USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 453 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 51 THR OG1 : rot -130:sc= -1.21 USER MOD Set 1.2: A 69 MET CE :methyl 170:sc= -3.24! (180deg=-3.71!) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0941 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 HIS : no HE2:sc= -1.51 X(o=-1.5,f=-1.3) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 MET CE :methyl -174:sc= -0.53 (180deg=-0.679) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0966 USER MOD Single : A 25 HIS : no HE2:sc= -2.39! C(o=-2.4!,f=-9.7!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot -123:sc= -4.7! USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.761 K(o=-0.76,f=-0.013) USER MOD Single : A 75 LYS NZ :NH3+ -143:sc= 0.086 (180deg=-0.154) USER MOD ----------------------------------------------------------------- ATOM 121 N PRO A 9 -19.271 9.812 34.154 1.00 0.00 N ATOM 122 CA PRO A 9 -19.268 10.352 35.528 1.00 0.00 C ATOM 123 C PRO A 9 -20.693 10.361 36.110 1.00 0.00 C ATOM 124 O PRO A 9 -20.894 10.104 37.296 1.00 0.00 O ATOM 125 CB PRO A 9 -18.729 11.776 35.351 1.00 0.00 C ATOM 126 CG PRO A 9 -18.991 12.161 33.875 1.00 0.00 C ATOM 127 CD PRO A 9 -19.152 10.841 33.097 1.00 0.00 C ATOM 0 HA PRO A 9 -18.670 9.761 36.222 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -19.230 12.468 36.028 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -17.664 11.820 35.581 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -19.888 12.774 33.788 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -18.164 12.748 33.475 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -20.035 10.860 32.458 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -18.295 10.652 32.451 1.00 0.00 H new ATOM 135 N ILE A 10 -21.680 10.640 35.293 1.00 0.00 N ATOM 136 CA ILE A 10 -23.103 10.663 35.775 1.00 0.00 C ATOM 137 C ILE A 10 -23.389 9.422 36.631 1.00 0.00 C ATOM 138 O ILE A 10 -23.911 9.524 37.741 1.00 0.00 O ATOM 139 CB ILE A 10 -24.045 10.677 34.563 1.00 0.00 C ATOM 140 CG1 ILE A 10 -23.878 11.990 33.798 1.00 0.00 C ATOM 141 CG2 ILE A 10 -25.499 10.552 35.027 1.00 0.00 C ATOM 142 CD1 ILE A 10 -24.182 11.754 32.319 1.00 0.00 C ATOM 0 H ILE A 10 -21.562 10.855 34.303 1.00 0.00 H new ATOM 0 HA ILE A 10 -23.264 11.555 36.380 1.00 0.00 H new ATOM 0 HB ILE A 10 -23.797 9.836 33.915 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -24.549 12.748 34.203 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -22.862 12.367 33.917 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -26.160 10.563 34.160 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -25.628 9.616 35.570 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -25.745 11.388 35.681 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -24.064 12.688 31.770 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -23.493 11.009 31.920 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -25.206 11.396 32.211 1.00 0.00 H new ATOM 154 N SER A 11 -23.054 8.254 36.141 1.00 0.00 N ATOM 155 CA SER A 11 -23.304 7.010 36.931 1.00 0.00 C ATOM 156 C SER A 11 -22.624 7.125 38.298 1.00 0.00 C ATOM 157 O SER A 11 -23.276 7.037 39.332 1.00 0.00 O ATOM 158 CB SER A 11 -22.746 5.793 36.184 1.00 0.00 C ATOM 159 OG SER A 11 -22.644 6.093 34.793 1.00 0.00 O ATOM 0 H SER A 11 -22.619 8.109 35.230 1.00 0.00 H new ATOM 0 HA SER A 11 -24.378 6.885 37.066 1.00 0.00 H new ATOM 0 HB2 SER A 11 -21.767 5.526 36.582 1.00 0.00 H new ATOM 0 HB3 SER A 11 -23.396 4.931 36.334 1.00 0.00 H new ATOM 0 HG SER A 11 -22.286 5.315 34.316 1.00 0.00 H new ATOM 165 N GLN A 12 -21.330 7.330 38.327 1.00 0.00 N ATOM 166 CA GLN A 12 -20.624 7.447 39.637 1.00 0.00 C ATOM 167 C GLN A 12 -21.198 8.605 40.460 1.00 0.00 C ATOM 168 O GLN A 12 -21.309 8.508 41.678 1.00 0.00 O ATOM 169 CB GLN A 12 -19.127 7.655 39.409 1.00 0.00 C ATOM 170 CG GLN A 12 -18.370 6.592 40.204 1.00 0.00 C ATOM 171 CD GLN A 12 -16.956 6.435 39.660 1.00 0.00 C ATOM 172 OE1 GLN A 12 -16.727 5.655 38.745 1.00 0.00 O ATOM 173 NE2 GLN A 12 -15.988 7.128 40.176 1.00 0.00 N ATOM 0 H GLN A 12 -20.736 7.421 37.503 1.00 0.00 H new ATOM 0 HA GLN A 12 -20.774 6.522 40.194 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -18.890 7.577 38.348 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -18.829 8.653 39.729 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -18.333 6.872 41.257 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -18.897 5.640 40.146 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -16.177 7.779 40.939 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -15.038 7.022 39.819 1.00 0.00 H new ATOM 182 N VAL A 13 -21.579 9.691 39.837 1.00 0.00 N ATOM 183 CA VAL A 13 -22.162 10.819 40.629 1.00 0.00 C ATOM 184 C VAL A 13 -23.428 10.312 41.324 1.00 0.00 C ATOM 185 O VAL A 13 -23.630 10.537 42.514 1.00 0.00 O ATOM 186 CB VAL A 13 -22.511 12.005 39.714 1.00 0.00 C ATOM 187 CG1 VAL A 13 -22.944 13.199 40.566 1.00 0.00 C ATOM 188 CG2 VAL A 13 -21.291 12.411 38.890 1.00 0.00 C ATOM 0 H VAL A 13 -21.514 9.846 38.831 1.00 0.00 H new ATOM 0 HA VAL A 13 -21.434 11.163 41.363 1.00 0.00 H new ATOM 0 HB VAL A 13 -23.319 11.705 39.047 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -23.191 14.039 39.917 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -23.819 12.927 41.156 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -22.131 13.484 41.234 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -21.550 13.251 38.246 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -20.481 12.702 39.559 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -20.970 11.569 38.276 1.00 0.00 H new ATOM 198 N HIS A 14 -24.266 9.603 40.611 1.00 0.00 N ATOM 199 CA HIS A 14 -25.501 9.047 41.235 1.00 0.00 C ATOM 200 C HIS A 14 -25.095 7.981 42.265 1.00 0.00 C ATOM 201 O HIS A 14 -25.593 7.961 43.391 1.00 0.00 O ATOM 202 CB HIS A 14 -26.374 8.419 40.144 1.00 0.00 C ATOM 203 CG HIS A 14 -27.200 9.488 39.489 1.00 0.00 C ATOM 204 ND1 HIS A 14 -28.507 9.743 39.864 1.00 0.00 N ATOM 205 CD2 HIS A 14 -26.918 10.377 38.484 1.00 0.00 C ATOM 206 CE1 HIS A 14 -28.961 10.750 39.093 1.00 0.00 C ATOM 207 NE2 HIS A 14 -28.031 11.173 38.235 1.00 0.00 N ATOM 0 H HIS A 14 -24.146 9.386 39.622 1.00 0.00 H new ATOM 0 HA HIS A 14 -26.065 9.836 41.732 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -25.748 7.923 39.403 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -27.022 7.656 40.576 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -29.031 9.257 40.592 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -25.974 10.448 37.964 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -29.956 11.164 39.161 1.00 0.00 H new ATOM 215 N GLU A 15 -24.185 7.110 41.900 1.00 0.00 N ATOM 216 CA GLU A 15 -23.713 6.050 42.845 1.00 0.00 C ATOM 217 C GLU A 15 -23.210 6.706 44.142 1.00 0.00 C ATOM 218 O GLU A 15 -23.616 