USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=13 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 -43:sc= -0.742! USER MOD Set 1.2: A 69 MET CE :methyl -154:sc= -3.43! (180deg=-3.81!) USER MOD Single : A 11 SER OG : rot 180:sc= 0.119 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 HIS :FLIP no HE2:sc= -0.0225 F(o=-0.71,f=-0.022) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.724 K(o=-0.72,f=-2!) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 25 HIS : no HE2:sc= -0.482 K(o=-0.48,f=-3) USER MOD Single : A 27 LYS NZ :NH3+ -127:sc= 1.06 (180deg=0.00758!) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0768 USER MOD Single : A 44 CYS SG : rot 135:sc= 1.14 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -170:sc= -0.143 (180deg=-0.27) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -134:sc= 1 (180deg=-0.523) USER MOD Single : A 74 GLN : amide:sc= -1.46 K(o=-1.5,f=-4.2!) USER MOD Single : A 75 LYS NZ :NH3+ 173:sc= 0.596 (180deg=0.233) USER MOD ----------------------------------------------------------------- ATOM 121 N PRO A 9 -19.498 6.665 32.948 1.00 0.00 N ATOM 122 CA PRO A 9 -19.609 8.036 33.485 1.00 0.00 C ATOM 123 C PRO A 9 -20.774 8.139 34.485 1.00 0.00 C ATOM 124 O PRO A 9 -20.583 8.448 35.658 1.00 0.00 O ATOM 125 CB PRO A 9 -19.876 8.884 32.235 1.00 0.00 C ATOM 126 CG PRO A 9 -20.470 7.923 31.172 1.00 0.00 C ATOM 127 CD PRO A 9 -20.075 6.496 31.596 1.00 0.00 C ATOM 0 HA PRO A 9 -18.722 8.356 34.033 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -20.570 9.695 32.457 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -18.956 9.342 31.873 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -21.554 8.025 31.120 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -20.080 8.154 30.181 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -20.939 5.832 31.612 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -19.352 6.061 30.906 1.00 0.00 H new ATOM 135 N ILE A 10 -21.979 7.890 34.044 1.00 0.00 N ATOM 136 CA ILE A 10 -23.154 7.983 34.969 1.00 0.00 C ATOM 137 C ILE A 10 -23.043 6.923 36.076 1.00 0.00 C ATOM 138 O ILE A 10 -23.194 7.228 37.259 1.00 0.00 O ATOM 139 CB ILE A 10 -24.458 7.766 34.185 1.00 0.00 C ATOM 140 CG1 ILE A 10 -24.465 8.612 32.901 1.00 0.00 C ATOM 141 CG2 ILE A 10 -25.642 8.173 35.063 1.00 0.00 C ATOM 142 CD1 ILE A 10 -24.093 10.064 33.221 1.00 0.00 C ATOM 0 H ILE A 10 -22.203 7.626 33.085 1.00 0.00 H new ATOM 0 HA ILE A 10 -23.163 8.975 35.421 1.00 0.00 H new ATOM 0 HB ILE A 10 -24.535 6.714 33.911 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -23.759 8.199 32.181 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -25.451 8.575 32.438 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -26.571 8.022 34.514 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -25.651 7.563 35.967 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -25.548 9.224 35.336 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -24.102 10.652 32.304 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -24.815 10.478 33.924 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -23.097 10.096 33.663 1.00 0.00 H new ATOM 154 N SER A 11 -22.791 5.690 35.716 1.00 0.00 N ATOM 155 CA SER A 11 -22.676 4.601 36.739 1.00 0.00 C ATOM 156 C SER A 11 -21.603 4.953 37.779 1.00 0.00 C ATOM 157 O SER A 11 -21.910 5.142 38.953 1.00 0.00 O ATOM 158 CB SER A 11 -22.316 3.283 36.044 1.00 0.00 C ATOM 159 OG SER A 11 -21.954 3.544 34.689 1.00 0.00 O ATOM 0 H SER A 11 -22.659 5.387 34.751 1.00 0.00 H new ATOM 0 HA SER A 11 -23.632 4.494 37.251 1.00 0.00 H new ATOM 0 HB2 SER A 11 -21.491 2.798 36.565 1.00 0.00 H new ATOM 0 HB3 SER A 11 -23.163 2.597 36.080 1.00 0.00 H new ATOM 0 HG SER A 11 -21.722 2.702 34.244 1.00 0.00 H new ATOM 165 N GLN A 12 -20.357 5.045 37.380 1.00 0.00 N ATOM 166 CA GLN A 12 -19.268 5.379 38.361 1.00 0.00 C ATOM 167 C GLN A 12 -19.653 6.604 39.206 1.00 0.00 C ATOM 168 O GLN A 12 -19.431 6.628 40.418 1.00 0.00 O ATOM 169 CB GLN A 12 -17.962 5.649 37.611 1.00 0.00 C ATOM 170 CG GLN A 12 -17.391 4.320 37.099 1.00 0.00 C ATOM 171 CD GLN A 12 -15.932 4.503 36.688 1.00 0.00 C ATOM 172 OE1 GLN A 12 -15.611 4.539 35.506 1.00 0.00 O ATOM 173 NE2 GLN A 12 -15.021 4.612 37.605 1.00 0.00 N ATOM 0 H GLN A 12 -20.044 4.904 36.419 1.00 0.00 H new ATOM 0 HA GLN A 12 -19.131 4.530 39.031 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -18.141 6.327 36.777 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -17.244 6.137 38.270 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -17.466 3.559 37.876 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.975 3.967 36.249 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -15.283 4.583 38.590 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -14.043 4.727 37.341 1.00 0.00 H new ATOM 182 N VAL A 13 -20.239 7.614 38.612 1.00 0.00 N ATOM 183 CA VAL A 13 -20.650 8.811 39.414 1.00 0.00 C ATOM 184 C VAL A 13 -21.633 8.356 40.498 1.00 0.00 C ATOM 185 O VAL A 13 -21.476 8.671 41.679 1.00 0.00 O ATOM 186 CB VAL A 13 -21.315 9.844 38.494 1.00 0.00 C ATOM 187 CG1 VAL A 13 -22.024 10.914 39.330 1.00 0.00 C ATOM 188 CG2 VAL A 13 -20.245 10.512 37.630 1.00 0.00 C ATOM 0 H VAL A 13 -20.450 7.663 37.615 1.00 0.00 H new ATOM 0 HA VAL A 13 -19.778 9.271 39.879 1.00 0.00 H new ATOM 0 HB VAL A 13 -22.046 9.340 37.862 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -22.492 11.642 38.668 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -22.787 10.444 39.951 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -21.298 11.418 39.967 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -20.713 11.247 36.975 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -19.517 11.009 38.272 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -19.741 9.757 37.027 1.00 0.00 H new ATOM 198 N HIS A 14 -22.623 7.590 40.122 1.00 0.00 N ATOM 199 CA HIS A 14 -23.600 7.074 41.120 1.00 0.00 C ATOM 200 C HIS A 14 -22.855 6.162 42.110 1.00 0.00 C ATOM 201 O HIS A 14 -23.097 6.196 43.316 1.00 0.00 O ATOM 202 CB HIS A 14 -24.684 6.281 40.384 1.00 0.00 C ATOM 203 CG HIS A 14 -25.654 7.231 39.737 1.00 0.00 C ATOM 204 ND1 HIS A 14 -25.477 8.258 38.842 1.00 0.00 N flip ATOM 205 CD2 HIS A 14 -27.013 7.183 39.991 1.00 0.00 C flip ATOM 206 CE1 HIS A 14 -26.706 8.840 38.546 1.00 0.00 C flip ATOM 207 NE2 HIS A 14 -27.598 8.154 39.264 1.00 0.00 N flip ATOM 0 H HIS A 14 -22.796 7.299 39.160 1.00 0.00 H new ATOM 0 HA HIS A 14 -24.065 7.895 41.665 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -24.230 5.639 39.629 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -25.209 5.629 41.082 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -24.580 8.550 38.453 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -27.514 6.492 40.653 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -26.897 9.668 37.879 1.00 0.00 H new ATOM 215 N GLU A 15 -21.939 5.362 41.616 1.00 