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 -133:sc= 1.17 USER MOD Set 1.2: A 69 MET CE :methyl 173:sc= -1.72 (180deg=-1.65) USER MOD Single : A 11 SER OG : rot 73:sc= 0.143 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 HIS : no HE2:sc= -0.946 K(o=-0.95,f=-0.067) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0.131 X(o=0.13,f=0) USER MOD Single : A 22 MET CE :methyl -150:sc= -0.142 (180deg=-1.06) USER MOD Single : A 23 THR OG1 : rot -100:sc= -2.07! USER MOD Single : A 25 HIS : no HE2:sc= -1.98 K(o=-2,f=-8.8!) USER MOD Single : A 27 LYS NZ :NH3+ -133:sc= 0.33 (180deg=-0.779) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot -160:sc= -6.08! 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+ -103:sc= 0.223! (180deg=-3.49!) USER MOD Single : A 74 GLN : amide:sc= -0.719 K(o=-0.72,f=-2) USER MOD Single : A 75 LYS NZ :NH3+ -126:sc= 0.423 (180deg=-2.03!) USER MOD ----------------------------------------------------------------- ATOM 121 N PRO A 9 -18.129 7.531 35.516 1.00 0.00 N ATOM 122 CA PRO A 9 -18.500 8.786 36.203 1.00 0.00 C ATOM 123 C PRO A 9 -19.704 8.552 37.128 1.00 0.00 C ATOM 124 O PRO A 9 -19.593 8.643 38.348 1.00 0.00 O ATOM 125 CB PRO A 9 -18.838 9.741 35.049 1.00 0.00 C ATOM 126 CG PRO A 9 -19.184 8.849 33.833 1.00 0.00 C ATOM 127 CD PRO A 9 -18.516 7.485 34.088 1.00 0.00 C ATOM 0 HA PRO A 9 -17.713 9.183 36.845 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -19.678 10.385 35.310 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -17.994 10.394 34.825 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -20.263 8.739 33.727 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -18.817 9.294 32.908 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -19.202 6.662 33.888 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -17.648 7.340 33.445 1.00 0.00 H new ATOM 135 N ILE A 10 -20.847 8.233 36.577 1.00 0.00 N ATOM 136 CA ILE A 10 -22.046 7.976 37.434 1.00 0.00 C ATOM 137 C ILE A 10 -21.772 6.761 38.334 1.00 0.00 C ATOM 138 O ILE A 10 -22.094 6.769 39.520 1.00 0.00 O ATOM 139 CB ILE A 10 -23.274 7.707 36.550 1.00 0.00 C ATOM 140 CG1 ILE A 10 -23.469 8.860 35.552 1.00 0.00 C ATOM 141 CG2 ILE A 10 -24.522 7.596 37.428 1.00 0.00 C ATOM 142 CD1 ILE A 10 -23.637 10.184 36.305 1.00 0.00 C ATOM 0 H ILE A 10 -21.003 8.139 35.573 1.00 0.00 H new ATOM 0 HA ILE A 10 -22.245 8.851 38.053 1.00 0.00 H new ATOM 0 HB ILE A 10 -23.117 6.777 36.004 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -22.612 8.920 34.881 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -24.346 8.671 34.932 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -25.393 7.405 36.800 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -24.398 6.776 38.135 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -24.666 8.528 37.975 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -23.774 10.995 35.589 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -24.508 10.124 36.957 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -22.748 10.377 36.905 1.00 0.00 H new ATOM 154 N SER A 11 -21.170 5.724 37.797 1.00 0.00 N ATOM 155 CA SER A 11 -20.863 4.513 38.627 1.00 0.00 C ATOM 156 C SER A 11 -20.060 4.926 39.866 1.00 0.00 C ATOM 157 O SER A 11 -20.517 4.755 40.990 1.00 0.00 O ATOM 158 CB SER A 11 -20.051 3.497 37.810 1.00 0.00 C ATOM 159 OG SER A 11 -19.877 3.980 36.478 1.00 0.00 O ATOM 0 H SER A 11 -20.878 5.664 36.821 1.00 0.00 H new ATOM 0 HA SER A 11 -21.802 4.053 38.934 1.00 0.00 H new ATOM 0 HB2 SER A 11 -19.080 3.333 38.277 1.00 0.00 H new ATOM 0 HB3 SER A 11 -20.564 2.535 37.794 1.00 0.00 H new ATOM 0 HG SER A 11 -19.230 4.716 36.479 1.00 0.00 H new ATOM 165 N GLN A 12 -18.883 5.475 39.683 1.00 0.00 N ATOM 166 CA GLN A 12 -18.057 5.904 40.858 1.00 0.00 C ATOM 167 C GLN A 12 -18.875 6.832 41.768 1.00 0.00 C ATOM 168 O GLN A 12 -18.844 6.703 42.993 1.00 0.00 O ATOM 169 CB GLN A 12 -16.799 6.620 40.362 1.00 0.00 C ATOM 170 CG GLN A 12 -15.673 5.592 40.197 1.00 0.00 C ATOM 171 CD GLN A 12 -14.480 6.231 39.488 1.00 0.00 C ATOM 172 OE1 GLN A 12 -13.716 6.973 40.093 1.00 0.00 O ATOM 173 NE2 GLN A 12 -14.273 5.985 38.232 1.00 0.00 N ATOM 0 H GLN A 12 -18.458 5.645 38.771 1.00 0.00 H new ATOM 0 HA GLN A 12 -17.765 5.026 41.434 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -16.998 7.116 39.412 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -16.502 7.394 41.070 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -15.367 5.216 41.173 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -16.031 4.737 39.624 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -14.905 5.368 37.722 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -13.478 6.408 37.754 1.00 0.00 H new ATOM 182 N VAL A 13 -19.628 7.749 41.206 1.00 0.00 N ATOM 183 CA VAL A 13 -20.463 8.648 42.066 1.00 0.00 C ATOM 184 C VAL A 13 -21.406 7.771 42.903 1.00 0.00 C ATOM 185 O VAL A 13 -21.599 7.999 44.097 1.00 0.00 O ATOM 186 CB VAL A 13 -21.280 9.614 41.198 1.00 0.00 C ATOM 187 CG1 VAL A 13 -22.132 10.504 42.100 1.00 0.00 C ATOM 188 CG2 VAL A 13 -20.342 10.505 40.383 1.00 0.00 C ATOM 0 H VAL A 13 -19.700 7.913 40.202 1.00 0.00 H new ATOM 0 HA VAL A 13 -19.819 9.240 42.716 1.00 0.00 H new ATOM 0 HB VAL A 13 -21.914 9.036 40.526 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -22.714 