB LEU A 58 100.635 8.214 -13.056 1.00 0.00 C ATOM 938 CG LEU A 58 100.595 6.884 -13.820 1.00 0.00 C ATOM 939 CD1 LEU A 58 99.340 6.105 -13.423 1.00 0.00 C ATOM 940 CD2 LEU A 58 100.572 7.148 -15.329 1.00 0.00 C ATOM 0 H LEU A 58 102.610 7.175 -12.032 1.00 0.00 H new ATOM 0 HA LEU A 58 102.231 9.139 -14.230 1.00 0.00 H new ATOM 0 HB2 LEU A 58 100.411 8.042 -12.003 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.866 8.884 -13.440 1.00 0.00 H new ATOM 0 HG LEU A 58 101.483 6.303 -13.571 1.00 0.00 H new ATOM 0 HD11 LEU A 58 99.311 5.160 -13.966 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.358 5.907 -12.351 1.00 0.00 H new ATOM 0 HD13 LEU A 58 98.455 6.692 -13.669 1.00 0.00 H new ATOM 0 HD21 LEU A 58 100.544 6.199 -15.864 1.00 0.00 H new ATOM 0 HD22 LEU A 58 99.689 7.734 -15.582 1.00 0.00 H new ATOM 0 HD23 LEU A 58 101.467 7.699 -15.616 1.00 0.00 H new