0.00 N ATOM 216 CA GLU A 15 -21.148 4.456 42.504 1.00 0.00 C ATOM 217 C GLU A 15 -20.415 5.291 43.562 1.00 0.00 C ATOM 218 O GLU A 15 -20.528 5.038 44.758 1.00 0.00 O ATOM 219 CB GLU A 15 -20.116 3.691 41.662 1.00 0.00 C ATOM 220 CG GLU A 15 -20.761 2.444 41.035 1.00 0.00 C ATOM 221 CD GLU A 15 -20.333 2.310 39.570 1.00 0.00 C ATOM 222 OE1 GLU A 15 -19.140 2.255 39.318 1.00 0.00 O ATOM 223 OE2 GLU A 15 -21.206 2.260 38.725 1.00 0.00 O ATOM 0 H GLU A 15 -21.705 5.299 40.625 1.00 0.00 H new ATOM 0 HA GLU A 15 -21.819 3.750 42.994 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -19.723 4.339 40.879 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -19.272 3.398 42.286 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -20.466 1.554 41.591 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -21.847 2.515 41.100 1.00 0.00 H new ATOM 230 N ILE A 16 -19.670 6.288 43.148 1.00 0.00 N ATOM 231 CA ILE A 16 -18.934 7.140 44.137 1.00 0.00 C ATOM 232 C ILE A 16 -19.937 7.848 45.061 1.00 0.00 C ATOM 233 O ILE A 16 -19.743 7.913 46.278 1.00 0.00 O ATOM 234 CB ILE A 16 -18.089 8.182 43.390 1.00 0.00 C ATOM 235 CG1 ILE A 16 -16.905 7.488 42.715 1.00 0.00 C ATOM 236 CG2 ILE A 16 -17.558 9.226 44.377 1.00 0.00 C ATOM 237 CD1 ILE A 16 -16.268 8.436 41.698 1.00 0.00 C ATOM 0 H ILE A 16 -19.540 6.549 42.171 1.00 0.00 H new ATOM 0 HA ILE A 16 -18.279 6.510 44.739 1.00 0.00 H new ATOM 0 HB ILE A 16 -18.710 8.672 42.640 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -16.169 7.192 43.463 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -17.239 6.577 42.219 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -16.959 9.962 43.841 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -18.396 9.725 44.865 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -16.941 8.735 45.129 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -15.424 7.941 41.218 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -17.006 8.710 40.944 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -15.919 9.335 42.207 1.00 0.00 H new ATOM 249 N GLY A 17 -21.003 8.375 44.512 1.00 0.00 N ATOM 250 CA GLY A 17 -22.025 9.075 45.356 1.00 0.00 C ATOM 251 C GLY A 17 -22.626 8.093 46.371 1.00 0.00 C ATOM 252 O GLY A 17 -22.788 8.417 47.549 1.00 0.00 O ATOM 0 H GLY A 17 -21.212 8.352 43.514 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -21.565 9.915 45.878 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -22.812 9.485 44.724 1.00 0.00 H new ATOM 256 N ILE A 18 -22.952 6.903 45.936 1.00 0.00 N ATOM 257 CA ILE A 18 -23.540 5.878 46.860 1.00 0.00 C ATOM 258 C ILE A 18 -22.434 5.268 47.740 1.00 0.00 C ATOM 259 O ILE A 18 -22.665 4.923 48.896 1.00 0.00 O ATOM 260 CB ILE A 18 -24.211 4.778 46.022 1.00 0.00 C ATOM 261 CG1 ILE A 18 -25.542 5.297 45.472 1.00 0.00 C ATOM 262 CG2 ILE A 18 -24.477 3.539 46.884 1.00 0.00 C ATOM 263 CD1 ILE A 18 -25.854 4.597 44.148 1.00 0.00 C ATOM 0 H ILE A 18 -22.836 6.592 44.972 1.00 0.00 H new ATOM 0 HA ILE A 18 -24.280 6.349 47.507 1.00 0.00 H new ATOM 0 HB ILE A 18 -23.546 4.508 45.202 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -26.341 5.113 46.190 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -25.490 6.375 45.322 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -24.952 2.769 46.277 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -23.534 3.160 47.277 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -25.134 3.806 47.712 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -26.802 4.966 43.756 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -25.059 4.804 43.431 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -25.924 3.522 44.312 1.00 0.00 H new ATOM 275 N LYS A 19 -21.244 5.122 47.211 1.00 0.00 N ATOM 276 CA LYS A 19 -20.117 4.527 48.003 1.00 0.00 C ATOM 277 C LYS A 19 -19.903 5.286 49.324 1.00 0.00 C ATOM 278 O LYS A 19 -19.355 4.738 50.280 1.00 0.00 O ATOM 279 CB LYS A 19 -18.829 4.588 47.173 1.00 0.00 C ATOM 280 CG LYS A 19 -18.352 3.170 46.857 1.00 0.00 C ATOM 281 CD LYS A 19 -17.885 2.487 48.147 1.00 0.00 C ATOM 282 CE LYS A 19 -18.459 1.072 48.214 1.00 0.00 C ATOM 283 NZ LYS A 19 -17.567 0.147 47.452 1.00 0.00 N ATOM 0 H LYS A 19 -21.001 5.391 46.258 1.00 0.00 H new ATOM 0 HA LYS A 19 -20.370 3.493 48.237 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -19.007 5.137 46.248 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -18.057 5.128 47.721 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -19.159 2.597 46.401 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -17.537 3.202 46.134 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -16.796 2.450 48.178 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -18.209 3.063 49.014 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -18.539 0.747 49.251 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -19.465 1.054 47.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.952 -0.818 47.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.512 0.456 46.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -16.615 0.159 47.871 1.00 0.00 H new ATOM 297 N ARG A 20 -20.308 6.528 49.398 1.00 0.00 N ATOM 298 CA ARG A 20 -20.116 7.304 50.660 1.00 0.00 C ATOM 299 C ARG A 20 -21.477 7.770 51.199 1.00 0.00 C ATOM 300 O ARG A 20 -21.988 7.234 52.181 1.00 0.00 O ATOM 301 CB ARG A 20 -19.224 8.519 50.375 1.00 0.00 C ATOM 302 CG ARG A 20 -17.776 8.057 50.184 1.00 0.00 C ATOM 303 CD ARG A 20 -17.478 7.914 48.690 1.00 0.00 C ATOM 304 NE ARG A 20 -16.429 8.909 48.301 1.00 0.00 N ATOM 305 CZ ARG A 20 -15.274 8.508 47.880 1.00 0.00 C ATOM 306 NH1 ARG A 20 -14.488 7.864 48.676 1.00 0.00 N ATOM 307 NH2 ARG A 20 -14.907 8.759 46.671 1.00 0.00 N ATOM 0 H ARG A 20 -20.763 7.038 48.640 1.00 0.00 H new ATOM 0 HA ARG A 20 -19.640 6.670 51.408 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -19.572 9.037 49.482 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -19.284 9.229 51.200 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -17.092 8.776 50.635 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -17.617 7.105 50.690 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -17.137 6.903 48.470 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -18.385 8.078 48.108 1.00 0.00 H new ATOM 0 HE ARG A 20 -16.626 9.907 48.368 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -14.778 7.672 49.635 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -13.576 7.547 48.346 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.527 9.274 46.046 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.996 8.443 46.339 1.00 0.00 H new ATOM 321 N ASN A 21 -22.067 8.762 50.576 1.00 0.00 N ATOM 322 CA ASN A 21 -23.395 9.287 51.042 1.00 0.00 C ATOM 323 C ASN A 21 -23.729 10.591 50.294 1.00 0.00 C ATOM 324 O ASN A 21 -24.124 11.590 50.894 1.00 0.00 O ATOM 325 CB ASN A 21 -23.343 9.566 52.556 1.00 0.00 C ATOM 326 CG ASN A 21 -21.986 10.163 52.941 1.00 