11.192 41.487 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -22.807 9.884 42.690 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -21.484 11.072 42.767 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -20.930 11.188 39.770 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -19.707 11.079 41.058 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -19.719 9.884 39.739 1.00 0.00 H new ATOM 198 N HIS A 14 -21.967 6.748 42.309 1.00 0.00 N ATOM 199 CA HIS A 14 -22.855 5.829 43.076 1.00 0.00 C ATOM 200 C HIS A 14 -21.983 5.037 44.066 1.00 0.00 C ATOM 201 O HIS A 14 -22.345 4.848 45.224 1.00 0.00 O ATOM 202 CB HIS A 14 -23.547 4.867 42.105 1.00 0.00 C ATOM 203 CG HIS A 14 -24.722 5.547 41.460 1.00 0.00 C ATOM 204 ND1 HIS A 14 -26.002 5.026 41.531 1.00 0.00 N ATOM 205 CD2 HIS A 14 -24.828 6.704 40.729 1.00 0.00 C ATOM 206 CE1 HIS A 14 -26.819 5.862 40.861 1.00 0.00 C ATOM 207 NE2 HIS A 14 -26.154 6.902 40.353 1.00 0.00 N ATOM 0 H HIS A 14 -21.847 6.511 41.324 1.00 0.00 H new ATOM 0 HA HIS A 14 -23.616 6.392 43.617 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -22.842 4.538 41.341 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -23.879 3.976 42.637 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -26.277 4.165 42.005 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -24.007 7.361 40.483 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -27.882 5.709 40.749 1.00 0.00 H new ATOM 215 N GLU A 15 -20.828 4.598 43.624 1.00 0.00 N ATOM 216 CA GLU A 15 -19.895 3.835 44.512 1.00 0.00 C ATOM 217 C GLU A 15 -19.558 4.670 45.761 1.00 0.00 C ATOM 218 O GLU A 15 -19.530 4.160 46.880 1.00 0.00 O ATOM 219 CB GLU A 15 -18.603 3.533 43.738 1.00 0.00 C ATOM 220 CG GLU A 15 -18.797 2.290 42.853 1.00 0.00 C ATOM 221 CD GLU A 15 -18.185 2.518 41.467 1.00 0.00 C ATOM 222 OE1 GLU A 15 -17.022 2.870 41.403 1.00 0.00 O ATOM 223 OE2 GLU A 15 -18.888 2.321 40.491 1.00 0.00 O ATOM 0 H GLU A 15 -20.488 4.738 42.672 1.00 0.00 H new ATOM 0 HA GLU A 15 -20.370 2.905 44.823 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -18.330 4.389 43.121 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -17.782 3.368 44.436 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -18.332 1.424 43.325 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -19.860 2.068 42.756 1.00 0.00 H new ATOM 230 N ILE A 16 -19.294 5.944 45.594 1.00 0.00 N ATOM 231 CA ILE A 16 -18.960 6.805 46.770 1.00 0.00 C ATOM 232 C ILE A 16 -20.251 7.291 47.456 1.00 0.00 C ATOM 233 O ILE A 16 -20.269 7.534 48.665 1.00 0.00 O ATOM 234 CB ILE A 16 -18.126 8.009 46.309 1.00 0.00 C ATOM 235 CG1 ILE A 16 -18.872 8.789 45.225 1.00 0.00 C ATOM 236 CG2 ILE A 16 -16.792 7.525 45.740 1.00 0.00 C ATOM 237 CD1 ILE A 16 -19.286 10.156 45.770 1.00 0.00 C ATOM 0 H ILE A 16 -19.296 6.424 44.694 1.00 0.00 H new ATOM 0 HA ILE A 16 -18.382 6.221 47.486 1.00 0.00 H new ATOM 0 HB ILE A 16 -17.952 8.658 47.167 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -18.235 8.913 44.349 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -19.752 8.233 44.903 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -16.203 8.382 45.414 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -16.245 6.980 46.509 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -16.976 6.867 44.891 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -19.817 10.710 44.996 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -19.938 10.021 46.633 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -18.398 10.712 46.070 1.00 0.00 H new ATOM 249 N GLY A 17 -21.328 7.433 46.717 1.00 0.00 N ATOM 250 CA GLY A 17 -22.618 7.889 47.330 1.00 0.00 C ATOM 251 C GLY A 17 -23.206 6.750 48.164 1.00 0.00 C ATOM 252 O GLY A 17 -23.458 6.899 49.363 1.00 0.00 O ATOM 0 H GLY A 17 -21.369 7.252 45.714 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -22.448 8.765 47.956 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -23.320 8.186 46.551 1.00 0.00 H new ATOM 256 N ILE A 18 -23.402 5.605 47.561 1.00 0.00 N ATOM 257 CA ILE A 18 -23.945 4.432 48.313 1.00 0.00 C ATOM 258 C ILE A 18 -22.815 3.844 49.173 1.00 0.00 C ATOM 259 O ILE A 18 -22.365 2.715 48.983 1.00 0.00 O ATOM 260 CB ILE A 18 -24.462 3.375 47.326 1.00 0.00 C ATOM 261 CG1 ILE A 18 -25.589 3.966 46.470 1.00 0.00 C ATOM 262 CG2 ILE A 18 -24.996 2.167 48.101 1.00 0.00 C ATOM 263 CD1 ILE A 18 -26.746 4.420 47.367 1.00 0.00 C ATOM 0 H ILE A 18 -23.208 5.431 46.575 1.00 0.00 H new ATOM 0 HA ILE A 18 -24.773 4.743 48.950 1.00 0.00 H new ATOM 0 HB ILE A 18 -23.643 3.063 46.678 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -25.213 4.810 45.892 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -25.942 3.223 45.755 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -25.363 1.418 47.399 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -24.195 1.739 48.704 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -25.811 2.484 48.752 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -27.542 4.838 46.751 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -27.130 3.566 47.925 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -26.390 5.179 48.064 1.00 0.00 H new ATOM 275 N LYS A 19 -22.338 4.612 50.108 1.00 0.00 N ATOM 276 CA LYS A 19 -21.226 4.140 50.982 1.00 0.00 C ATOM 277 C LYS A 19 -21.016 5.150 