6.334 45.242 1.00 0.00 O ATOM 219 CB GLU A 15 -22.566 5.259 42.194 1.00 0.00 C ATOM 220 CG GLU A 15 -23.086 4.475 40.978 1.00 0.00 C ATOM 221 CD GLU A 15 -21.922 3.782 40.260 1.00 0.00 C ATOM 222 OE1 GLU A 15 -21.234 4.443 39.493 1.00 0.00 O ATOM 223 OE2 GLU A 15 -21.740 2.600 40.482 1.00 0.00 O ATOM 0 H GLU A 15 -23.746 7.088 40.980 1.00 0.00 H new ATOM 0 HA GLU A 15 -24.537 5.375 43.075 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -21.774 5.941 41.885 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -22.130 4.572 42.920 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -23.818 3.734 41.299 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -23.596 5.150 40.291 1.00 0.00 H new ATOM 230 N ILE A 16 -22.344 7.688 44.037 1.00 0.00 N ATOM 231 CA ILE A 16 -21.826 8.369 45.266 1.00 0.00 C ATOM 232 C ILE A 16 -22.940 9.222 45.886 1.00 0.00 C ATOM 233 O ILE A 16 -23.101 9.269 47.106 1.00 0.00 O ATOM 234 CB ILE A 16 -20.628 9.259 44.899 1.00 0.00 C ATOM 235 CG1 ILE A 16 -19.515 8.407 44.276 1.00 0.00 C ATOM 236 CG2 ILE A 16 -20.086 9.940 46.159 1.00 0.00 C ATOM 237 CD1 ILE A 16 -19.210 7.206 45.177 1.00 0.00 C ATOM 0 H ILE A 16 -21.975 8.046 43.156 1.00 0.00 H new ATOM 0 HA ILE A 16 -21.503 7.619 45.988 1.00 0.00 H new ATOM 0 HB ILE A 16 -20.956 10.013 44.183 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -19.819 8.063 43.287 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -18.616 9.009 44.142 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -19.237 10.570 45.895 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -20.868 10.554 46.606 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -19.767 9.182 46.874 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -18.419 6.606 44.728 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -18.886 7.559 46.156 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -20.108 6.598 45.289 1.00 0.00 H new ATOM 249 N GLY A 17 -23.719 9.889 45.071 1.00 0.00 N ATOM 250 CA GLY A 17 -24.837 10.731 45.603 1.00 0.00 C ATOM 251 C GLY A 17 -25.761 9.864 46.460 1.00 0.00 C ATOM 252 O GLY A 17 -26.201 10.274 47.532 1.00 0.00 O ATOM 0 H GLY A 17 -23.629 9.887 44.055 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -24.437 11.553 46.197 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -25.397 11.175 44.780 1.00 0.00 H new ATOM 256 N ILE A 18 -26.051 8.670 46.011 1.00 0.00 N ATOM 257 CA ILE A 18 -26.937 7.755 46.799 1.00 0.00 C ATOM 258 C ILE A 18 -26.127 7.118 47.943 1.00 0.00 C ATOM 259 O ILE A 18 -26.554 7.112 49.095 1.00 0.00 O ATOM 260 CB ILE A 18 -27.486 6.658 45.875 1.00 0.00 C ATOM 261 CG1 ILE A 18 -28.398 7.286 44.818 1.00 0.00 C ATOM 262 CG2 ILE A 18 -28.295 5.647 46.691 1.00 0.00 C ATOM 263 CD1 ILE A 18 -28.739 6.241 43.752 1.00 0.00 C ATOM 0 H ILE A 18 -25.712 8.286 45.129 1.00 0.00 H new ATOM 0 HA ILE A 18 -27.768 8.321 47.220 1.00 0.00 H new ATOM 0 HB ILE A 18 -26.650 6.152 45.391 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -29.311 7.657 45.284 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -27.904 8.142 44.358 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -28.682 4.872 46.030 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -27.654 5.193 47.447 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -29.127 6.155 47.179 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -29.388 6.688 42.999 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -27.822 5.891 43.279 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -29.250 5.399 44.218 1.00 0.00 H new ATOM 275 N LYS A 19 -24.966 6.585 47.644 1.00 0.00 N ATOM 276 CA LYS A 19 -24.117 5.945 48.705 1.00 0.00 C ATOM 277 C LYS A 19 -23.828 6.941 49.846 1.00 0.00 C ATOM 278 O LYS A 19 -23.687 6.552 51.006 1.00 0.00 O ATOM 279 CB LYS A 19 -22.795 5.488 48.077 1.00 0.00 C ATOM 280 CG LYS A 19 -22.426 4.098 48.601 1.00 0.00 C ATOM 281 CD LYS A 19 -21.957 4.212 50.054 1.00 0.00 C ATOM 282 CE LYS A 19 -21.708 2.820 50.630 1.00 0.00 C ATOM 283 NZ LYS A 19 -20.915 2.950 51.889 1.00 0.00 N ATOM 0 H LYS A 19 -24.566 6.565 46.706 1.00 0.00 H new ATOM 0 HA LYS A 19 -24.652 5.091 49.120 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -22.886 5.465 46.991 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.004 6.199 48.315 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -23.287 3.432 48.536 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -21.639 3.662 47.986 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -21.044 4.805 50.105 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -22.708 4.732 50.648 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -22.656 2.321 50.832 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -21.171 2.204 49.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -20.741 2.006 52.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -20.006 3.411 51.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -21.445 3.524 52.576 1.00 0.00 H new ATOM 297 N ARG A 20 -23.728 8.209 49.540 1.00 0.00 N ATOM 298 CA ARG A 20 -23.447 9.227 50.602 1.00 0.00 C ATOM 299 C ARG A 20 -24.768 9.896 51.042 1.00 0.00 C ATOM 300 O ARG A 20 -25.326 9.572 52.090 1.00 0.00 O ATOM 301 CB ARG A 20 -22.484 10.287 50.034 1.00 0.00 C ATOM 302 CG ARG A 20 -21.222 10.381 50.901 1.00 0.00 C ATOM 303 CD ARG A 20 -20.720 11.832 50.925 1.00 0.00 C ATOM 304 NE ARG A 20 -19.296 11.880 50.457 1.00 0.00 N ATOM 305 CZ ARG A 20 -18.628 12.992 50.497 1.00 0.00 C ATOM 306 NH1 ARG A 20 -18.684 13.811 49.510 1.00 0.00 N ATOM 307 NH2 ARG A 20 -17.897 13.266 51.518 1.00 0.00 N ATOM 0 H ARG A 20 -23.829 8.586 48.598 1.00 0.00 H new ATOM 0 HA ARG A 20 -22.991 8.745 51.467 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -22.212 10.029 49.011 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -22.981 11.257 49.997 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -21.439 10.044 51.915 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -20.447 9.724 50.506 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -21.345 12.454 50.284 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -20.795 12.237 51.934 1.00 0.00 H new ATOM 0 HE ARG A 20 -18.850 11.033 50.105 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -19.254 13.588 48.694 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -18.159 14.685 49.542 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -17.842 12.610 52.297 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -17.372 14.140 51.550 1.00 0.00 H new ATOM 321 N ASN A 21 -25.263 10.819 50.248 1.00 0.00 N ATOM 322 CA ASN A 21 -26.542 11.551 50.559 1.00 0.00 C ATOM 323 C ASN A 21 -26.579 12.825 49.701 1.00 0.00 C ATOM 324 O ASN A 21 -26.556 13.945 50.212 1.00 0.00 O ATOM 325 CB ASN A 21 -26.597 11.943 52.048 1.00 0.00 C ATOM 326 CG ASN A 21 -27.937 11.518 52.645 1.00 0.00 C ATOM 327 OD1 ASN A 21 -28.981 12.042 52.276 1.00 0.00 O ATOM 328 ND2 ASN A 21 -27.968 10.594 53.555 1.00 0.00 N ATOM 0 H ASN A 21 -24.823 11.105 49.373 1.00 0.00 H new ATOM 0 HA ASN A 21 -27.394 10.906 50.342 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -25.780 11.467 52.589 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -26.466 13.020 52.155 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -28.859 10.307 53.960 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -27.101 10.155 53.865 1.00 0.00 H new ATOM 335 N MET A 22 -26.589 12.681 48.402 1.00 0.00 N ATOM 336 CA MET A 22 -26.579 13.888 47.520 1.00 0.00 C ATOM 337 C MET A 22 -27.567 13.723 46.357 1.00 0.00 C ATOM 338 O MET A 22 -27.511 12.751 45.602 1.00 0.00 O ATOM 339 CB MET A 22 -25.167 14.089 46.947 1.00 0.00 C ATOM 340 CG MET A 22 -24.105 13.803 48.015 1.00 0.00 C ATOM 341 SD MET A 22 -23.063 15.264 48.237 1.00 0.00 S ATOM 342 CE MET A 22 -23.609 15.671 49.915 1.00 0.00 C ATOM 0 H MET A 22 -26.604 11.785 47.914 1.00 0.00 H new ATOM 0 HA MET A 22 -26.875 14.752 48.115 1.00 0.00 H new ATOM 0 HB2 MET A 22 -25.018 13.429 46.093 1.00 0.00 H new ATOM 0 HB3 MET A 22 -25.058 15.111 46.583 1.00 0.00 H new ATOM 0 HG2 MET A 22 -24.584 13.538 48.958 1.00 0.00 H new ATOM 0 HG3 MET A 22 -23.495 12.950 47.717 1.00 0.00 H new ATOM 0 HE1 MET A 22 -23.166 16.618 50.222 1.00 0.00 H new ATOM 0 HE2 MET A 22 -24.696 15.756 49.934 1.00 0.00 H new ATOM 0 HE3 MET A 22 -23.295 14.884 50.601 1.00 0.00 H new ATOM 352 N THR A 23 -28.451 14.668 46.183 1.00 0.00 N ATOM 353 CA THR A 23 -29.427 14.591 45.052 1.00 0.00 C ATOM 354 C THR A 23 -28.694 14.912 43.747 1.00 0.00 C ATOM 355 O THR A 23 -28.408 16.067 43.446 1.00 0.00 O ATOM 356 CB THR A 23 -30.549 15.610 45.270 1.00 0.00 C ATOM 357 OG1 THR A 23 -30.076 16.661 46.101 1.00 0.00 O ATOM 358 CG2 THR A 23 -31.736 14.932 45.947 1.00 0.00 C ATOM 0 H THR A 23 -28.541 15.493 46.776 1.00 0.00 H new ATOM 0 HA THR A 23 -29.857 13.591 45.002 1.00 0.00 H new ATOM 0 HB THR A 23 -30.862 16.013 44.306 1.00 0.00 H new ATOM 0 HG1 THR A 23 -30.792 17.315 46.240 1.00 0.00 H new ATOM 0 HG21 THR A 23 -32.532 15.660 46.100 1.00 0.00 H new ATOM 0 HG22 THR A 23 -32.102 14.122 45.315 1.00 0.00 H new ATOM 0 HG23 THR A 23 -31.424 14.528 46.910 1.00 0.00 H new ATOM 366 N VAL A 24 -28.365 13.911 42.978 1.00 0.00 N ATOM 367 CA VAL A 24 -27.629 14.155 41.697 1.00 0.00 C ATOM 368 C VAL A 24 -28.610 14.588 40.599 1.00 0.00 C ATOM 369 O VAL A 24 -29.383 13.782 40.074 1.00 0.00 O ATOM 370 CB VAL A 24 -26.909 12.867 41.279 1.00 0.00 C ATOM 371 CG1 VAL A 24 -26.108 13.111 40.002 1.00 0.00 C ATOM 372 CG2 VAL A 24 -25.953 12.436 42.389 1.00 0.00 C ATOM 0 H VAL A 24 -28.572 12.933 43.178 1.00 0.00 H new ATOM 0 HA VAL A 24 -26.899 14.951 41.843 1.00 0.00 H new ATOM 0 HB VAL A 24 -27.650 12.087 41.102 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -25.599 12.192 39.711 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -26.782 13.421 39.204 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -25.370 13.894 40.179 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -25.441 11.521 42.093 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -25.219 13.223 42.563 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -26.516 12.257 43.305 1.00 0.00 H new ATOM 382 N HIS A 25 -28.604 15.847 40.245 1.00 0.00 N ATOM 383 CA HIS A 25 -29.542 16.331 39.183 1.00 0.00 C ATOM 384 C HIS A 25 -28.771 17.154 38.137 1.00 0.00 C ATOM 385 O HIS A 25 -28.068 18.111 38.464 1.00 0.00 O ATOM 386 CB HIS A 25 -30.635 17.204 39.817 1.00 0.00 C ATOM 387 CG HIS A 25 -31.339 16.456 40.921 1.00 0.00 C ATOM 388 ND1 HIS A 25 -31.409 15.072 40.961 1.00 0.00 N ATOM 389 CD2 HIS A 25 -32.016 16.894 42.031 1.00 0.00 C ATOM 390 CE1 HIS A 25 -32.107 14.732 42.060 1.00 0.00 C ATOM 391 NE2 HIS A 25 -32.501 15.805 42.748 1.00 0.00 N ATOM 0 H HIS A 25 -27.993 16.560 40.643 1.00 0.00 H new ATOM 0 HA HIS A 25 -30.001 15.471 38.696 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -30.193 18.118 40.214 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -31.356 17.503 39.056 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -31.005 14.428 40.281 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -32.152 17.929 42.307 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -32.322 13.714 42.350 1.00 0.00 H new ATOM 399 N PHE A 26 -28.898 16.804 36.884 1.00 0.00 N ATOM 400 CA PHE A 26 -28.186 17.565 35.807 1.00 0.00 C ATOM 401 C PHE A 26 -29.212 18.351 34.979 1.00 0.00 C ATOM 402 O PHE A 26 -30.312 17.867 34.707 1.00 0.00 O ATOM 403 CB PHE A 26 -27.437 16.587 34.892 1.00 0.00 C ATOM 404 CG PHE A 26 -26.515 15.716 35.712 1.00 0.00 C ATOM 405 CD1 PHE A 26 -25.244 16.179 36.063 1.00 0.00 C ATOM 406 CD2 PHE A 26 -26.934 14.445 36.118 1.00 0.00 C ATOM 407 CE1 PHE A 26 -24.389 15.371 36.821 1.00 0.00 C ATOM 408 CE2 PHE A 26 -26.079 13.636 36.876 1.00 0.00 C ATOM 409 CZ PHE A 26 -24.807 14.099 37.228 1.00 0.00 C ATOM 0 H PHE A 26 -29.465 16.022 36.556 1.00 0.00 H new ATOM 0 HA PHE A 26 -27.473 18.254 36.261 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -28.149 15.966 34.349 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -26.863 17.139 34.148 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -24.921 17.161 35.749 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -27.917 14.088 35.847 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -23.407 15.729 37.092 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -26.402 12.654 37.189 1.00 0.00 H new ATOM 0 HZ PHE A 26 -24.148 13.475 37.814 1.00 0.00 H new ATOM 419 N LYS A 27 -28.883 19.549 34.575 1.00 0.00 N ATOM 420 CA LYS A 27 -29.852 20.357 33.767 1.00 0.00 C ATOM 421 C LYS A 27 -29.102 21.351 32.863 1.00 0.00 C ATOM 422 O LYS A 27 -27.883 21.490 32.934 1.00 0.00 O ATOM 423 CB LYS A 27 -30.776 21.128 34.719 1.00 0.00 C ATOM 424 CG LYS A 27 -32.057 20.321 34.956 1.00 0.00 C ATOM 425 CD LYS A 27 -33.219 21.280 35.243 1.00 0.00 C ATOM 426 CE LYS A 27 -34.545 20.524 35.151 1.00 0.00 C ATOM 427 NZ LYS A 27 -35.631 21.365 35.740 1.00 0.00 N ATOM 0 H LYS A 27 -27.991 20.004 34.767 1.00 0.00 H new ATOM 0 HA LYS A 27 -30.437 19.687 33.137 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -30.269 21.311 35.666 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -31.021 22.102 34.295 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -32.282 19.711 34.081 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -31.920 19.638 35.794 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -33.106 21.717 36.235 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -33.208 22.104 34.529 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -34.773 20.290 34.111 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -34.474 19.575 35.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -36.536 20.856 35.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -35.412 21.566 36.