0.00 C ATOM 327 OD1 ASN A 21 -21.507 11.100 52.314 1.00 0.00 O ATOM 328 ND2 ASN A 21 -21.333 9.664 53.944 1.00 0.00 N ATOM 0 H ASN A 21 -21.684 9.236 49.758 1.00 0.00 H new ATOM 0 HA ASN A 21 -24.164 8.543 50.837 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -24.142 10.253 52.834 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -23.511 8.642 53.109 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -20.427 10.052 54.206 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -21.726 8.884 54.471 1.00 0.00 H new ATOM 335 N MET A 22 -23.578 10.607 48.996 1.00 0.00 N ATOM 336 CA MET A 22 -23.881 11.854 48.230 1.00 0.00 C ATOM 337 C MET A 22 -25.005 11.599 47.219 1.00 0.00 C ATOM 338 O MET A 22 -24.786 11.040 46.144 1.00 0.00 O ATOM 339 CB MET A 22 -22.617 12.313 47.496 1.00 0.00 C ATOM 340 CG MET A 22 -21.628 12.908 48.504 1.00 0.00 C ATOM 341 SD MET A 22 -20.785 14.321 47.753 1.00 0.00 S ATOM 342 CE MET A 22 -20.713 15.355 49.236 1.00 0.00 C ATOM 0 H MET A 22 -23.260 9.817 48.435 1.00 0.00 H new ATOM 0 HA MET A 22 -24.207 12.630 48.923 1.00 0.00 H new ATOM 0 HB2 MET A 22 -22.160 11.471 46.976 1.00 0.00 H new ATOM 0 HB3 MET A 22 -22.872 13.055 46.739 1.00 0.00 H new ATOM 0 HG2 MET A 22 -22.154 13.221 49.406 1.00 0.00 H new ATOM 0 HG3 MET A 22 -20.901 12.154 48.805 1.00 0.00 H new ATOM 0 HE1 MET A 22 -20.221 16.298 48.998 1.00 0.00 H new ATOM 0 HE2 MET A 22 -21.724 15.553 49.591 1.00 0.00 H new ATOM 0 HE3 MET A 22 -20.150 14.838 50.013 1.00 0.00 H new ATOM 352 N THR A 23 -26.206 12.007 47.541 1.00 0.00 N ATOM 353 CA THR A 23 -27.352 11.805 46.599 1.00 0.00 C ATOM 354 C THR A 23 -27.061 12.544 45.291 1.00 0.00 C ATOM 355 O THR A 23 -27.003 13.773 45.256 1.00 0.00 O ATOM 356 CB THR A 23 -28.639 12.363 47.218 1.00 0.00 C ATOM 357 OG1 THR A 23 -28.479 12.469 48.626 1.00 0.00 O ATOM 358 CG2 THR A 23 -29.803 11.422 46.914 1.00 0.00 C ATOM 0 H THR A 23 -26.444 12.472 48.417 1.00 0.00 H new ATOM 0 HA THR A 23 -27.478 10.740 46.406 1.00 0.00 H new ATOM 0 HB THR A 23 -28.845 13.347 46.796 1.00 0.00 H new ATOM 0 HG1 THR A 23 -29.300 12.827 49.023 1.00 0.00 H new ATOM 0 HG21 THR A 23 -30.717 11.820 47.355 1.00 0.00 H new ATOM 0 HG22 THR A 23 -29.928 11.335 45.835 1.00 0.00 H new ATOM 0 HG23 THR A 23 -29.595 10.438 47.335 1.00 0.00 H new ATOM 366 N VAL A 24 -26.860 11.822 44.222 1.00 0.00 N ATOM 367 CA VAL A 24 -26.555 12.479 42.913 1.00 0.00 C ATOM 368 C VAL A 24 -27.858 12.768 42.145 1.00 0.00 C ATOM 369 O VAL A 24 -28.674 11.879 41.902 1.00 0.00 O ATOM 370 CB VAL A 24 -25.633 11.564 42.089 1.00 0.00 C ATOM 371 CG1 VAL A 24 -26.334 10.241 41.769 1.00 0.00 C ATOM 372 CG2 VAL A 24 -25.258 12.255 40.779 1.00 0.00 C ATOM 0 H VAL A 24 -26.893 10.803 44.196 1.00 0.00 H new ATOM 0 HA VAL A 24 -26.050 13.428 43.092 1.00 0.00 H new ATOM 0 HB VAL A 24 -24.737 11.362 42.675 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -25.666 9.607 41.186 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -26.596 9.734 42.698 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -27.240 10.439 41.195 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -24.605 11.604 40.198 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -26.162 12.466 40.207 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -24.739 13.189 40.996 1.00 0.00 H new ATOM 382 N HIS A 25 -28.066 14.002 41.761 1.00 0.00 N ATOM 383 CA HIS A 25 -29.310 14.365 41.011 1.00 0.00 C ATOM 384 C HIS A 25 -28.937 15.062 39.693 1.00 0.00 C ATOM 385 O HIS A 25 -28.472 16.201 39.684 1.00 0.00 O ATOM 386 CB HIS A 25 -30.167 15.309 41.864 1.00 0.00 C ATOM 387 CG HIS A 25 -30.627 14.601 43.108 1.00 0.00 C ATOM 388 ND1 HIS A 25 -31.840 13.939 43.172 1.00 0.00 N ATOM 389 CD2 HIS A 25 -30.052 14.452 44.344 1.00 0.00 C ATOM 390 CE1 HIS A 25 -31.957 13.426 44.411 1.00 0.00 C ATOM 391 NE2 HIS A 25 -30.893 13.709 45.166 1.00 0.00 N ATOM 0 H HIS A 25 -27.426 14.777 41.935 1.00 0.00 H new ATOM 0 HA HIS A 25 -29.875 13.459 40.792 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -29.591 16.195 42.131 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -31.028 15.650 41.290 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -32.522 13.855 42.418 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -29.092 14.851 44.635 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -32.808 12.855 44.753 1.00 0.00 H new ATOM 399 N PHE A 26 -29.137 14.400 38.583 1.00 0.00 N ATOM 400 CA PHE A 26 -28.800 15.018 37.259 1.00 0.00 C ATOM 401 C PHE A 26 -30.049 15.676 36.659 1.00 0.00 C ATOM 402 O PHE A 26 -30.985 14.992 36.242 1.00 0.00 O ATOM 403 CB PHE A 26 -28.306 13.929 36.301 1.00 0.00 C ATOM 404 CG PHE A 26 -26.843 13.655 36.537 1.00 0.00 C ATOM 405 CD1 PHE A 26 -25.876 14.524 36.023 1.00 0.00 C ATOM 406 CD2 PHE A 26 -26.453 12.524 37.261 1.00 0.00 C ATOM 407 CE1 PHE A 26 -24.517 14.264 36.235 1.00 0.00 C ATOM 408 CE2 PHE A 26 -25.096 12.262 37.473 1.00 0.00 C ATOM 409 CZ PHE A 26 -24.128 13.133 36.960 1.00 0.00 C ATOM 0 H PHE A 26 -29.520 13.456 38.533 1.00 0.00 H new ATOM 0 HA PHE A 26 -28.024 15.770 37.404 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -28.883 13.016 36.448 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -28.463 14.243 35.269 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -26.178 15.396 35.462 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -27.200 11.852 37.657 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -23.770 14.936 35.839 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -24.795 11.388 38.032 1.00 0.00 H new ATOM 0 HZ PHE A 26 -23.080 12.932 37.124 1.00 0.00 H new ATOM 419 N LYS A 27 -30.086 16.980 36.594 1.00 0.00 N ATOM 420 CA LYS A 27 -31.281 17.660 36.009 1.00 0.00 C ATOM 421 C LYS A 27 -30.872 18.978 35.336 1.00 0.00 C ATOM 422 O LYS A 27 -30.380 19.903 35.982 1.00 0.00 O ATOM 423 CB LYS A 27 -32.297 17.944 37.121 1.00 0.00 C ATOM 424 CG LYS A 27 -33.628 18.386 36.501 1.00 0.00 C ATOM 425 CD LYS A 27 -34.436 19.185 37.531 1.00 0.00 C ATOM 426 CE LYS A 27 -34.749 20.583 36.985 1.00 0.00 C ATOM 427 NZ LYS A 27 -33.490 21.385 36.903 1.00 0.00 N ATOM 0 H LYS A 27 -29.346 17.602 36.918 1.00 0.00 H new ATOM 0 HA LYS A 27 -31.727 17.008 35.258 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -32.446 17.051 37.728 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -31.917 18.721 37.784 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -33.444 18.996 35.616 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -34.196 17.515 36.175 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -35.363 18.661 37.763 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -33.874 19.267 38.461 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -35.207 20.505 35.999 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -35.469 21.084 37.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -33.621 22.288 37.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -32.711 20.855 37.