52.117 1.00 0.00 C ATOM 278 O LYS A 19 -20.966 4.791 53.290 1.00 0.00 O ATOM 279 CB LYS A 19 -19.950 4.021 50.140 1.00 0.00 C ATOM 280 CG LYS A 19 -19.259 2.686 50.433 1.00 0.00 C ATOM 281 CD LYS A 19 -19.027 1.940 49.114 1.00 0.00 C ATOM 282 CE LYS A 19 -17.603 1.386 49.073 1.00 0.00 C ATOM 283 NZ LYS A 19 -17.450 0.513 47.870 1.00 0.00 N ATOM 0 H LYS A 19 -22.672 5.555 50.308 1.00 0.00 H new ATOM 0 HA LYS A 19 -21.468 3.167 51.410 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -20.195 4.090 49.080 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -19.276 4.847 50.366 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -18.309 2.858 50.940 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -19.873 2.084 51.102 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -19.746 1.127 49.015 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -19.189 2.613 48.272 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -16.883 2.203 49.038 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.395 0.817 49.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -16.482 0.133 47.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -18.129 -0.273 47.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -17.632 1.070 47.011 1.00 0.00 H new ATOM 297 N ARG A 20 -20.912 6.413 51.787 1.00 0.00 N ATOM 298 CA ARG A 20 -20.724 7.456 52.843 1.00 0.00 C ATOM 299 C ARG A 20 -22.076 8.126 53.157 1.00 0.00 C ATOM 300 O ARG A 20 -22.140 9.317 53.455 1.00 0.00 O ATOM 301 CB ARG A 20 -19.728 8.510 52.341 1.00 0.00 C ATOM 302 CG ARG A 20 -18.324 7.899 52.253 1.00 0.00 C ATOM 303 CD ARG A 20 -18.019 7.512 50.803 1.00 0.00 C ATOM 304 NE ARG A 20 -18.049 8.736 49.944 1.00 0.00 N ATOM 305 CZ ARG A 20 -17.049 9.552 49.935 1.00 0.00 C ATOM 306 NH1 ARG A 20 -16.977 10.489 50.817 1.00 0.00 N ATOM 307 NH2 ARG A 20 -16.126 9.427 49.044 1.00 0.00 N ATOM 0 H ARG A 20 -20.949 6.768 50.831 1.00 0.00 H new ATOM 0 HA ARG A 20 -20.337 6.992 53.750 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -20.036 8.878 51.362 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -19.720 9.366 53.015 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -17.583 8.613 52.612 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -18.258 7.021 52.895 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -17.041 7.035 50.741 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -18.751 6.787 50.447 1.00 0.00 H new ATOM 0 HE ARG A 20 -18.865 8.927 49.362 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -17.709 10.585 51.520 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -16.188 11.135 50.812 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -16.187 8.684 48.348 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -15.335 10.071 49.035 1.00 0.00 H new ATOM 321 N ASN A 21 -23.157 7.379 53.093 1.00 0.00 N ATOM 322 CA ASN A 21 -24.513 7.956 53.382 1.00 0.00 C ATOM 323 C ASN A 21 -24.730 9.242 52.560 1.00 0.00 C ATOM 324 O ASN A 21 -25.138 10.279 53.086 1.00 0.00 O ATOM 325 CB ASN A 21 -24.620 8.266 54.879 1.00 0.00 C ATOM 326 CG ASN A 21 -26.088 8.294 55.292 1.00 0.00 C ATOM 327 OD1 ASN A 21 -26.643 7.283 55.697 1.00 0.00 O ATOM 328 ND2 ASN A 21 -26.757 9.401 55.202 1.00 0.00 N ATOM 0 H ASN A 21 -23.157 6.388 52.851 1.00 0.00 H new ATOM 0 HA ASN A 21 -25.280 7.233 53.104 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -24.084 7.513 55.456 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -24.152 9.226 55.096 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -27.741 9.425 55.469 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -26.299 10.248 54.865 1.00 0.00 H new ATOM 335 N MET A 22 -24.466 9.194 51.280 1.00 0.00 N ATOM 336 CA MET A 22 -24.651 10.410 50.431 1.00 0.00 C ATOM 337 C MET A 22 -25.737 10.154 49.373 1.00 0.00 C ATOM 338 O MET A 22 -25.589 9.304 48.495 1.00 0.00 O ATOM 339 CB MET A 22 -23.323 10.745 49.747 1.00 0.00 C ATOM 340 CG MET A 22 -22.349 11.326 50.778 1.00 0.00 C ATOM 341 SD MET A 22 -20.949 12.091 49.921 1.00 0.00 S ATOM 342 CE MET A 22 -21.270 13.793 50.447 1.00 0.00 C ATOM 0 H MET A 22 -24.131 8.367 50.786 1.00 0.00 H new ATOM 0 HA MET A 22 -24.964 11.247 51.054 1.00 0.00 H new ATOM 0 HB2 MET A 22 -22.898 9.849 49.295 1.00 0.00 H new ATOM 0 HB3 MET A 22 -23.487 11.461 48.942 1.00 0.00 H new ATOM 0 HG2 MET A 22 -22.857 12.064 51.398 1.00 0.00 H new ATOM 0 HG3 MET A 22 -21.995 10.539 51.444 1.00 0.00 H new ATOM 0 HE1 MET A 22 -20.916 14.483 49.681 1.00 0.00 H new ATOM 0 HE2 MET A 22 -22.341 13.933 50.594 1.00 0.00 H new ATOM 0 HE3 MET A 22 -20.747 13.989 51.383 1.00 0.00 H new ATOM 352 N THR A 23 -26.826 10.876 49.442 1.00 0.00 N ATOM 353 CA THR A 23 -27.930 10.687 48.446 1.00 0.00 C ATOM 354 C THR A 23 -27.534 11.314 47.106 1.00 0.00 C ATOM 355 O THR A 23 -27.704 12.511 46.888 1.00 0.00 O ATOM 356 CB THR A 23 -29.207 11.361 48.963 1.00 0.00 C ATOM 357 OG1 THR A 23 -28.860 12.401 49.865 1.00 0.00 O ATOM 358 CG2 THR A 23 -30.071 10.336 49.694 1.00 0.00 C ATOM 0 H THR A 23 -27.001 11.592 50.147 1.00 0.00 H new ATOM 0 HA THR A 23 -28.108 9.621 48.307 1.00 0.00 H new ATOM 0 HB THR A 23 -29.762 11.772 48.119 1.00 0.00 H new ATOM 0 HG1 THR A 23 -28.968 12.085 50.786 1.00 0.00 H new ATOM 0 HG21 THR A 23 -30.977 10.819 50.060 1.00 0.00 H new ATOM 0 HG22 THR A 23 -30.339 9.532 49.009 