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -35.702 22.259 35.214 1.00 0.00 H new ATOM 441 N VAL A 28 -29.814 22.047 32.018 1.00 0.00 N ATOM 442 CA VAL A 28 -29.162 23.046 31.111 1.00 0.00 C ATOM 443 C VAL A 28 -29.844 24.408 31.308 1.00 0.00 C ATOM 444 O VAL A 28 -31.043 24.482 31.577 1.00 0.00 O ATOM 445 CB VAL A 28 -29.307 22.585 29.654 1.00 0.00 C ATOM 446 CG1 VAL A 28 -28.566 23.550 28.728 1.00 0.00 C ATOM 447 CG2 VAL A 28 -28.704 21.188 29.496 1.00 0.00 C ATOM 0 H VAL A 28 -30.826 21.969 31.914 1.00 0.00 H new ATOM 0 HA VAL A 28 -28.101 23.133 31.346 1.00 0.00 H new ATOM 0 HB VAL A 28 -30.365 22.565 29.393 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -28.673 23.217 27.695 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -28.987 24.550 28.832 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -27.509 23.571 28.995 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -28.808 20.862 28.461 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -27.648 21.215 29.764 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -29.226 20.490 30.150 1.00 0.00 H new ATOM 457 N LEU A 29 -29.107 25.482 31.205 1.00 0.00 N ATOM 458 CA LEU A 29 -29.722 26.838 31.413 1.00 0.00 C ATOM 459 C LEU A 29 -30.043 27.504 30.066 1.00 0.00 C ATOM 460 O LEU A 29 -30.907 28.377 29.983 1.00 0.00 O ATOM 461 CB LEU A 29 -28.764 27.752 32.198 1.00 0.00 C ATOM 462 CG LEU A 29 -27.775 26.928 33.025 1.00 0.00 C ATOM 463 CD1 LEU A 29 -26.753 27.864 33.663 1.00 0.00 C ATOM 464 CD2 LEU A 29 -28.520 26.180 34.130 1.00 0.00 C ATOM 0 H LEU A 29 -28.111 25.486 30.987 1.00 0.00 H new ATOM 0 HA LEU A 29 -30.643 26.698 31.979 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -28.219 28.394 31.506 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -29.337 28.406 32.855 1.00 0.00 H new ATOM 0 HG LEU A 29 -27.273 26.211 32.375 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -26.046 27.282 34.254 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -26.217 28.403 32.882 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -27.266 28.576 34.309 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -27.811 25.595 34.715 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -29.023 26.897 34.779 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -29.259 25.514 33.684 1.00 0.00 H new ATOM 476 N ARG A 30 -29.361 27.133 29.018 1.00 0.00 N ATOM 477 CA ARG A 30 -29.635 27.769 27.693 1.00 0.00 C ATOM 478 C ARG A 30 -29.637 26.717 26.576 1.00 0.00 C ATOM 479 O ARG A 30 -28.977 25.680 26.673 1.00 0.00 O ATOM 480 CB ARG A 30 -28.560 28.821 27.411 1.00 0.00 C ATOM 481 CG ARG A 30 -29.117 30.204 27.745 1.00 0.00 C ATOM 482 CD ARG A 30 -28.056 31.267 27.472 1.00 0.00 C ATOM 483 NE ARG A 30 -28.614 32.617 27.806 1.00 0.00 N ATOM 484 CZ ARG A 30 -29.117 32.847 28.976 1.00 0.00 C ATOM 485 NH1 ARG A 30 -30.343 32.527 29.224 1.00 0.00 N ATOM 486 NH2 ARG A 30 -28.391 33.390 29.892 1.00 0.00 N ATOM 0 H ARG A 30 -28.630 26.422 29.018 1.00 0.00 H new ATOM 0 HA ARG A 30 -30.618 28.240 27.722 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -27.670 28.619 28.008 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -28.258 28.779 26.364 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -30.006 30.402 27.147 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -29.422 30.241 28.791 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -27.165 31.071 28.069 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -27.752 31.234 26.426 1.00 0.00 H new ATOM 0 HE ARG A 30 -28.597 33.359 27.107 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -30.914 32.094 28.498 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -30.741 32.708 30.146 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -27.422 33.638 29.694 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -28.786 33.572 30.815 1.00 0.00 H new ATOM 631 N PHE A 40 -23.649 22.695 25.474 1.00 0.00 N ATOM 632 CA PHE A 40 -23.655 24.191 25.600 1.00 0.00 C ATOM 633 C PHE A 40 -23.481 24.620 27.066 1.00 0.00 C ATOM 634 O PHE A 40 -22.369 24.902 27.508 1.00 0.00 O ATOM 635 CB PHE A 40 -24.963 24.761 25.020 1.00 0.00 C ATOM 636 CG PHE A 40 -25.264 24.104 23.693 1.00 0.00 C ATOM 637 CD1 PHE A 40 -24.324 24.156 22.656 1.00 0.00 C ATOM 638 CD2 PHE A 40 -26.480 23.440 23.501 1.00 0.00 C ATOM 639 CE1 PHE A 40 -24.601 23.545 21.428 1.00 0.00 C ATOM 640 CE2 PHE A 40 -26.757 22.828 22.273 1.00 0.00 C ATOM 641 CZ PHE A 40 -25.818 22.881 21.236 1.00 0.00 C ATOM 0 HA PHE A 40 -22.814 24.590 25.033 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -25.785 24.590 25.715 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -24.874 25.840 24.890 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -23.385 24.668 22.804 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -27.205 23.400 24.300 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -23.876 23.586 20.629 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -27.696 22.315 22.125 1.00 0.00 H new ATOM 0 HZ PHE A 40 -26.033 22.410 20.288 1.00 0.00 H new ATOM 651 N ILE A 41 -24.542 24.685 27.830 1.00 0.00 N ATOM 652 CA ILE A 41 -24.408 25.106 29.262 1.00 0.00 C ATOM 653 C ILE A 41 -25.026 24.034 30.165 1.00 0.00 C ATOM 654 O ILE A 41 -26.112 24.210 30.726 1.00 0.00 O ATOM 655 CB ILE A 41 -25.125 26.446 29.489 1.00 0.00 C ATOM 656 CG1 ILE A 41 -24.822 27.416 28.338 1.00 0.00 C ATOM 657 CG2 ILE A 41 -24.646 27.064 30.806 1.00 0.00 C ATOM 658 CD1 ILE A 41 -23.352 27.844 28.389 1.00 0.00 C ATOM 0 H ILE A 41 -25.491 24.466 27.528 1.00 0.00 H new ATOM 0 HA ILE A 41 -23.352 25.226 29.502 1.00 0.00 H new ATOM 0 HB ILE A 41 -26.199 26.266 29.530 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -25.038 26.938 27.382 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -25.467 28.292 28.410 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -25.154 28.015 30.968 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -24.873 26.387 31.629 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -23.570 27.231 30.759 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -23.145 28.532 27.569 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -23.150 28.340 29.339 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -22.714 26.965 28.295 1.00 0.00 H new ATOM 670 N THR A 42 -24.360 22.924 30.318 1.00 0.00 N ATOM 671 CA THR A 42 -24.908 21.836 31.185 1.00 0.00 C ATOM 672 C THR A 42 -24.476 22.068 32.636 1.00 0.00 C ATOM 673 O THR A 42 -23.288 22.047 32.962 1.00 0.00 O ATOM 674 CB THR A 42 -24.384 20.476 30.711 1.00 0.00 C ATOM 675 OG1 THR A 42 -24.374 20.437 29.289 1.00 0.00 O ATOM 676 CG2 THR A 42 -25.288 19.362 31.237 1.00 0.00 C ATOM 0 H THR A 42 -23.461 22.720 29.882 1.00 0.00 H new ATOM 0 HA THR A 42 -25.996 21.845 31.121 1.00 0.00 H new ATOM 0 HB THR A 42 -23.372 20.333 31.089 1.00 0.00 H new ATOM 0 HG1 THR A 42 -24.037 19.567 28.988 1.00 0.00 H new ATOM 0 HG21 THR A 42 -24.912 18.397 30.897 