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -33.261 21.571 35.906 1.00 0.00 H new ATOM 441 N VAL A 28 -31.085 19.094 34.053 1.00 0.00 N ATOM 442 CA VAL A 28 -30.727 20.364 33.351 1.00 0.00 C ATOM 443 C VAL A 28 -31.436 21.539 34.046 1.00 0.00 C ATOM 444 O VAL A 28 -32.560 21.404 34.546 1.00 0.00 O ATOM 445 CB VAL A 28 -31.159 20.278 31.879 1.00 0.00 C ATOM 446 CG1 VAL A 28 -31.075 21.659 31.224 1.00 0.00 C ATOM 447 CG2 VAL A 28 -30.226 19.323 31.132 1.00 0.00 C ATOM 0 H VAL A 28 -31.490 18.369 33.461 1.00 0.00 H new ATOM 0 HA VAL A 28 -29.649 20.520 33.391 1.00 0.00 H new ATOM 0 HB VAL A 28 -32.186 19.915 31.834 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -31.383 21.586 30.181 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -31.733 22.352 31.749 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -30.049 22.024 31.274 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -30.530 19.260 30.087 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -29.203 19.694 31.190 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -30.279 18.333 31.586 1.00 0.00 H new ATOM 457 N LEU A 29 -30.808 22.683 34.099 1.00 0.00 N ATOM 458 CA LEU A 29 -31.459 23.859 34.760 1.00 0.00 C ATOM 459 C LEU A 29 -32.317 24.601 33.724 1.00 0.00 C ATOM 460 O LEU A 29 -33.429 25.037 34.013 1.00 0.00 O ATOM 461 CB LEU A 29 -30.402 24.800 35.358 1.00 0.00 C ATOM 462 CG LEU A 29 -29.321 25.129 34.328 1.00 0.00 C ATOM 463 CD1 LEU A 29 -29.459 26.586 33.893 1.00 0.00 C ATOM 464 CD2 LEU A 29 -27.951 24.919 34.964 1.00 0.00 C ATOM 0 H LEU A 29 -29.878 22.857 33.717 1.00 0.00 H new ATOM 0 HA LEU A 29 -32.092 23.510 35.576 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -30.878 25.720 35.698 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -29.947 24.334 36.232 1.00 0.00 H new ATOM 0 HG LEU A 29 -29.430 24.480 33.459 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -28.689 26.821 33.159 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -30.442 26.742 33.450 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -29.345 27.237 34.760 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -27.173 25.151 34.237 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -27.847 25.574 35.829 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -27.853 23.881 35.282 1.00 0.00 H new ATOM 476 N ARG A 30 -31.825 24.721 32.520 1.00 0.00 N ATOM 477 CA ARG A 30 -32.597 25.398 31.439 1.00 0.00 C ATOM 478 C ARG A 30 -31.857 25.220 30.107 1.00 0.00 C ATOM 479 O ARG A 30 -30.748 25.722 29.921 1.00 0.00 O ATOM 480 CB ARG A 30 -32.752 26.886 31.750 1.00 0.00 C ATOM 481 CG ARG A 30 -33.860 27.459 30.866 1.00 0.00 C ATOM 482 CD ARG A 30 -34.256 28.844 31.371 1.00 0.00 C ATOM 483 NE ARG A 30 -33.177 29.814 31.016 1.00 0.00 N ATOM 484 CZ ARG A 30 -33.314 30.599 30.001 1.00 0.00 C ATOM 485 NH1 ARG A 30 -33.861 31.755 30.156 1.00 0.00 N ATOM 486 NH2 ARG A 30 -32.910 30.218 28.837 1.00 0.00 N ATOM 0 H ARG A 30 -30.909 24.374 32.237 1.00 0.00 H new ATOM 0 HA ARG A 30 -33.589 24.952 31.372 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -32.997 27.028 32.803 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -31.814 27.410 31.567 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -33.518 27.522 29.833 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -34.726 26.797 30.876 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -35.202 29.152 30.925 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -34.405 28.824 32.451 1.00 0.00 H new ATOM 0 HE ARG A 30 -32.327 29.856 31.579 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -34.184 32.047 31.078 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -33.971 32.378 29.356 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -32.484 29.299 28.721 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -33.017 30.836 28.033 1.00 0.00 H new ATOM 631 N PHE A 40 -26.176 22.453 25.383 1.00 0.00 N ATOM 632 CA PHE A 40 -27.056 21.950 26.485 1.00 0.00 C ATOM 633 C PHE A 40 -26.366 22.132 27.848 1.00 0.00 C ATOM 634 O PHE A 40 -25.348 21.502 28.137 1.00 0.00 O ATOM 635 CB PHE A 40 -27.337 20.461 26.257 1.00 0.00 C ATOM 636 CG PHE A 40 -28.566 20.297 25.396 1.00 0.00 C ATOM 637 CD1 PHE A 40 -29.838 20.358 25.975 1.00 0.00 C ATOM 638 CD2 PHE A 40 -28.434 20.082 24.020 1.00 0.00 C ATOM 639 CE1 PHE A 40 -30.978 20.203 25.178 1.00 0.00 C ATOM 640 CE2 PHE A 40 -29.574 19.927 23.223 1.00 0.00 C ATOM 641 CZ PHE A 40 -30.846 19.987 23.802 1.00 0.00 C ATOM 0 HA PHE A 40 -27.988 22.515 26.484 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -26.480 19.990 25.776 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -27.482 19.959 27.213 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -29.940 20.525 27.037 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -27.452 20.036 23.573 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -31.960 20.250 25.625 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -29.472 19.761 22.161 1.00 0.00 H new ATOM 0 HZ PHE A 40 -31.726 19.867 23.187 1.00 0.00 H new ATOM 651 N ILE A 41 -26.906 22.962 28.703 1.00 0.00 N ATOM 652 CA ILE A 41 -26.284 23.162 30.053 1.00 0.00 C ATOM 653 C ILE A 41 -27.011 22.284 31.083 1.00 0.00 C ATOM 654 O ILE A 41 -28.145 22.561 31.476 1.00 0.00 O ATOM 655 CB ILE A 41 -26.388 24.638 30.457 1.00 0.00 C ATOM 656 CG1 ILE A 41 -25.535 25.486 29.512 1.00 0.00 C ATOM 657 CG2 ILE A 41 -25.877 24.820 31.888 1.00 0.00 C ATOM 658 CD1 ILE A 41 -26.438 26.432 28.719 1.00 0.00 C ATOM 0 H ILE A 41 -27.748 23.510 28.528 1.00 0.00 H new ATOM 0 HA ILE A 41 -25.232 22.879 30.016 1.00 0.00 H new ATOM 0 HB ILE A 41 -27.430 24.952 30.398 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -24.802 26.058 30.081 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -24.978 24.842 28.831 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -25.953 25.870 32.171 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -26.478 24.217 32.568 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -24.836 24.503 31.946 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -25.830 27.036 28.046 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -27.154 25.850 28.138 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -26.975 27.085 29.407 1.00 0.00 H new ATOM 670 N THR A 42 -26.383 21.227 31.522 1.00 0.00 N ATOM 671 CA THR A 42 -27.043 20.322 32.517 1.00 0.00 C ATOM 672 C THR A 42 -26.627 20.697 33.940 1.00 0.00 C ATOM 673 O THR A 42 -25.467 21.007 34.203 1.00 0.00 O ATOM 674 CB THR A 42 -26.633 18.871 32.247 1.00 0.00 C ATOM 675 OG1 THR A 42 -27.041 18.507 30.942 1.00 0.00 O ATOM 676 CG2 THR A 42 -27.306 17.942 33.256 1.00 0.00 C ATOM 0 H THR A 42 -25.444 20.948 31.238 1.00 0.00 H new ATOM 0 HA THR A 42 -28.123 20.430 32.418 1.00 0.00 H new ATOM 0 HB THR A 42 -25.551 18.782 32.340 1.00 0.00 H new ATOM 0 HG1 THR A 42 -26.779 17.580 30.764 1.00 0.00 H new ATOM 