1.00 0.00 H new ATOM 0 HG23 THR A 23 -29.514 9.925 50.536 1.00 0.00 H new ATOM 366 N VAL A 24 -27.004 10.529 46.207 1.00 0.00 N ATOM 367 CA VAL A 24 -26.588 11.075 44.875 1.00 0.00 C ATOM 368 C VAL A 24 -27.805 11.144 43.939 1.00 0.00 C ATOM 369 O VAL A 24 -28.308 10.123 43.462 1.00 0.00 O ATOM 370 CB VAL A 24 -25.514 10.162 44.267 1.00 0.00 C ATOM 371 CG1 VAL A 24 -25.154 10.647 42.863 1.00 0.00 C ATOM 372 CG2 VAL A 24 -24.260 10.196 45.142 1.00 0.00 C ATOM 0 H VAL A 24 -26.839 9.530 46.334 1.00 0.00 H new ATOM 0 HA VAL A 24 -26.182 12.078 45.003 1.00 0.00 H new ATOM 0 HB VAL A 24 -25.901 9.145 44.213 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -24.391 9.995 42.437 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -26.043 10.627 42.232 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -24.771 11.666 42.917 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -23.497 9.548 44.710 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -23.881 11.217 45.195 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -24.507 9.848 46.145 1.00 0.00 H new ATOM 382 N HIS A 25 -28.295 12.326 43.668 1.00 0.00 N ATOM 383 CA HIS A 25 -29.483 12.456 42.763 1.00 0.00 C ATOM 384 C HIS A 25 -29.199 13.509 41.679 1.00 0.00 C ATOM 385 O HIS A 25 -29.149 14.714 41.950 1.00 0.00 O ATOM 386 CB HIS A 25 -30.718 12.875 43.577 1.00 0.00 C ATOM 387 CG HIS A 25 -30.914 11.956 44.756 1.00 0.00 C ATOM 388 ND1 HIS A 25 -30.500 10.633 44.749 1.00 0.00 N ATOM 389 CD2 HIS A 25 -31.490 12.160 45.984 1.00 0.00 C ATOM 390 CE1 HIS A 25 -30.832 10.098 45.939 1.00 0.00 C ATOM 391 NE2 HIS A 25 -31.438 10.986 46.728 1.00 0.00 N ATOM 0 H HIS A 25 -27.928 13.206 44.031 1.00 0.00 H new ATOM 0 HA HIS A 25 -29.675 11.493 42.289 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -30.600 13.901 43.925 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -31.603 12.854 42.942 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -30.030 10.152 43.982 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -31.919 13.092 46.322 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -30.632 9.075 46.220 1.00 0.00 H new ATOM 399 N PHE A 26 -29.020 13.083 40.456 1.00 0.00 N ATOM 400 CA PHE A 26 -28.742 14.051 39.344 1.00 0.00 C ATOM 401 C PHE A 26 -30.051 14.706 38.873 1.00 0.00 C ATOM 402 O PHE A 26 -31.143 14.211 39.147 1.00 0.00 O ATOM 403 CB PHE A 26 -28.091 13.302 38.173 1.00 0.00 C ATOM 404 CG PHE A 26 -26.857 12.578 38.660 1.00 0.00 C ATOM 405 CD1 PHE A 26 -25.640 13.260 38.757 1.00 0.00 C ATOM 406 CD2 PHE A 26 -26.933 11.227 39.017 1.00 0.00 C ATOM 407 CE1 PHE A 26 -24.498 12.593 39.212 1.00 0.00 C ATOM 408 CE2 PHE A 26 -25.790 10.559 39.472 1.00 0.00 C ATOM 409 CZ PHE A 26 -24.573 11.241 39.569 1.00 0.00 C ATOM 0 H PHE A 26 -29.054 12.103 40.175 1.00 0.00 H new ATOM 0 HA PHE A 26 -28.069 14.829 39.705 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -28.797 12.591 37.745 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -27.826 14.003 37.382 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -25.582 14.302 38.480 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -27.873 10.700 38.942 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -23.559 13.120 39.288 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -25.848 9.517 39.748 1.00 0.00 H new ATOM 0 HZ PHE A 26 -23.691 10.725 39.919 1.00 0.00 H new ATOM 419 N LYS A 27 -29.963 15.814 38.180 1.00 0.00 N ATOM 420 CA LYS A 27 -31.200 16.508 37.695 1.00 0.00 C ATOM 421 C LYS A 27 -30.859 17.442 36.525 1.00 0.00 C ATOM 422 O LYS A 27 -29.770 18.004 36.458 1.00 0.00 O ATOM 423 CB LYS A 27 -31.787 17.348 38.834 1.00 0.00 C ATOM 424 CG LYS A 27 -32.998 16.636 39.442 1.00 0.00 C ATOM 425 CD LYS A 27 -33.013 16.863 40.957 1.00 0.00 C ATOM 426 CE LYS A 27 -32.128 15.820 41.642 1.00 0.00 C ATOM 427 NZ LYS A 27 -30.844 16.458 42.064 1.00 0.00 N ATOM 0 H LYS A 27 -29.086 16.270 37.928 1.00 0.00 H new ATOM 0 HA LYS A 27 -31.919 15.758 37.365 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -31.030 17.515 39.601 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -32.082 18.328 38.459 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -33.918 17.015 38.997 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -32.954 15.569 39.223 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -32.655 17.866 41.188 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -34.033 16.794 41.335 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -32.642 15.404 42.508 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -31.929 14.992 40.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -30.046 15.854 41.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -30.753 17.389 41.