1.00 0.00 H new ATOM 0 HG22 THR A 42 -25.297 19.385 32.327 1.00 0.00 H new ATOM 0 HG23 THR A 42 -26.301 19.508 30.863 1.00 0.00 H new ATOM 684 N ALA A 43 -25.417 22.283 33.511 1.00 0.00 N ATOM 685 CA ALA A 43 -25.083 22.511 34.946 1.00 0.00 C ATOM 686 C ALA A 43 -25.515 21.291 35.774 1.00 0.00 C ATOM 687 O ALA A 43 -26.452 20.571 35.419 1.00 0.00 O ATOM 688 CB ALA A 43 -25.818 23.760 35.440 1.00 0.00 C ATOM 0 H ALA A 43 -26.413 22.311 33.292 1.00 0.00 H new ATOM 0 HA ALA A 43 -24.008 22.654 35.056 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -25.578 23.932 36.489 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -25.507 24.622 34.850 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -26.893 23.616 35.333 1.00 0.00 H new ATOM 694 N CYS A 44 -24.851 21.043 36.867 1.00 0.00 N ATOM 695 CA CYS A 44 -25.214 19.874 37.720 1.00 0.00 C ATOM 696 C CYS A 44 -25.435 20.344 39.160 1.00 0.00 C ATOM 697 O CYS A 44 -24.641 21.103 39.712 1.00 0.00 O ATOM 698 CB CYS A 44 -24.078 18.843 37.692 1.00 0.00 C ATOM 699 SG CYS A 44 -23.246 18.888 36.085 1.00 0.00 S ATOM 0 H CYS A 44 -24.069 21.601 37.209 1.00 0.00 H new ATOM 0 HA CYS A 44 -26.128 19.418 37.338 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -23.363 19.054 38.487 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -24.476 17.845 37.878 1.00 0.00 H new ATOM 0 HG CYS A 44 -23.276 17.705 35.548 1.00 0.00 H new ATOM 705 N ILE A 45 -26.488 19.904 39.784 1.00 0.00 N ATOM 706 CA ILE A 45 -26.744 20.320 41.192 1.00 0.00 C ATOM 707 C ILE A 45 -26.632 19.094 42.106 1.00 0.00 C ATOM 708 O ILE A 45 -27.021 17.983 41.738 1.00 0.00 O ATOM 709 CB ILE A 45 -28.142 20.953 41.298 1.00 0.00 C ATOM 710 CG1 ILE A 45 -28.166 21.927 42.479 1.00 0.00 C ATOM 711 CG2 ILE A 45 -29.207 19.872 41.513 1.00 0.00 C ATOM 712 CD1 ILE A 45 -29.518 22.643 42.527 1.00 0.00 C ATOM 0 H ILE A 45 -27.183 19.275 39.383 1.00 0.00 H new ATOM 0 HA ILE A 45 -26.007 21.061 41.503 1.00 0.00 H new ATOM 0 HB ILE A 45 -28.360 21.482 40.370 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -27.995 21.388 43.411 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -27.361 22.655 42.379 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -30.189 20.338 41.586 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -29.196 19.178 40.672 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -28.994 19.329 42.434 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -29.533 23.336 43.368 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -29.671 23.195 41.600 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -30.315 21.909 42.647 1.00 0.00 H new ATOM 724 N VAL A 46 -26.097 19.270 43.280 1.00 0.00 N ATOM 725 CA VAL A 46 -25.949 18.120 44.221 1.00 0.00 C ATOM 726 C VAL A 46 -26.343 18.570 45.636 1.00 0.00 C ATOM 727 O VAL A 46 -26.283 19.757 45.963 1.00 0.00 O ATOM 728 CB VAL A 46 -24.492 17.630 44.191 1.00 0.00 C ATOM 729 CG1 VAL A 46 -23.603 18.551 45.025 1.00 0.00 C ATOM 730 CG2 VAL A 46 -24.413 16.216 44.759 1.00 0.00 C ATOM 0 H VAL A 46 -25.754 20.163 43.633 1.00 0.00 H new ATOM 0 HA VAL A 46 -26.601 17.300 43.922 1.00 0.00 H new ATOM 0 HB VAL A 46 -24.146 17.636 43.157 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -22.575 18.191 44.994 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -23.646 19.562 44.620 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -23.954 18.558 46.057 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -23.379 15.872 44.736 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -24.773 16.217 45.788 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -25.031 15.548 44.159 1.00 0.00 H new ATOM 740 N GLY A 47 -26.756 17.649 46.476 1.00 0.00 N ATOM 741 CA GLY A 47 -27.172 18.011 47.878 1.00 0.00 C ATOM 742 C GLY A 47 -25.985 18.579 48.667 1.00 0.00 C ATOM 743 O GLY A 47 -25.544 18.001 49.655 1.00 0.00 O ATOM 0 H GLY A 47 -26.824 16.656 46.253 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -27.978 18.744 47.846 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -27.564 17.129 48.385 1.00 0.00 H new ATOM 747 N SER A 48 -25.469 19.701 48.243 1.00 0.00 N ATOM 748 CA SER A 48 -24.306 20.337 48.944 1.00 0.00 C ATOM 749 C SER A 48 -23.823 21.555 48.145 1.00 0.00 C ATOM 750 O SER A 48 -23.455 22.580 48.711 1.00 0.00 O ATOM 751 CB SER A 48 -23.154 19.335 49.063 1.00 0.00 C ATOM 752 OG SER A 48 -22.538 19.481 50.340 1.00 0.00 O ATOM 0 H SER A 48 -25.806 20.215 47.429 1.00 0.00 H new ATOM 0 HA SER A 48 -24.624 20.648 49.939 1.00 0.00 H new ATOM 0 HB2 SER A 48 -23.526 18.318 48.939 1.00 0.00 H new ATOM 0 HB3 SER A 48 -22.424 19.506 48.272 1.00 0.00 H new ATOM 0 HG SER A 48 -21.801 18.841 50.423 1.00 0.00 H new ATOM 758 N ILE A 49 -23.809 21.459 46.835 1.00 0.00 N ATOM 759 CA ILE A 49 -23.337 22.608 45.998 1.00 0.00 C ATOM 760 C ILE A 49 -23.860 22.465 44.557 1.00 0.00 C ATOM 761 O ILE A 49 -24.580 21.523 44.222 1.00 0.00 O ATOM 762 CB ILE A 49 -21.795 22.646 45.965 1.00 0.00 C ATOM 763 CG1 ILE A 49 -21.196 21.475 46.757 1.00 0.00 C ATOM 764 CG2 ILE A 49 -21.301 23.957 46.577 1.00 0.00 C ATOM 765 CD1 ILE A 49 -19.721 21.312 46.391 1.00 0.00 C ATOM 0 H ILE A 49 -24.104 20.635 46.311 1.00 0.00 H new ATOM 0 HA ILE A 49 -23.717 23.530 46.438 1.00 0.00 H new ATOM 0 HB ILE A 49 -21.478 22.568 44.925 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -21.298 21.656 47.827 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -21.740 20.557 46.536 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -20.212 23.982 46.553 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -21.696 24.797 46.006 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -21.643 24.028 47.610 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -19.296 20.481 46.954 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -19.631 21.111 45.323 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -19.182 22.228 46.635 1.00 0.00 H new ATOM 777 N VAL A 50 -23.492 23.377 43.696 1.00 0.00 N ATOM 778 CA VAL A 50 -23.936 23.305 42.267 1.00 0.00 C ATOM 779 C VAL A 50 -22.696 23.391 41.366 1.00 0.00 C ATOM 780 O VAL A 50 -21.643 23.875 41.783 1.00 0.00 O ATOM 781 CB VAL A 50 -24.884 24.471 41.952 1.00 0.00 C ATOM 782 CG1 VAL A 50 -25.655 24.172 40.665 1.00 0.00 C ATOM 783 CG2 VAL A 50 -25.884 24.655 43.096 1.00 0.00 C ATOM 0 H VAL A 50 -22.899 24.176 43.921 1.00 0.00 H new ATOM 0 HA VAL A 50 -24.464 22.368 42.091 1.00 0.00 H new ATOM 0 HB VAL A 50 -24.296 25.381 41.831 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -26.327 25.001 40.443 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -24.953 24.044 39.841 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -26.235 23.258 40.792 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -26.553 25.484 42.865 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -26.467 23.742 43.220 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -25.345 