0 HG21 THR A 42 -27.009 16.912 33.057 1.00 0.00 H new ATOM 0 HG22 THR A 42 -27.001 18.219 34.265 1.00 0.00 H new ATOM 0 HG23 THR A 42 -28.389 18.031 33.167 1.00 0.00 H new ATOM 684 N ALA A 43 -27.546 20.645 34.870 1.00 0.00 N ATOM 685 CA ALA A 43 -27.211 20.967 36.282 1.00 0.00 C ATOM 686 C ALA A 43 -27.231 19.661 37.090 1.00 0.00 C ATOM 687 O ALA A 43 -28.030 18.760 36.826 1.00 0.00 O ATOM 688 CB ALA A 43 -28.248 21.951 36.832 1.00 0.00 C ATOM 0 H ALA A 43 -28.520 20.391 34.706 1.00 0.00 H new ATOM 0 HA ALA A 43 -26.224 21.425 36.352 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -28.008 22.191 37.868 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -28.236 22.863 36.236 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -29.239 21.500 36.785 1.00 0.00 H new ATOM 694 N CYS A 44 -26.364 19.527 38.050 1.00 0.00 N ATOM 695 CA CYS A 44 -26.335 18.268 38.849 1.00 0.00 C ATOM 696 C CYS A 44 -26.025 18.579 40.317 1.00 0.00 C ATOM 697 O CYS A 44 -25.321 19.537 40.641 1.00 0.00 O ATOM 698 CB CYS A 44 -25.259 17.338 38.281 1.00 0.00 C ATOM 699 SG CYS A 44 -25.340 15.736 39.121 1.00 0.00 S ATOM 0 H CYS A 44 -25.675 20.230 38.318 1.00 0.00 H new ATOM 0 HA CYS A 44 -27.310 17.784 38.792 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -25.406 17.206 37.209 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -24.272 17.781 38.415 1.00 0.00 H new ATOM 0 HG CYS A 44 -25.267 14.781 38.242 1.00 0.00 H new ATOM 705 N ILE A 45 -26.533 17.778 41.210 1.00 0.00 N ATOM 706 CA ILE A 45 -26.271 18.000 42.661 1.00 0.00 C ATOM 707 C ILE A 45 -25.784 16.687 43.290 1.00 0.00 C ATOM 708 O ILE A 45 -26.159 15.595 42.858 1.00 0.00 O ATOM 709 CB ILE A 45 -27.558 18.494 43.345 1.00 0.00 C ATOM 710 CG1 ILE A 45 -27.191 19.442 44.486 1.00 0.00 C ATOM 711 CG2 ILE A 45 -28.359 17.316 43.911 1.00 0.00 C ATOM 712 CD1 ILE A 45 -28.462 20.094 45.034 1.00 0.00 C ATOM 0 H ILE A 45 -27.123 16.973 40.997 1.00 0.00 H new ATOM 0 HA ILE A 45 -25.499 18.759 42.793 1.00 0.00 H new ATOM 0 HB ILE A 45 -28.169 19.011 42.605 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -26.679 18.895 45.278 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -26.501 20.207 44.130 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -29.265 17.688 44.390 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -28.629 16.638 43.102 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -27.754 16.783 44.644 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -28.202 20.771 45.848 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -28.955 20.655 44.240 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -29.136 19.322 45.405 1.00 0.00 H new ATOM 724 N VAL A 46 -24.951 16.768 44.289 1.00 0.00 N ATOM 725 CA VAL A 46 -24.431 15.527 44.941 1.00 0.00 C ATOM 726 C VAL A 46 -24.414 15.710 46.465 1.00 0.00 C ATOM 727 O VAL A 46 -23.526 16.354 47.024 1.00 0.00 O ATOM 728 CB VAL A 46 -23.013 15.225 44.428 1.00 0.00 C ATOM 729 CG1 VAL A 46 -23.098 14.624 43.026 1.00 0.00 C ATOM 730 CG2 VAL A 46 -22.191 16.515 44.364 1.00 0.00 C ATOM 0 H VAL A 46 -24.605 17.642 44.686 1.00 0.00 H new ATOM 0 HA VAL A 46 -25.082 14.689 44.693 1.00 0.00 H new ATOM 0 HB VAL A 46 -22.533 14.522 45.109 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -22.094 14.409 42.661 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -23.677 13.701 43.060 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -23.584 15.332 42.355 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.189 16.290 44.000 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -22.673 17.221 43.687 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -22.125 16.954 45.359 1.00 0.00 H new ATOM 740 N GLY A 47 -25.387 15.164 47.147 1.00 0.00 N ATOM 741 CA GLY A 47 -25.441 15.307 48.639 1.00 0.00 C ATOM 742 C GLY A 47 -25.688 16.771 49.017 1.00 0.00 C ATOM 743 O GLY A 47 -26.825 17.199 49.193 1.00 0.00 O ATOM 0 H GLY A 47 -26.149 14.624 46.738 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -26.235 14.679 49.044 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -24.506 14.962 49.080 1.00 0.00 H new ATOM 747 N SER A 48 -24.644 17.547 49.143 1.00 0.00 N ATOM 748 CA SER A 48 -24.812 18.992 49.509 1.00 0.00 C ATOM 749 C SER A 48 -23.999 19.892 48.561 1.00 0.00 C ATOM 750 O SER A 48 -23.723 21.051 48.873 1.00 0.00 O ATOM 751 CB SER A 48 -24.332 19.208 50.945 1.00 0.00 C ATOM 752 OG SER A 48 -22.920 19.023 50.998 1.00 0.00 O ATOM 0 H SER A 48 -23.679 17.246 49.009 1.00 0.00 H new ATOM 0 HA SER A 48 -25.866 19.254 49.422 1.00 0.00 H new ATOM 0 HB2 SER A 48 -24.593 20.211 51.282 1.00 0.00 H new ATOM 0 HB3 SER A 48 -24.828 18.508 51.617 1.00 0.00 H new ATOM 0 HG SER A 48 -22.606 19.162 51.916 1.00 0.00 H new ATOM 758 N ILE A 49 -23.610 19.393 47.414 1.00 0.00 N ATOM 759 CA ILE A 49 -22.818 20.227 46.455 1.00 0.00 C ATOM 760 C ILE A 49 -23.546 20.294 45.105 1.00 0.00 C ATOM 761 O ILE A 49 -24.133 19.314 44.648 1.00 0.00 O ATOM 762 CB ILE A 49 -21.426 19.603 46.264 1.00 0.00 C ATOM 763 CG1 ILE A 49 -20.625 19.716 47.568 1.00 0.00 C ATOM 764 CG2 ILE A 49 -20.674 20.334 45.148 1.00 0.00 C ATOM 765 CD1 ILE A 49 -20.411 21.191 47.923 1.00 0.00 C ATOM 0 H ILE A 49 -23.807 18.443 47.099 1.00 0.00 H new ATOM 0 HA ILE A 49 -22.711 21.236 46.854 1.00 0.00 H new ATOM 0 HB ILE A 49 -21.544 18.553 45.995 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -21.156 19.212 48.376 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -19.663 19.216 47.458 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -19.689 19.886 45.019 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -21.235 20.252 44.217 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -20.562 21.385 45.413 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -19.842 21.263 48.850 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -19.861 21.682 47.120 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -21.378 21.678 48.052 1.00 0.00 H new ATOM 777 N VAL A 50 -23.512 21.427 44.457 1.00 0.00 N ATOM 778 CA VAL A 50 -24.196 21.558 43.130 1.00 0.00 C ATOM 779 C VAL A 50 -23.159 21.898 42.053 1.00 0.00 C ATOM 780 O VAL A 50 -22.154 22.561 42.317 1.00 0.00 O ATOM 781 CB VAL A 50 -25.252 22.672 43.179 1.00 0.00 C ATOM 782 CG1 VAL A 50 -26.364 22.366 42.174 1.00 0.00 C ATOM 783 CG2 VAL A 50 -25.862 22.768 44.580 1.00 0.00 C ATOM 0 H VAL A 50 -23.041 22.270 44.786 1.00 0.00 H new ATOM 0 HA VAL A 50 -24.685 20.613 42.894 1.00 0.00 H new ATOM 0 HB VAL A 50 -24.772 23.619 42.931 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -27.114 23.157 42.209 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -25.942 22.310 41.171 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -26.830 21.413 42.426 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -26.608 23.562 44.598 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -26.334 21.820 44.837 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -25.078 