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -30.838 16.576 43.097 1.00 0.00 H new ATOM 441 N VAL A 28 -31.776 17.642 35.618 1.00 0.00 N ATOM 442 CA VAL A 28 -31.511 18.569 34.473 1.00 0.00 C ATOM 443 C VAL A 28 -32.460 19.768 34.585 1.00 0.00 C ATOM 444 O VAL A 28 -33.671 19.610 34.732 1.00 0.00 O ATOM 445 CB VAL A 28 -31.738 17.843 33.142 1.00 0.00 C ATOM 446 CG1 VAL A 28 -31.536 18.824 31.986 1.00 0.00 C ATOM 447 CG2 VAL A 28 -30.729 16.704 33.002 1.00 0.00 C ATOM 0 H VAL A 28 -32.698 17.205 35.617 1.00 0.00 H new ATOM 0 HA VAL A 28 -30.476 18.910 34.506 1.00 0.00 H new ATOM 0 HB VAL A 28 -32.752 17.444 33.120 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -31.697 18.309 31.039 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -32.247 19.646 32.078 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -30.520 19.218 32.016 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -30.891 16.188 32.055 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -29.717 17.109 33.026 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -30.858 16.001 33.825 1.00 0.00 H new ATOM 457 N LEU A 29 -31.937 20.962 34.532 1.00 0.00 N ATOM 458 CA LEU A 29 -32.819 22.167 34.652 1.00 0.00 C ATOM 459 C LEU A 29 -33.518 22.427 33.313 1.00 0.00 C ATOM 460 O LEU A 29 -34.749 22.435 33.227 1.00 0.00 O ATOM 461 CB LEU A 29 -31.985 23.396 35.062 1.00 0.00 C ATOM 462 CG LEU A 29 -30.892 22.992 36.057 1.00 0.00 C ATOM 463 CD1 LEU A 29 -30.100 24.227 36.476 1.00 0.00 C ATOM 464 CD2 LEU A 29 -31.526 22.369 37.300 1.00 0.00 C ATOM 0 H LEU A 29 -30.944 21.159 34.412 1.00 0.00 H new ATOM 0 HA LEU A 29 -33.571 21.985 35.420 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -31.533 23.848 34.179 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -32.633 24.150 35.510 1.00 0.00 H new ATOM 0 HG LEU A 29 -30.230 22.269 35.580 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -29.323 23.938 37.184 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -29.640 24.680 35.597 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -30.770 24.947 36.947 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -30.744 22.084 38.003 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -32.191 23.093 37.771 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -32.096 21.485 37.014 1.00 0.00 H new ATOM 476 N ARG A 30 -32.763 22.634 32.271 1.00 0.00 N ATOM 477 CA ARG A 30 -33.380 22.890 30.927 1.00 0.00 C ATOM 478 C ARG A 30 -32.291 22.967 29.842 1.00 0.00 C ATOM 479 O ARG A 30 -31.108 23.142 30.135 1.00 0.00 O ATOM 480 CB ARG A 30 -34.157 24.215 30.969 1.00 0.00 C ATOM 481 CG ARG A 30 -35.322 24.166 29.972 1.00 0.00 C ATOM 482 CD ARG A 30 -36.651 24.189 30.731 1.00 0.00 C ATOM 483 NE ARG A 30 -37.139 22.786 30.908 1.00 0.00 N ATOM 484 CZ ARG A 30 -37.819 22.459 31.956 1.00 0.00 C ATOM 485 NH1 ARG A 30 -37.208 22.174 33.053 1.00 0.00 N ATOM 486 NH2 ARG A 30 -39.105 22.422 31.899 1.00 0.00 N ATOM 0 H ARG A 30 -31.743 22.638 32.286 1.00 0.00 H new ATOM 0 HA ARG A 30 -34.057 22.071 30.686 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -34.535 24.394 31.976 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -33.493 25.044 30.726 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -35.266 25.015 29.291 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -35.255 23.264 29.364 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -36.521 24.667 31.702 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -37.387 24.777 30.182 1.00 0.00 H new ATOM 0 HE ARG A 30 -36.934 22.084 30.197 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -36.189 22.207 33.093 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -37.743 21.915 33.882 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -39.584 22.651 31.028 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -39.645 22.164 32.725 1.00 0.00 H new ATOM 631 N PHE A 40 -26.711 21.924 27.792 1.00 0.00 N ATOM 632 CA PHE A 40 -27.520 21.141 28.783 1.00 0.00 C ATOM 633 C PHE A 40 -26.970 21.328 30.206 1.00 0.00 C ATOM 634 O PHE A 40 -25.927 20.781 30.571 1.00 0.00 O ATOM 635 CB PHE A 40 -27.473 19.658 28.402 1.00 0.00 C ATOM 636 CG PHE A 40 -28.552 19.369 27.387 1.00 0.00 C ATOM 637 CD1 PHE A 40 -28.403 19.801 26.064 1.00 0.00 C ATOM 638 CD2 PHE A 40 -29.702 18.670 27.768 1.00 0.00 C ATOM 639 CE1 PHE A 40 -29.404 19.537 25.124 1.00 0.00 C ATOM 640 CE2 PHE A 40 -30.705 18.405 26.827 1.00 0.00 C ATOM 641 CZ PHE A 40 -30.555 18.838 25.505 1.00 0.00 C ATOM 0 HA PHE A 40 -28.549 21.501 28.765 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -26.495 19.407 27.991 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -27.615 19.039 29.288 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -27.514 20.339 25.769 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -29.817 18.334 28.788 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -29.289 19.873 24.104 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -31.594 17.867 27.122 1.00 0.00 H new ATOM 0 HZ PHE A 40 -31.327 18.633 24.779 1.00 0.00 H new ATOM 651 N ILE A 41 -27.660 22.082 31.022 1.00 0.00 N ATOM 652 CA ILE A 41 -27.192 22.301 32.429 1.00 0.00 C ATOM 653 C ILE A 41 -27.754 21.194 33.344 1.00 0.00 C ATOM 654 O ILE A 41 -28.966 20.990 33.440 1.00 0.00 O ATOM 655 CB ILE A 41 -27.648 23.687 32.917 1.00 0.00 C ATOM 656 CG1 ILE A 41 -27.145 23.924 34.344 1.00 0.00 C ATOM 657 CG2 ILE A 41 -29.176 23.780 32.901 1.00 0.00 C ATOM 658 CD1 ILE A 41 -25.846 24.729 34.303 1.00 0.00 C ATOM 0 H ILE A 41 -28.529 22.557 30.777 1.00 0.00 H new ATOM 0 HA ILE A 41 -26.103 22.260 32.461 1.00 0.00 H new ATOM 0 HB ILE A 41 -27.236 24.444 32.250 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -27.898 24.460 34.922 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -26.978 22.970 34.845 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -29.484 24.766 33.249 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -29.539 