24.870 44.019 1.00 0.00 H new ATOM 793 N THR A 51 -22.784 22.926 40.150 1.00 0.00 N ATOM 794 CA THR A 51 -21.590 22.977 39.245 1.00 0.00 C ATOM 795 C THR A 51 -22.000 23.338 37.816 1.00 0.00 C ATOM 796 O THR A 51 -22.635 22.549 37.116 1.00 0.00 O ATOM 797 CB THR A 51 -20.900 21.609 39.226 1.00 0.00 C ATOM 798 OG1 THR A 51 -21.054 20.976 40.484 1.00 0.00 O ATOM 799 CG2 THR A 51 -19.415 21.790 38.937 1.00 0.00 C ATOM 0 H THR A 51 -23.623 22.515 39.742 1.00 0.00 H new ATOM 0 HA THR A 51 -20.911 23.741 39.624 1.00 0.00 H new ATOM 0 HB THR A 51 -21.354 20.992 38.450 1.00 0.00 H new ATOM 0 HG1 THR A 51 -20.182 20.660 40.800 1.00 0.00 H new ATOM 0 HG21 THR A 51 -18.926 20.816 38.924 1.00 0.00 H new ATOM 0 HG22 THR A 51 -19.289 22.273 37.968 1.00 0.00 H new ATOM 0 HG23 THR A 51 -18.966 22.411 39.712 1.00 0.00 H new ATOM 807 N GLU A 52 -21.627 24.501 37.360 1.00 0.00 N ATOM 808 CA GLU A 52 -21.970 24.905 35.964 1.00 0.00 C ATOM 809 C GLU A 52 -20.907 24.349 35.005 1.00 0.00 C ATOM 810 O GLU A 52 -19.731 24.237 35.359 1.00 0.00 O ATOM 811 CB GLU A 52 -22.003 26.433 35.871 1.00 0.00 C ATOM 812 CG GLU A 52 -23.309 26.869 35.194 1.00 0.00 C ATOM 813 CD GLU A 52 -24.364 27.193 36.254 1.00 0.00 C ATOM 814 OE1 GLU A 52 -24.755 26.287 36.972 1.00 0.00 O ATOM 815 OE2 GLU A 52 -24.765 28.339 36.325 1.00 0.00 O ATOM 0 H GLU A 52 -21.099 25.192 37.893 1.00 0.00 H new ATOM 0 HA GLU A 52 -22.948 24.508 35.693 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -21.931 26.871 36.866 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -21.146 26.793 35.302 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -23.130 27.743 34.568 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -23.671 26.077 34.539 1.00 0.00 H new ATOM 822 N GLY A 53 -21.288 23.984 33.806 1.00 0.00 N ATOM 823 CA GLY A 53 -20.282 23.429 32.846 1.00 0.00 C ATOM 824 C GLY A 53 -20.614 23.855 31.414 1.00 0.00 C ATOM 825 O GLY A 53 -21.419 23.216 30.734 1.00 0.00 O ATOM 0 H GLY A 53 -22.243 24.045 33.452 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -19.285 23.778 33.113 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -20.268 22.341 32.914 1.00 0.00 H new ATOM 829 N GLU A 54 -20.006 24.913 30.941 1.00 0.00 N ATOM 830 CA GLU A 54 -20.276 25.386 29.545 1.00 0.00 C ATOM 831 C GLU A 54 -19.619 24.433 28.527 1.00 0.00 C ATOM 832 O GLU A 54 -18.728 24.816 27.764 1.00 0.00 O ATOM 833 CB GLU A 54 -19.705 26.800 29.375 1.00 0.00 C ATOM 834 CG GLU A 54 -20.357 27.749 30.391 1.00 0.00 C ATOM 835 CD GLU A 54 -19.292 28.305 31.337 1.00 0.00 C ATOM 836 OE1 GLU A 54 -18.863 27.569 32.209 1.00 0.00 O ATOM 837 OE2 GLU A 54 -18.928 29.457 31.174 1.00 0.00 O ATOM 0 H GLU A 54 -19.331 25.473 31.462 1.00 0.00 H new ATOM 0 HA GLU A 54 -21.352 25.400 29.369 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -18.625 26.786 29.518 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -19.887 27.157 28.361 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -20.857 28.566 29.871 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -21.121 27.219 30.960 1.00 0.00 H new ATOM 844 N GLY A 55 -20.041 23.195 28.495 1.00 0.00 N ATOM 845 CA GLY A 55 -19.447 22.221 27.527 1.00 0.00 C ATOM 846 C GLY A 55 -19.876 22.573 26.101 1.00 0.00 C ATOM 847 O GLY A 55 -21.059 22.636 25.789 1.00 0.00 O ATOM 0 H GLY A 55 -20.771 22.815 29.097 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -18.360 22.237 27.603 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -19.769 21.209 27.773 1.00 0.00 H new ATOM 943 N LYS A 62 -22.111 17.952 30.407 1.00 0.00 N ATOM 944 CA LYS A 62 -22.683 16.692 30.982 1.00 0.00 C ATOM 945 C LYS A 62 -21.510 15.866 31.505 1.00 0.00 C ATOM 946 O LYS A 62 -21.393 15.622 32.702 1.00 0.00 O ATOM 947 CB LYS A 62 -23.462 15.903 29.916 1.00 0.00 C ATOM 948 CG LYS A 62 -24.529 15.037 30.591 1.00 0.00 C ATOM 949 CD LYS A 62 -25.534 14.558 29.537 1.00 0.00 C ATOM 950 CE LYS A 62 -25.164 13.150 29.066 1.00 0.00 C ATOM 951 NZ LYS A 62 -26.340 12.243 29.247 1.00 0.00 N ATOM 0 HA LYS A 62 -23.385 16.924 31.783 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -23.930 16.590 29.211 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -22.779 15.275 29.343 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -24.063 14.182 31.081 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -25.041 15.608 31.365 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -26.541 14.558 29.955 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -25.541 15.244 28.690 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -24.865 13.172 28.018 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -24.311 12.777 29.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -26.092 11.285 28.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -26.605 12.215 30.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -27.141 12.598 28.687 1.00 0.00 H new ATOM 965 N LYS A 63 -20.604 15.486 30.638 1.00 0.00 N ATOM 966 CA LYS A 63 -19.404 14.731 31.107 1.00 0.00 C ATOM 967 C LYS A 63 -18.498 15.718 31.850 1.00 0.00 C ATOM 968 O LYS A 63 -18.188 15.537 33.020 1.00 0.00 O ATOM 969 CB LYS A 63 -18.640 14.125 29.918 1.00 0.00 C ATOM 970 CG LYS A 63 -17.496 13.246 30.456 1.00 0.00 C ATOM 971 CD LYS A 63 -16.787 12.522 29.302 1.00 0.00 C ATOM 972 CE LYS A 63 -15.449 11.949 29.797 1.00 0.00 C ATOM 973 NZ LYS A 63 -15.656 10.559 30.302 1.00 0.00 N ATOM 0 H LYS A 63 -20.643 15.665 29.635 1.00 0.00 H new ATOM 0 HA LYS A 63 -19.712 13.913 31.759 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -19.314 13.531 29.301 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -18.241 14.916 29.284 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -16.781 13.862 31.001 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -17.891 12.516 31.163 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -17.419 11.720 28.920 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.615 13.213 28.477 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.720 11.948 28.986 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -15.043 12.578 30.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.750 10.173 30.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -16.338 10.573 31.