22.990 45.304 1.00 0.00 H new ATOM 793 N THR A 51 -23.386 21.456 40.848 1.00 0.00 N ATOM 794 CA THR A 51 -22.425 21.744 39.732 1.00 0.00 C ATOM 795 C THR A 51 -23.124 21.496 38.394 1.00 0.00 C ATOM 796 O THR A 51 -23.989 20.629 38.282 1.00 0.00 O ATOM 797 CB THR A 51 -21.200 20.826 39.837 1.00 0.00 C ATOM 798 OG1 THR A 51 -20.905 20.565 41.202 1.00 0.00 O ATOM 799 CG2 THR A 51 -19.993 21.497 39.188 1.00 0.00 C ATOM 0 H THR A 51 -24.200 20.903 40.580 1.00 0.00 H new ATOM 0 HA THR A 51 -22.099 22.782 39.800 1.00 0.00 H new ATOM 0 HB THR A 51 -21.420 19.889 39.325 1.00 0.00 H new ATOM 0 HG1 THR A 51 -20.982 21.395 41.718 1.00 0.00 H new ATOM 0 HG21 THR A 51 -19.126 20.841 39.266 1.00 0.00 H new ATOM 0 HG22 THR A 51 -20.207 21.693 38.137 1.00 0.00 H new ATOM 0 HG23 THR A 51 -19.782 22.438 39.697 1.00 0.00 H new ATOM 807 N GLU A 52 -22.784 22.240 37.384 1.00 0.00 N ATOM 808 CA GLU A 52 -23.449 22.056 36.059 1.00 0.00 C ATOM 809 C GLU A 52 -22.409 21.754 34.964 1.00 0.00 C ATOM 810 O GLU A 52 -21.202 21.711 35.215 1.00 0.00 O ATOM 811 CB GLU A 52 -24.231 23.334 35.716 1.00 0.00 C ATOM 812 CG GLU A 52 -23.277 24.541 35.659 1.00 0.00 C ATOM 813 CD GLU A 52 -22.959 25.033 37.075 1.00 0.00 C ATOM 814 OE1 GLU A 52 -23.820 25.653 37.675 1.00 0.00 O ATOM 815 OE2 GLU A 52 -21.858 24.772 37.538 1.00 0.00 O ATOM 0 H GLU A 52 -22.073 22.971 37.414 1.00 0.00 H new ATOM 0 HA GLU A 52 -24.132 21.208 36.112 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -24.736 23.214 34.757 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -25.005 23.508 36.464 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -22.356 24.261 35.148 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -23.731 25.345 35.080 1.00 0.00 H new ATOM 822 N GLY A 53 -22.863 21.528 33.755 1.00 0.00 N ATOM 823 CA GLY A 53 -21.919 21.216 32.631 1.00 0.00 C ATOM 824 C GLY A 53 -22.403 21.882 31.339 1.00 0.00 C ATOM 825 O GLY A 53 -23.556 21.726 30.932 1.00 0.00 O ATOM 0 H GLY A 53 -23.849 21.546 33.496 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -20.917 21.568 32.878 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -21.852 20.137 32.491 1.00 0.00 H new ATOM 829 N GLU A 54 -21.542 22.617 30.689 1.00 0.00 N ATOM 830 CA GLU A 54 -21.918 23.311 29.423 1.00 0.00 C ATOM 831 C GLU A 54 -21.603 22.420 28.201 1.00 0.00 C ATOM 832 O GLU A 54 -21.197 22.902 27.143 1.00 0.00 O ATOM 833 CB GLU A 54 -21.128 24.627 29.349 1.00 0.00 C ATOM 834 CG GLU A 54 -19.640 24.361 29.031 1.00 0.00 C ATOM 835 CD GLU A 54 -18.877 23.960 30.298 1.00 0.00 C ATOM 836 OE1 GLU A 54 -18.392 24.844 30.979 1.00 0.00 O ATOM 837 OE2 GLU A 54 -18.788 22.770 30.561 1.00 0.00 O ATOM 0 H GLU A 54 -20.578 22.768 30.986 1.00 0.00 H new ATOM 0 HA GLU A 54 -22.989 23.516 29.413 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -21.558 25.271 28.582 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -21.212 25.160 30.296 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -19.558 23.570 28.286 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -19.191 25.254 28.598 1.00 0.00 H new ATOM 844 N GLY A 55 -21.797 21.129 28.322 1.00 0.00 N ATOM 845 CA GLY A 55 -21.515 20.208 27.170 1.00 0.00 C ATOM 846 C GLY A 55 -22.299 20.651 25.929 1.00 0.00 C ATOM 847 O GLY A 55 -23.396 21.199 26.027 1.00 0.00 O ATOM 0 H GLY A 55 -22.138 20.671 29.167 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -20.447 20.205 26.952 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -21.789 19.187 27.436 1.00 0.00 H new ATOM 943 N LYS A 62 -24.372 16.273 30.243 1.00 0.00 N ATOM 944 CA LYS A 62 -24.419 15.473 31.509 1.00 0.00 C ATOM 945 C LYS A 62 -23.045 14.852 31.816 1.00 0.00 C ATOM 946 O LYS A 62 -22.596 14.843 32.963 1.00 0.00 O ATOM 947 CB LYS A 62 -25.466 14.366 31.364 1.00 0.00 C ATOM 948 CG LYS A 62 -26.117 14.099 32.722 1.00 0.00 C ATOM 949 CD LYS A 62 -26.079 12.598 33.024 1.00 0.00 C ATOM 950 CE LYS A 62 -27.487 12.101 33.347 1.00 0.00 C ATOM 951 NZ LYS A 62 -27.404 10.706 33.871 1.00 0.00 N ATOM 0 HA LYS A 62 -24.687 16.134 32.334 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -26.223 14.660 30.637 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -24.999 13.456 30.987 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -25.593 14.651 33.503 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -27.148 14.453 32.718 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -25.679 12.055 32.168 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -25.413 12.403 33.864 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -27.956 12.752 34.085 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -28.110 12.131 32.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -28.360 10.301 33.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -26.824 10.128 33.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -26.970 10.715 34.816 1.00 0.00 H new ATOM 965 N LYS A 63 -22.373 14.334 30.820 1.00 0.00 N ATOM 966 CA LYS A 63 -21.030 13.715 31.057 1.00 0.00 C ATOM 967 C LYS A 63 -20.039 14.788 31.521 1.00 0.00 C ATOM 968 O LYS A 63 -19.329 14.613 32.512 1.00 0.00 O ATOM 969 CB LYS A 63 -20.522 13.083 29.756 1.00 0.00 C ATOM 970 CG LYS A 63 -21.100 11.675 29.608 1.00 0.00 C ATOM 971 CD LYS A 63 -20.452 10.981 28.404 1.00 0.00 C ATOM 972 CE LYS A 63 -21.537 10.509 27.434 1.00 0.00 C ATOM 973 NZ LYS A 63 -21.219 11.007 26.063 1.00 0.00 N ATOM 0 H LYS A 63 -22.695 14.312 29.852 1.00 0.00 H new ATOM 0 HA LYS A 63 -21.119 12.948 31.827 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -20.813 13.697 28.904 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -19.433 13.041 29.762 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -20.918 11.098 30.515 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -22.181 11.726 29.474 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -19.773 11.668 27.899 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -19.856 10.132 28.739 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -21.594 9.420 27.435 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -22.512 10.879 27.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -21.954 10.689 25.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -21.185 12.046 26.