23.623 31.885 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -29.594 23.017 33.558 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -25.490 24.897 35.319 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -25.093 24.176 33.741 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -26.028 25.689 33.819 1.00 0.00 H new ATOM 670 N THR A 42 -26.889 20.465 34.006 1.00 0.00 N ATOM 671 CA THR A 42 -27.354 19.355 34.905 1.00 0.00 C ATOM 672 C THR A 42 -27.032 19.685 36.370 1.00 0.00 C ATOM 673 O THR A 42 -25.883 19.921 36.729 1.00 0.00 O ATOM 674 CB THR A 42 -26.640 18.055 34.512 1.00 0.00 C ATOM 675 OG1 THR A 42 -27.017 17.687 33.193 1.00 0.00 O ATOM 676 CG2 THR A 42 -27.031 16.933 35.471 1.00 0.00 C ATOM 0 H THR A 42 -25.877 20.589 33.964 1.00 0.00 H new ATOM 0 HA THR A 42 -28.432 19.238 34.796 1.00 0.00 H new ATOM 0 HB THR A 42 -25.563 18.215 34.561 1.00 0.00 H new ATOM 0 HG1 THR A 42 -26.560 16.858 32.941 1.00 0.00 H new ATOM 0 HG21 THR A 42 -26.519 16.014 35.184 1.00 0.00 H new ATOM 0 HG22 THR A 42 -26.744 17.206 36.487 1.00 0.00 H new ATOM 0 HG23 THR A 42 -28.109 16.777 35.428 1.00 0.00 H new ATOM 684 N ALA A 43 -28.022 19.690 37.224 1.00 0.00 N ATOM 685 CA ALA A 43 -27.780 19.989 38.671 1.00 0.00 C ATOM 686 C ALA A 43 -27.640 18.672 39.456 1.00 0.00 C ATOM 687 O ALA A 43 -28.564 17.853 39.513 1.00 0.00 O ATOM 688 CB ALA A 43 -28.956 20.803 39.221 1.00 0.00 C ATOM 0 H ALA A 43 -28.994 19.499 36.982 1.00 0.00 H new ATOM 0 HA ALA A 43 -26.860 20.564 38.778 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -28.785 21.023 40.275 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -29.044 21.736 38.665 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -29.877 20.229 39.115 1.00 0.00 H new ATOM 694 N CYS A 44 -26.503 18.447 40.060 1.00 0.00 N ATOM 695 CA CYS A 44 -26.296 17.182 40.834 1.00 0.00 C ATOM 696 C CYS A 44 -26.411 17.450 42.340 1.00 0.00 C ATOM 697 O CYS A 44 -25.879 18.430 42.855 1.00 0.00 O ATOM 698 CB CYS A 44 -24.901 16.628 40.527 1.00 0.00 C ATOM 699 SG CYS A 44 -24.686 16.498 38.736 1.00 0.00 S ATOM 0 H CYS A 44 -25.706 19.084 40.052 1.00 0.00 H new ATOM 0 HA CYS A 44 -27.060 16.461 40.544 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -24.137 17.281 40.949 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -24.776 15.650 40.991 1.00 0.00 H new ATOM 0 HG CYS A 44 -23.722 15.666 38.474 1.00 0.00 H new ATOM 705 N ILE A 45 -27.076 16.585 43.056 1.00 0.00 N ATOM 706 CA ILE A 45 -27.206 16.771 44.534 1.00 0.00 C ATOM 707 C ILE A 45 -26.664 15.522 45.243 1.00 0.00 C ATOM 708 O ILE A 45 -26.898 14.393 44.809 1.00 0.00 O ATOM 709 CB ILE A 45 -28.681 17.006 44.905 1.00 0.00 C ATOM 710 CG1 ILE A 45 -28.752 17.769 46.227 1.00 0.00 C ATOM 711 CG2 ILE A 45 -29.414 15.670 45.063 1.00 0.00 C ATOM 712 CD1 ILE A 45 -30.177 18.276 46.451 1.00 0.00 C ATOM 0 H ILE A 45 -27.537 15.755 42.683 1.00 0.00 H new ATOM 0 HA ILE A 45 -26.631 17.642 44.850 1.00 0.00 H new ATOM 0 HB ILE A 45 -29.155 17.581 44.109 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -28.453 17.120 47.050 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -28.055 18.607 46.213 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -30.456 15.855 45.325 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -29.369 15.117 44.125 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -28.940 15.086 45.852 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -30.226 18.820 47.394 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -30.459 18.940 45.634 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -30.863 17.430 46.484 1.00 0.00 H new ATOM 724 N VAL A 46 -25.936 15.702 46.311 1.00 0.00 N ATOM 725 CA VAL A 46 -25.370 14.528 47.041 1.00 0.00 C ATOM 726 C VAL A 46 -25.541 14.731 48.554 1.00 0.00 C ATOM 727 O VAL A 46 -24.792 15.474 49.193 1.00 0.00 O ATOM 728 CB VAL A 46 -23.882 14.381 46.692 1.00 0.00 C ATOM 729 CG1 VAL A 46 -23.265 13.259 47.524 1.00 0.00 C ATOM 730 CG2 VAL A 46 -23.739 14.029 45.211 1.00 0.00 C ATOM 0 H VAL A 46 -25.707 16.612 46.711 1.00 0.00 H new ATOM 0 HA VAL A 46 -25.898 13.622 46.745 1.00 0.00 H new ATOM 0 HB VAL A 46 -23.372 15.321 46.904 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -22.209 13.158 47.273 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -23.365 13.494 48.584 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -23.780 12.322 47.310 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -22.683 13.924 44.962 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -24.254 13.090 45.009 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -24.178 14.821 44.605 1.00 0.00 H new ATOM 740 N GLY A 47 -26.517 14.087 49.140 1.00 0.00 N ATOM 741 CA GLY A 47 -26.750 14.234 50.614 1.00 0.00 C ATOM 742 C GLY A 47 -27.218 15.655 50.935 1.00 0.00 C ATOM 743 O GLY A 47 -28.389 15.990 50.775 1.00 0.00 O ATOM 0 H GLY A 47 -27.167 13.463 48.662 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -27.498 13.513 50.945 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -25.832 14.014 51.159 1.00 0.00 H new ATOM 747 N SER A 48 -26.327 16.494 51.389 1.00 0.00 N ATOM 748 CA SER A 48 -26.714 17.900 51.730 1.00 0.00 C ATOM 749 C SER A 48 -25.921 18.899 50.871 1.00 0.00 C ATOM 750 O SER A 48 -25.696 20.041 51.273 1.00 0.00 O ATOM 