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -16.025 9.962 29.534 1.00 0.00 H new ATOM 987 N ARG A 64 -18.093 16.772 31.186 1.00 0.00 N ATOM 988 CA ARG A 64 -17.222 17.803 31.833 1.00 0.00 C ATOM 989 C ARG A 64 -17.928 18.398 33.062 1.00 0.00 C ATOM 990 O ARG A 64 -17.318 18.584 34.115 1.00 0.00 O ATOM 991 CB ARG A 64 -16.943 18.921 30.823 1.00 0.00 C ATOM 992 CG ARG A 64 -15.789 19.799 31.324 1.00 0.00 C ATOM 993 CD ARG A 64 -14.465 19.277 30.759 1.00 0.00 C ATOM 994 NE ARG A 64 -13.500 19.046 31.882 1.00 0.00 N ATOM 995 CZ ARG A 64 -13.378 17.866 32.412 1.00 0.00 C ATOM 996 NH1 ARG A 64 -12.678 16.959 31.822 1.00 0.00 N ATOM 997 NH2 ARG A 64 -13.952 17.596 33.531 1.00 0.00 N ATOM 0 H ARG A 64 -18.331 16.964 30.213 1.00 0.00 H new ATOM 0 HA ARG A 64 -16.289 17.338 32.150 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -16.691 18.492 29.853 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -17.838 19.527 30.681 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -15.945 20.833 31.016 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -15.759 19.792 32.414 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -14.631 18.349 30.211 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -14.051 19.995 30.051 1.00 0.00 H new ATOM 0 HE ARG A 64 -12.935 19.820 32.232 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -12.217 17.166 30.936 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.585 16.034 32.241 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -14.505 18.309 34.006 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.854 16.668 33.944 1.00 0.00 H new ATOM 1011 N ALA A 65 -19.197 18.704 32.941 1.00 0.00 N ATOM 1012 CA ALA A 65 -19.950 19.292 34.091 1.00 0.00 C ATOM 1013 C ALA A 65 -20.000 18.283 35.255 1.00 0.00 C ATOM 1014 O ALA A 65 -19.572 18.576 36.372 1.00 0.00 O ATOM 1015 CB ALA A 65 -21.376 19.631 33.639 1.00 0.00 C ATOM 0 H ALA A 65 -19.745 18.571 32.091 1.00 0.00 H new ATOM 0 HA ALA A 65 -19.448 20.198 34.429 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -21.930 20.060 34.474 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -21.337 20.350 32.821 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -21.876 18.723 33.300 1.00 0.00 H new ATOM 1021 N ALA A 66 -20.509 17.100 35.009 1.00 0.00 N ATOM 1022 CA ALA A 66 -20.585 16.068 36.090 1.00 0.00 C ATOM 1023 C ALA A 66 -19.175 15.739 36.598 1.00 0.00 C ATOM 1024 O ALA A 66 -18.956 15.576 37.799 1.00 0.00 O ATOM 1025 CB ALA A 66 -21.239 14.801 35.533 1.00 0.00 C ATOM 0 H ALA A 66 -20.876 16.804 34.104 1.00 0.00 H new ATOM 0 HA ALA A 66 -21.180 16.454 36.918 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -21.296 14.046 36.317 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -22.243 15.035 35.180 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -20.643 14.418 34.704 1.00 0.00 H new ATOM 1031 N GLU A 67 -18.217 15.646 35.710 1.00 0.00 N ATOM 1032 CA GLU A 67 -16.820 15.337 36.136 1.00 0.00 C ATOM 1033 C GLU A 67 -16.365 16.370 37.168 1.00 0.00 C ATOM 1034 O GLU A 67 -15.844 16.021 38.225 1.00 0.00 O ATOM 1035 CB GLU A 67 -15.884 15.394 34.930 1.00 0.00 C ATOM 1036 CG GLU A 67 -15.178 14.042 34.746 1.00 0.00 C ATOM 1037 CD GLU A 67 -13.735 14.272 34.297 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -13.546 14.864 33.244 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -12.844 13.869 35.014 1.00 0.00 O ATOM 0 H GLU A 67 -18.344 15.771 34.706 1.00 0.00 H new ATOM 0 HA GLU A 67 -16.792 14.338 36.571 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.450 15.643 34.032 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.145 16.183 35.070 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -15.193 13.482 35.681 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.708 13.442 34.007 1.00 0.00 H new ATOM 1046 N LYS A 68 -16.566 17.637 36.895 1.00 0.00 N ATOM 1047 CA LYS A 68 -16.157 18.681 37.883 1.00 0.00 C ATOM 1048 C LYS A 68 -16.896 18.418 39.201 1.00 0.00 C ATOM 1049 O LYS A 68 -16.303 18.432 40.278 1.00 0.00 O ATOM 1050 CB LYS A 68 -16.501 20.085 37.368 1.00 0.00 C ATOM 1051 CG LYS A 68 -16.273 21.098 38.500 1.00 0.00 C ATOM 1052 CD LYS A 68 -15.522 22.325 37.978 1.00 0.00 C ATOM 1053 CE LYS A 68 -14.991 23.119 39.173 1.00 0.00 C ATOM 1054 NZ LYS A 68 -13.930 24.064 38.718 1.00 0.00 N ATOM 0 H LYS A 68 -16.992 17.990 36.038 1.00 0.00 H new ATOM 0 HA LYS A 68 -15.079 18.632 38.034 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -15.879 20.334 36.508 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -17.538 20.121 37.033 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -17.231 21.403 38.922 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -15.705 20.631 39.305 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.699 22.018 37.332 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.185 22.946 37.376 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.804 23.670 39.646 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.588 22.439 39.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.572 24.602 39.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.150 23.528 38.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.328 24.721 38.017 1.00 0.00 H new ATOM 1068 N MET A 69 -18.175 18.146 39.132 1.00 0.00 N ATOM 1069 CA MET A 69 -18.940 17.846 40.375 1.00 0.00 C ATOM 1070 C MET A 69 -18.267 16.656 41.078 1.00 0.00 C ATOM 1071 O MET A 69 -18.149 16.617 42.298 1.00 0.00 O ATOM 1072 CB MET A 69 -20.391 17.501 40.005 1.00 0.00 C ATOM 1073 CG MET A 69 -21.171 17.109 41.264 1.00 0.00 C ATOM 1074 SD MET A 69 -21.453 18.576 42.286 1.00 0.00 S ATOM 1075 CE MET A 69 -23.008 19.106 41.522 1.00 0.00 C ATOM 0 H MET A 69 -18.719 18.119 38.270 1.00 0.00 H new ATOM 0 HA MET A 69 -18.947 18.708 41.043 1.00 0.00 H new ATOM 0 HB2 MET A 69 -20.866 18.356 39.524 1.00 0.00 H new ATOM 0 HB3 MET A 69 -20.407 16.681 39.287 1.00 0.00 H new ATOM 0 HG2 MET A 69 -22.124 16.657 40.988 1.00 0.00 H new ATOM 0 HG3 MET A 69 -20.616 16.361 41.830 1.00 0.00 H new ATOM 0 HE1 MET A 69 -23.454 19.901 42.119 1.00 0.00 H new ATOM 0 HE2 MET A 69 -22.812 19.475 40.515 1.00 0.00 H new ATOM 0 HE3 MET A 69 -23.695 18.261 41.471 1.00 0.00 H new ATOM 1085 N LEU A 70 -17.804 15.695 40.318 1.00 0.00 N ATOM 1086 CA LEU A 70 -17.117 14.513 40.919 1.00 0.00 C ATOM 1087 C LEU A 70 -15.753 14.932 41.496 1.00 0.00 C ATOM 1088 O LEU A 70 -15.478 14.726 42.678 1.00 0.00 O ATOM 1089 CB LEU A 70 -16.909 13.445 39.835 1.00 0.00 C ATOM 1090 CG LEU A 70 -18.208 12.669 39.599 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -17.921 11.462 38.709 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -18.775 12.180 40.932 1.00 0.00 C ATOM 0 H LEU A 70 -17.873 15.680 39.300 1.00 0.00 H new ATOM 0 HA LEU A 70 -17.733 14.109 41.723 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -16.585 13.917 38.907 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.117 12.759 40.137 1.00 0.00 H new ATOM 0 HG LEU A 70 -18.932 13.326 39.117 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -18.844 10.907 38.539 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -17.521 11.801 37.754 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -17.193 10.814 39.198 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -19.699 11.629 40.754 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -18.050 11.526 41.418 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -18.981 13.035 41.576 1.00 0.00 H new ATOM 1104 N VAL A 71 -14.892 15.506 40.688 1.00 0.00 N ATOM 1105 CA VAL A 71 -13.540 