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -20.296 10.633 25.763 1.00 0.00 H new ATOM 987 N ARG A 64 -19.981 15.892 30.824 1.00 0.00 N ATOM 988 CA ARG A 64 -19.041 16.987 31.209 1.00 0.00 C ATOM 989 C ARG A 64 -19.321 17.442 32.649 1.00 0.00 C ATOM 990 O ARG A 64 -18.399 17.636 33.439 1.00 0.00 O ATOM 991 CB ARG A 64 -19.225 18.165 30.244 1.00 0.00 C ATOM 992 CG ARG A 64 -17.993 19.073 30.297 1.00 0.00 C ATOM 993 CD ARG A 64 -16.778 18.324 29.748 1.00 0.00 C ATOM 994 NE ARG A 64 -15.858 19.302 29.093 1.00 0.00 N ATOM 995 CZ ARG A 64 -14.813 19.732 29.716 1.00 0.00 C ATOM 996 NH1 ARG A 64 -13.721 19.049 29.684 1.00 0.00 N ATOM 997 NH2 ARG A 64 -14.869 20.843 30.368 1.00 0.00 N ATOM 0 H ARG A 64 -20.548 16.084 29.998 1.00 0.00 H new ATOM 0 HA ARG A 64 -18.015 16.622 31.153 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -19.374 17.796 29.229 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -20.117 18.731 30.511 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -18.170 19.977 29.714 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -17.805 19.388 31.323 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -16.261 17.803 30.554 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -17.095 17.567 29.031 1.00 0.00 H new ATOM 0 HE ARG A 64 -16.057 19.632 28.148 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -13.684 18.171 29.167 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.894 19.387 30.176 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -15.737 21.378 30.390 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -14.045 21.187 30.862 1.00 0.00 H new ATOM 1011 N ALA A 65 -20.570 17.612 33.005 1.00 0.00 N ATOM 1012 CA ALA A 65 -20.908 18.052 34.394 1.00 0.00 C ATOM 1013 C ALA A 65 -20.582 16.933 35.400 1.00 0.00 C ATOM 1014 O ALA A 65 -19.993 17.178 36.452 1.00 0.00 O ATOM 1015 CB ALA A 65 -22.401 18.392 34.467 1.00 0.00 C ATOM 0 H ALA A 65 -21.372 17.465 32.392 1.00 0.00 H new ATOM 0 HA ALA A 65 -20.317 18.933 34.645 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -22.652 18.713 35.478 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -22.626 19.195 33.765 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -22.988 17.510 34.210 1.00 0.00 H new ATOM 1021 N ALA A 66 -20.963 15.716 35.101 1.00 0.00 N ATOM 1022 CA ALA A 66 -20.692 14.581 36.039 1.00 0.00 C ATOM 1023 C ALA A 66 -19.186 14.451 36.325 1.00 0.00 C ATOM 1024 O ALA A 66 -18.745 14.633 37.461 1.00 0.00 O ATOM 1025 CB ALA A 66 -21.217 13.282 35.415 1.00 0.00 C ATOM 0 H ALA A 66 -21.452 15.458 34.244 1.00 0.00 H new ATOM 0 HA ALA A 66 -21.200 14.774 36.984 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -21.024 12.449 36.091 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -22.290 13.369 35.243 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -20.711 13.104 34.466 1.00 0.00 H new ATOM 1031 N GLU A 67 -18.392 14.136 35.330 1.00 0.00 N ATOM 1032 CA GLU A 67 -16.916 13.989 35.557 1.00 0.00 C ATOM 1033 C GLU A 67 -16.372 15.230 36.281 1.00 0.00 C ATOM 1034 O GLU A 67 -15.659 15.127 37.280 1.00 0.00 O ATOM 1035 CB GLU A 67 -16.205 13.813 34.209 1.00 0.00 C ATOM 1036 CG GLU A 67 -16.096 12.314 33.883 1.00 0.00 C ATOM 1037 CD GLU A 67 -14.737 11.775 34.336 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -14.546 11.630 35.532 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -13.913 11.508 33.477 1.00 0.00 O ATOM 0 H GLU A 67 -18.700 13.974 34.371 1.00 0.00 H new ATOM 0 HA GLU A 67 -16.732 13.111 36.177 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.758 14.328 33.423 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.212 14.262 34.247 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.897 11.767 34.380 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.219 12.157 32.811 1.00 0.00 H new ATOM 1046 N LYS A 68 -16.711 16.400 35.807 1.00 0.00 N ATOM 1047 CA LYS A 68 -16.233 17.657 36.466 1.00 0.00 C ATOM 1048 C LYS A 68 -16.585 17.648 37.963 1.00 0.00 C ATOM 1049 O LYS A 68 -15.805 18.110 38.795 1.00 0.00 O ATOM 1050 CB LYS A 68 -16.899 18.866 35.799 1.00 0.00 C ATOM 1051 CG LYS A 68 -15.913 20.039 35.752 1.00 0.00 C ATOM 1052 CD LYS A 68 -16.623 21.330 36.180 1.00 0.00 C ATOM 1053 CE LYS A 68 -16.650 21.417 37.708 1.00 0.00 C ATOM 1054 NZ LYS A 68 -16.851 22.839 38.128 1.00 0.00 N ATOM 0 H LYS A 68 -17.301 16.542 34.988 1.00 0.00 H new ATOM 0 HA LYS A 68 -15.150 17.719 36.358 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -17.218 18.606 34.790 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -17.793 19.152 36.353 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -15.067 19.842 36.411 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -15.513 20.150 34.744 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -16.107 22.196 35.765 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -17.639 21.346 35.786 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -17.452 20.794 38.103 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.716 21.034 38.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.179 23.075 38.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.691 23.467 37.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.823 22.964 38.476 1.00 0.00 H new ATOM 1068 N MET A 69 -17.734 17.130 38.325 1.00 0.00 N ATOM 1069 CA MET A 69 -18.115 17.097 39.771 1.00 0.00 C ATOM 1070 C MET A 69 -17.168 16.158 40.521 1.00 0.00 C ATOM 1071 O MET A 69 -16.547 16.529 41.518 1.00 0.00 O ATOM 1072 CB MET A 69 -19.553 16.585 39.906 1.00 0.00 C ATOM 1073 CG MET A 69 -20.532 17.718 39.609 1.00 0.00 C ATOM 1074 SD MET A 69 -22.220 17.129 39.876 1.00 0.00 S ATOM 1075 CE MET A 69 -22.572 18.119 41.348 1.00 0.00 C ATOM 0 H MET A 69 -18.421 16.731 37.685 1.00 0.00 H new ATOM 0 HA MET A 69 -18.045 18.100 40.192 1.00 0.00 H new ATOM 0 HB2 MET A 69 -19.721 15.757 39.218 1.00 0.00 H new ATOM 0 HB3 MET A 69 -19.720 16.202 40.913 1.00 0.00 H new ATOM 0 HG2 MET A 69 -20.326 18.572 40.254 1.00 0.00 H new ATOM 0 HG3 MET A 69 -20.411 18.059 38.581 1.00 0.00 H new ATOM 0 HE1 MET A 69 -23.332 17.620 41.949 1.00 0.00 H new ATOM 0 HE2 MET A 69 -21.661 18.233 41.936 1.00 0.00 H new ATOM 0 HE3 MET A 69 -22.935 19.102 41.047 1.00 0.00 H new ATOM 1085 N LEU A 70 -17.040 14.949 40.052 1.00 0.00 N ATOM 1086 CA LEU A 70 -16.132 13.970 40.709 1.00 0.00 C ATOM 1087 C LEU A 70 -14.713 14.546 40.748 1.00 0.00 C ATOM 1088 O LEU A 70 -14.007 14.434 41.750 1.00 0.00 O ATOM 1089 CB LEU A 70 -16.162 12.669 39.907 1.00 0.00 C ATOM 1090 CG LEU A 70 -17.423 11.880 40.271 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -18.673 12.658 39.869 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -17.420 10.552 39.531 1.00 0.00 C ATOM 0 H LEU A 70 -17.532 14.594 39.232 1.00 0.00 H new ATOM 0 HA LEU A 70 -16.454 13.771 41.731 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -16.151 12.886 38.839 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -15.273 12.076 40.121 1.00 0.00 H new ATOM 0 HG LEU A 70 -17.430 11.715 41.348 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -19.560 12.083 40.135 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -18.690 13.614 40.392 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -18.663 12.833 38.793 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -18.317 9.989 39.789 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -17.403 10.734 38.456 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -16.538 9.979 39.816 1.00 0.00 H new ATOM 1104 N VAL A 71 -14.289 15.177 39.685 1.00 0.00 N ATOM 1105 CA VAL A 71 -12.923 15.783 39.661 