751 CB SER A 48 -26.415 18.155 53.209 1.00 0.00 C ATOM 752 OG SER A 48 -25.059 17.808 53.477 1.00 0.00 O ATOM 0 H SER A 48 -25.344 16.269 51.540 1.00 0.00 H new ATOM 0 HA SER A 48 -27.777 18.034 51.532 1.00 0.00 H new ATOM 0 HB2 SER A 48 -26.590 19.203 53.453 1.00 0.00 H new ATOM 0 HB3 SER A 48 -27.085 17.566 53.835 1.00 0.00 H new ATOM 0 HG SER A 48 -24.860 17.971 54.423 1.00 0.00 H new ATOM 758 N ILE A 49 -25.492 18.501 49.700 1.00 0.00 N ATOM 759 CA ILE A 49 -24.712 19.434 48.824 1.00 0.00 C ATOM 760 C ILE A 49 -25.252 19.379 47.385 1.00 0.00 C ATOM 761 O ILE A 49 -25.709 18.338 46.915 1.00 0.00 O ATOM 762 CB ILE A 49 -23.232 19.020 48.833 1.00 0.00 C ATOM 763 CG1 ILE A 49 -22.679 19.111 50.257 1.00 0.00 C ATOM 764 CG2 ILE A 49 -22.423 19.954 47.928 1.00 0.00 C ATOM 765 CD1 ILE A 49 -22.247 17.721 50.727 1.00 0.00 C ATOM 0 H ILE A 49 -25.647 17.571 49.311 1.00 0.00 H new ATOM 0 HA ILE A 49 -24.812 20.451 49.203 1.00 0.00 H new ATOM 0 HB ILE A 49 -23.152 17.996 48.469 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -21.832 19.796 50.286 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -23.438 19.514 50.928 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -21.375 19.654 47.940 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -22.806 19.895 46.909 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -22.511 20.978 48.290 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -21.853 17.786 51.741 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -23.105 17.049 50.713 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -21.474 17.336 50.062 1.00 0.00 H new ATOM 777 N VAL A 50 -25.196 20.477 46.674 1.00 0.00 N ATOM 778 CA VAL A 50 -25.690 20.491 45.258 1.00 0.00 C ATOM 779 C VAL A 50 -24.667 21.210 44.370 1.00 0.00 C ATOM 780 O VAL A 50 -24.038 22.182 44.786 1.00 0.00 O ATOM 781 CB VAL A 50 -27.038 21.224 45.157 1.00 0.00 C ATOM 782 CG1 VAL A 50 -27.896 20.561 44.078 1.00 0.00 C ATOM 783 CG2 VAL A 50 -27.786 21.165 46.493 1.00 0.00 C ATOM 0 H VAL A 50 -24.829 21.367 47.011 1.00 0.00 H new ATOM 0 HA VAL A 50 -25.822 19.460 44.928 1.00 0.00 H new ATOM 0 HB VAL A 50 -26.848 22.267 44.902 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -28.852 21.079 44.004 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -27.380 20.614 43.119 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -28.068 19.517 44.340 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -28.737 21.689 46.401 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -27.970 20.125 46.762 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -27.184 21.639 47.268 1.00 0.00 H new ATOM 793 N THR A 51 -24.497 20.754 43.160 1.00 0.00 N ATOM 794 CA THR A 51 -23.519 21.408 42.231 1.00 0.00 C ATOM 795 C THR A 51 -24.050 21.344 40.795 1.00 0.00 C ATOM 796 O THR A 51 -24.468 20.287 40.313 1.00 0.00 O ATOM 797 CB THR A 51 -22.170 20.682 42.296 1.00 0.00 C ATOM 798 OG1 THR A 51 -21.625 20.798 43.605 1.00 0.00 O ATOM 799 CG2 THR A 51 -21.207 21.302 41.286 1.00 0.00 C ATOM 0 H THR A 51 -24.993 19.953 42.769 1.00 0.00 H new ATOM 0 HA THR A 51 -23.389 22.448 42.531 1.00 0.00 H new ATOM 0 HB THR A 51 -22.317 19.628 42.059 1.00 0.00 H new ATOM 0 HG1 THR A 51 -20.681 21.052 43.545 1.00 0.00 H new ATOM 0 HG21 THR A 51 -20.248 20.785 41.333 1.00 0.00 H new ATOM 0 HG22 THR A 51 -21.622 21.207 40.282 1.00 0.00 H new ATOM 0 HG23 THR A 51 -21.063 22.357 41.521 1.00 0.00 H new ATOM 807 N GLU A 52 -24.047 22.451 40.102 1.00 0.00 N ATOM 808 CA GLU A 52 -24.555 22.461 38.696 1.00 0.00 C ATOM 809 C GLU A 52 -23.426 22.125 37.708 1.00 0.00 C ATOM 810 O GLU A 52 -22.266 22.504 37.892 1.00 0.00 O ATOM 811 CB GLU A 52 -25.119 23.848 38.372 1.00 0.00 C ATOM 812 CG GLU A 52 -26.419 24.068 39.157 1.00 0.00 C ATOM 813 CD GLU A 52 -26.182 25.076 40.284 1.00 0.00 C ATOM 814 OE1 GLU A 52 -25.438 24.752 41.197 1.00 0.00 O ATOM 815 OE2 GLU A 52 -26.750 26.151 40.216 1.00 0.00 O ATOM 0 H GLU A 52 -23.715 23.351 40.448 1.00 0.00 H new ATOM 0 HA GLU A 52 -25.337 21.708 38.600 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -24.391 24.617 38.630 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -25.309 23.934 37.302 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -27.200 24.432 38.490 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -26.769 23.122 39.571 1.00 0.00 H new ATOM 822 N GLY A 53 -23.758 21.425 36.654 1.00 0.00 N ATOM 823 CA GLY A 53 -22.746 21.050 35.617 1.00 0.00 C ATOM 824 C GLY A 53 -23.263 21.476 34.240 1.00 0.00 C ATOM 825 O GLY A 53 -24.169 20.858 33.679 1.00 0.00 O ATOM 0 H GLY A 53 -24.703 21.091 36.464 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -21.793 21.535 35.828 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -22.568 19.975 35.636 1.00 0.00 H new ATOM 829 N GLU A 54 -22.722 22.532 33.696 1.00 0.00 N ATOM 830 CA GLU A 54 -23.191 23.027 32.362 1.00 0.00 C ATOM 831 C GLU A 54 -22.604 22.168 31.218 1.00 0.00 C ATOM 832 O GLU A 54 -21.568 22.489 30.634 1.00 0.00 O ATOM 833 CB GLU A 54 -22.772 24.504 32.215 1.00 0.00 C ATOM 834 CG GLU A 54 -23.031 24.997 30.780 1.00 0.00 C ATOM 835 CD GLU A 54 -22.133 26.204 30.458 1.00 0.00 C ATOM 836 OE1 GLU A 54 -20.921 26.077 30.591 1.00 0.00 O ATOM 837 OE2 GLU A 54 -22.669 27.226 30.070 1.00 0.00 O ATOM 0 H GLU A 54 -21.971 23.079 34.118 1.00 