15.929 41.187 1.00 0.00 C ATOM 1106 C VAL A 71 -13.682 16.896 42.378 1.00 0.00 C ATOM 1107 O VAL A 71 -12.834 16.922 43.276 1.00 0.00 O ATOM 1108 CB VAL A 71 -12.751 16.593 40.046 1.00 0.00 C ATOM 1109 CG1 VAL A 71 -13.310 17.983 39.747 1.00 0.00 C ATOM 1110 CG2 VAL A 71 -11.281 16.725 40.449 1.00 0.00 C ATOM 0 H VAL A 71 -15.066 15.701 39.702 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.997 15.048 41.528 1.00 0.00 H new ATOM 0 HB VAL A 71 -12.841 15.972 39.155 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.740 18.438 38.937 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -14.356 17.899 39.452 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -13.234 18.605 40.639 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.723 17.196 39.640 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.204 17.337 41.347 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.868 15.736 40.647 1.00 0.00 H new ATOM 1120 N GLU A 72 -14.729 17.680 42.423 1.00 0.00 N ATOM 1121 CA GLU A 72 -14.908 18.613 43.575 1.00 0.00 C ATOM 1122 C GLU A 72 -15.581 17.856 44.732 1.00 0.00 C ATOM 1123 O GLU A 72 -15.093 17.873 45.861 1.00 0.00 O ATOM 1124 CB GLU A 72 -15.757 19.816 43.149 1.00 0.00 C ATOM 1125 CG GLU A 72 -15.057 21.112 43.594 1.00 0.00 C ATOM 1126 CD GLU A 72 -14.723 21.976 42.375 1.00 0.00 C ATOM 1127 OE1 GLU A 72 -15.592 22.705 41.930 1.00 0.00 O ATOM 1128 OE2 GLU A 72 -13.598 21.896 41.906 1.00 0.00 O ATOM 0 H GLU A 72 -15.463 17.714 41.716 1.00 0.00 H new ATOM 0 HA GLU A 72 -13.937 18.983 43.906 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -15.894 19.815 42.068 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -16.749 19.753 43.596 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.701 21.666 44.277 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.145 20.872 44.140 1.00 0.00 H new ATOM 1135 N LEU A 73 -16.671 17.167 44.471 1.00 0.00 N ATOM 1136 CA LEU A 73 -17.356 16.385 45.557 1.00 0.00 C ATOM 1137 C LEU A 73 -16.393 15.334 46.139 1.00 0.00 C ATOM 1138 O LEU A 73 -16.486 14.970 47.304 1.00 0.00 O ATOM 1139 CB LEU A 73 -18.595 15.677 44.992 1.00 0.00 C ATOM 1140 CG LEU A 73 -19.768 16.656 44.896 1.00 0.00 C ATOM 1141 CD1 LEU A 73 -21.037 15.888 44.539 1.00 0.00 C ATOM 1142 CD2 LEU A 73 -19.975 17.357 46.238 1.00 0.00 C ATOM 0 H LEU A 73 -17.116 17.112 43.555 1.00 0.00 H new ATOM 0 HA LEU A 73 -17.659 17.075 46.345 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -18.371 15.269 44.006 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -18.865 14.836 45.631 1.00 0.00 H new ATOM 0 HG LEU A 73 -19.550 17.399 44.129 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -21.875 16.582 44.470 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -20.901 15.386 43.581 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -21.243 15.147 45.311 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -20.811 18.052 46.160 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -20.190 16.615 47.007 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -19.072 17.905 46.505 1.00 0.00 H new ATOM 1154 N GLN A 74 -15.463 14.845 45.354 1.00 0.00 N ATOM 1155 CA GLN A 74 -14.488 13.837 45.884 1.00 0.00 C ATOM 1156 C GLN A 74 -13.546 14.516 46.905 1.00 0.00 C ATOM 1157 O GLN A 74 -12.783 13.852 47.605 1.00 0.00 O ATOM 1158 CB GLN A 74 -13.664 13.262 44.721 1.00 0.00 C ATOM 1159 CG GLN A 74 -14.025 11.784 44.508 1.00 0.00 C ATOM 1160 CD GLN A 74 -14.043 11.458 43.014 1.00 0.00 C ATOM 1161 OE1 GLN A 74 -13.225 10.687 42.531 1.00 0.00 O ATOM 1162 NE2 GLN A 74 -14.937 12.002 42.249 1.00 0.00 N ATOM 0 H GLN A 74 -15.336 15.098 44.374 1.00 0.00 H new ATOM 0 HA GLN A 74 -15.030 13.030 46.377 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -13.859 13.828 43.810 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -12.600 13.359 44.935 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -13.302 11.148 45.018 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -15.001 11.573 44.946 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -15.623 12.646 42.644 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -14.955 11.786 41.252 1.00 0.00 H new ATOM 1171 N LYS A 75 -13.592 15.826 46.996 1.00 0.00 N ATOM 1172 CA LYS A 75 -12.719 16.569 47.958 1.00 0.00 C ATOM 1173 C LYS A 75 -13.503 16.880 49.250 1.00 0.00 C ATOM 1174 O LYS A 75 -12.929 16.959 50.336 1.00 0.00 O ATOM 1175 CB LYS A 75 -12.282 17.886 47.302 1.00 0.00 C ATOM 1176 CG LYS A 75 -10.756 17.948 47.204 1.00 0.00 C ATOM 1177 CD LYS A 75 -10.363 18.927 46.092 1.00 0.00 C ATOM 1178 CE LYS A 75 -10.654 18.295 44.728 1.00 0.00 C ATOM 1179 NZ LYS A 75 -11.198 19.336 43.803 1.00 0.00 N ATOM 0 H LYS A 75 -14.206 16.418 46.436 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.849 15.962 48.209 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.721 17.968 46.308 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.651 18.730 47.884 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.331 18.269 48.155 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.352 16.958 46.993 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.919 19.858 46.199 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.305 19.177 46.170 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.743 17.864 44.313 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.370 17.481 44.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.929 18.913 43.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.614 20.111 44.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.430 19.709 43.210 1.00 0.00 H new ATOM 1193 N LEU A 76 -14.795 17.078 49.140 1.00 0.00 N ATOM 1194 CA LEU A 76 -15.631 17.399 50.330 1.00 0.00 C ATOM 1195 C LEU A 76 -16.666 16.278 50.560 1.00 0.00 C ATOM 1196 O LEU A 76 -17.466 16.037 49.671 1.00 0.00 O ATOM 1197 CB LEU A 76 -16.365 18.716 50.067 1.00 0.00 C ATOM 1198 CG LEU A 76 -15.395 19.767 49.526 1.00 0.00 C ATOM 1199 CD1 LEU A 76 -16.115 20.638 48.504 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -14.904 20.644 50.675 1.00 0.00 C ATOM 1201 OXT LEU A 76 -16.649 15.677 51.623 1.00 0.00 O ATOM 0 H LEU A 76 -15.309 17.029 48.260 1.00 0.00 H new ATOM 0 HA LEU A 76 -14.998 17.487 51.213 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -17.172 18.554 49.352 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -16.823 19.075 50.989 1.00 0.00 H new ATOM 0 HG LEU A 76 -14.546 19.271 49.055 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -15.426 21.389 48.116 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -16.473 20.016 47.684 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -16.961 21.133 48.980 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -14.212 21.394 50.291 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -15.754 21.141 51.143 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -14.394 20.025 51.413 1.00 0.00 H new