1.00 0.00 C ATOM 1106 C VAL A 71 -12.774 16.785 40.825 1.00 0.00 C ATOM 1107 O VAL A 71 -11.690 16.912 41.412 1.00 0.00 O ATOM 1108 CB VAL A 71 -12.716 16.505 38.324 1.00 0.00 C ATOM 1109 CG1 VAL A 71 -11.407 17.291 38.356 1.00 0.00 C ATOM 1110 CG2 VAL A 71 -12.647 15.478 37.193 1.00 0.00 C ATOM 0 H VAL A 71 -14.831 15.300 38.829 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.174 14.999 39.772 1.00 0.00 H new ATOM 0 HB VAL A 71 -13.550 17.187 38.157 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -11.266 17.802 37.403 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.444 18.026 39.160 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -10.576 16.607 38.528 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -12.500 15.992 36.243 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.814 14.797 37.370 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.578 14.912 37.159 1.00 0.00 H new ATOM 1120 N GLU A 72 -13.833 17.484 41.174 1.00 0.00 N ATOM 1121 CA GLU A 72 -13.759 18.470 42.299 1.00 0.00 C ATOM 1122 C GLU A 72 -13.995 17.743 43.632 1.00 0.00 C ATOM 1123 O GLU A 72 -13.153 17.763 44.528 1.00 0.00 O ATOM 1124 CB GLU A 72 -14.838 19.549 42.098 1.00 0.00 C ATOM 1125 CG GLU A 72 -14.415 20.504 40.966 1.00 0.00 C ATOM 1126 CD GLU A 72 -15.573 21.429 40.559 1.00 0.00 C ATOM 1127 OE1 GLU A 72 -16.716 21.007 40.619 1.00 0.00 O ATOM 1128 OE2 GLU A 72 -15.296 22.548 40.154 1.00 0.00 O ATOM 0 H GLU A 72 -14.746 17.412 40.725 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.775 18.938 42.314 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -15.792 19.082 41.855 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.983 20.108 43.023 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.564 21.103 41.291 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.087 19.926 40.102 1.00 0.00 H new ATOM 1135 N LEU A 73 -15.124 17.099 43.772 1.00 0.00 N ATOM 1136 CA LEU A 73 -15.446 16.359 45.033 1.00 0.00 C ATOM 1137 C LEU A 73 -14.341 15.354 45.386 1.00 0.00 C ATOM 1138 O LEU A 73 -14.057 15.120 46.555 1.00 0.00 O ATOM 1139 CB LEU A 73 -16.769 15.628 44.834 1.00 0.00 C ATOM 1140 CG LEU A 73 -17.923 16.594 45.088 1.00 0.00 C ATOM 1141 CD1 LEU A 73 -18.017 17.613 43.952 1.00 0.00 C ATOM 1142 CD2 LEU A 73 -19.217 15.802 45.148 1.00 0.00 C ATOM 0 H LEU A 73 -15.849 17.053 43.056 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.521 17.069 45.857 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -16.829 15.230 43.821 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -16.834 14.779 45.514 1.00 0.00 H new ATOM 0 HG LEU A 73 -17.753 17.121 46.027 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -18.844 18.297 44.144 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -17.086 18.177 43.891 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -18.188 17.093 43.010 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -20.051 16.480 45.329 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -19.370 15.283 44.202 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -19.160 15.073 45.956 1.00 0.00 H new ATOM 1154 N GLN A 74 -13.696 14.768 44.412 1.00 0.00 N ATOM 1155 CA GLN A 74 -12.594 13.802 44.725 1.00 0.00 C ATOM 1156 C GLN A 74 -11.283 14.578 44.962 1.00 0.00 C ATOM 1157 O GLN A 74 -10.181 14.056 44.782 1.00 0.00 O ATOM 1158 CB GLN A 74 -12.418 12.840 43.554 1.00 0.00 C ATOM 1159 CG GLN A 74 -13.689 11.988 43.391 1.00 0.00 C ATOM 1160 CD GLN A 74 -13.382 10.517 43.680 1.00 0.00 C ATOM 1161 OE1 GLN A 74 -13.854 9.956 44.664 1.00 0.00 O ATOM 1162 NE2 GLN A 74 -12.615 9.853 42.873 1.00 0.00 N ATOM 0 H GLN A 74 -13.880 14.913 43.419 1.00 0.00 H new ATOM 0 HA GLN A 74 -12.845 13.237 45.623 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -12.222 13.398 42.638 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -11.556 12.196 43.726 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -14.464 12.345 44.069 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -14.078 12.093 42.378 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -12.219 10.312 42.053 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -12.408 8.872 43.058 1.00 0.00 H new ATOM 1171 N LYS A 75 -11.392 15.822 45.339 1.00 0.00 N ATOM 1172 CA LYS A 75 -10.186 16.669 45.589 1.00 0.00 C ATOM 1173 C LYS A 75 -10.330 17.450 46.918 1.00 0.00 C ATOM 1174 O LYS A 75 -9.383 18.100 47.361 1.00 0.00 O ATOM 1175 CB LYS A 75 -10.038 17.665 44.436 1.00 0.00 C ATOM 1176 CG LYS A 75 -8.580 17.715 43.976 1.00 0.00 C ATOM 1177 CD LYS A 75 -8.532 18.132 42.503 1.00 0.00 C ATOM 1178 CE LYS A 75 -8.337 16.899 41.622 1.00 0.00 C ATOM 1179 NZ LYS A 75 -9.424 15.913 41.902 1.00 0.00 N ATOM 0 H LYS A 75 -12.282 16.298 45.488 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.308 16.026 45.657 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.681 17.372 43.606 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.362 18.655 44.756 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.018 18.423 44.585 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.111 16.740 44.106 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.455 18.643 42.230 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.717 18.838 42.342 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.351 17.184 40.570 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.364 16.449 41.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.363 15.127 41.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.318 15.544 42.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.349 16.380 41.809 1.00 0.00 H new ATOM 1193 N LEU A 76 -11.484 17.414 47.545 1.00 0.00 N ATOM 1194 CA LEU A 76 -11.678 18.157 48.823 1.00 0.00 C ATOM 1195 C LEU A 76 -11.594 17.190 50.018 1.00 0.00 C ATOM 1196 O LEU A 76 -12.277 16.174 49.996 1.00 0.00 O ATOM 1197 CB LEU A 76 -13.058 18.820 48.796 1.00 0.00 C ATOM 1198 CG LEU A 76 -13.151 19.786 47.613 1.00 0.00 C ATOM 1199 CD1 LEU A 76 -14.576 19.788 47.064 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -12.789 21.195 48.076 1.00 0.00 C ATOM 1201 OXT LEU A 76 -10.851 17.487 50.941 1.00 0.00 O ATOM 0 H LEU A 76 -12.301 16.897 47.220 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.899 18.911 48.930 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -13.835 18.059 48.717 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.231 19.357 49.729 1.00 0.00 H new ATOM 0 HG LEU A 76 -12.460 19.467 46.833 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -14.640 20.477 46.222 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -14.840 18.784 46.733 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -15.267 20.105 47.845 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -12.855 21.883 47.233 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -13.481 21.510 48.857 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -11.772 21.199 48.469 1.00 0.00 H new