0.00 H new ATOM 0 HA GLU A 54 -24.276 22.946 32.300 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -23.328 25.118 32.923 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -21.715 24.615 32.459 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -22.837 24.192 30.071 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -24.079 25.275 30.668 1.00 0.00 H new ATOM 844 N GLY A 55 -23.249 21.082 30.873 1.00 0.00 N ATOM 845 CA GLY A 55 -22.733 20.223 29.749 1.00 0.00 C ATOM 846 C GLY A 55 -22.946 20.955 28.417 1.00 0.00 C ATOM 847 O GLY A 55 -24.075 21.252 28.030 1.00 0.00 O ATOM 0 H GLY A 55 -24.106 20.750 31.315 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -21.674 20.009 29.895 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -23.253 19.265 29.739 1.00 0.00 H new ATOM 943 N LYS A 62 -24.198 15.319 32.129 1.00 0.00 N ATOM 944 CA LYS A 62 -24.191 14.489 33.371 1.00 0.00 C ATOM 945 C LYS A 62 -22.740 14.321 33.841 1.00 0.00 C ATOM 946 O LYS A 62 -22.450 14.353 35.033 1.00 0.00 O ATOM 947 CB LYS A 62 -24.814 13.120 33.073 1.00 0.00 C ATOM 948 CG LYS A 62 -26.312 13.293 32.804 1.00 0.00 C ATOM 949 CD LYS A 62 -26.923 11.943 32.415 1.00 0.00 C ATOM 950 CE LYS A 62 -28.103 12.165 31.468 1.00 0.00 C ATOM 951 NZ LYS A 62 -28.661 10.841 31.057 1.00 0.00 N ATOM 0 HA LYS A 62 -24.773 14.975 34.154 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -24.328 12.667 32.209 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -24.660 12.446 33.916 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -26.808 13.686 33.691 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -26.467 14.018 32.005 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -26.171 11.318 31.934 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -27.255 11.413 33.307 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -28.872 12.760 31.960 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -27.780 12.725 30.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -29.464 10.988 30.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -27.925 10.289 30.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -28.983 10.323 31.900 1.00 0.00 H new ATOM 965 N LYS A 63 -21.822 14.173 32.915 1.00 0.00 N ATOM 966 CA LYS A 63 -20.383 14.037 33.289 1.00 0.00 C ATOM 967 C LYS A 63 -19.912 15.353 33.921 1.00 0.00 C ATOM 968 O LYS A 63 -19.700 15.432 35.121 1.00 0.00 O ATOM 969 CB LYS A 63 -19.548 13.741 32.036 1.00 0.00 C ATOM 970 CG LYS A 63 -19.770 12.293 31.591 1.00 0.00 C ATOM 971 CD LYS A 63 -18.557 11.822 30.779 1.00 0.00 C ATOM 972 CE LYS A 63 -18.370 12.719 29.550 1.00 0.00 C ATOM 973 NZ LYS A 63 -19.267 12.251 28.449 1.00 0.00 N ATOM 0 H LYS A 63 -22.011 14.141 31.913 1.00 0.00 H new ATOM 0 HA LYS A 63 -20.261 13.218 33.998 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -19.826 14.424 31.233 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -18.491 13.908 32.245 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -19.912 11.651 32.460 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -20.676 12.220 30.989 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -17.661 11.849 31.399 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -18.697 10.787 30.467 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -18.598 13.754 29.804 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -17.331 12.693 29.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -19.140 12.860 27.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -19.029 11.270 28.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -20.257 12.298 28.764 1.00 0.00 H new ATOM 987 N ARG A 64 -19.767 16.391 33.131 1.00 0.00 N ATOM 988 CA ARG A 64 -19.323 17.716 33.677 1.00 0.00 C ATOM 989 C ARG A 64 -20.027 18.021 35.011 1.00 0.00 C ATOM 990 O ARG A 64 -19.427 18.567 35.939 1.00 0.00 O ATOM 991 CB ARG A 64 -19.658 18.812 32.666 1.00 0.00 C ATOM 992 CG ARG A 64 -18.948 20.100 33.079 1.00 0.00 C ATOM 993 CD ARG A 64 -19.574 21.280 32.352 1.00 0.00 C ATOM 994 NE ARG A 64 -18.494 22.178 31.851 1.00 0.00 N ATOM 995 CZ ARG A 64 -18.684 23.455 31.837 1.00 0.00 C ATOM 996 NH1 ARG A 64 -19.742 23.926 31.282 1.00 0.00 N ATOM 997 NH2 ARG A 64 -17.835 24.243 32.398 1.00 0.00 N ATOM 0 H ARG A 64 -19.938 16.378 32.126 1.00 0.00 H new ATOM 0 HA ARG A 64 -18.248 17.680 33.852 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -19.343 18.512 31.667 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -20.736 18.972 32.626 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -19.025 20.241 34.157 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -17.886 20.035 32.842 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -20.185 20.928 31.521 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -20.235 21.827 33.024 1.00 0.00 H new ATOM 0 HE ARG A 64 -17.612 21.786 31.522 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -20.421 23.293 30.859 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -19.904 24.933 31.264 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -17.008 23.859 32.856 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -17.989 25.251 32.385 1.00 0.00 H new ATOM 1011 N ALA A 65 -21.285 17.679 35.125 1.00 0.00 N ATOM 1012 CA ALA A 65 -22.022 17.937 36.394 1.00 0.00 C ATOM 1013 C ALA A 65 -21.524 16.965 37.481 1.00 0.00 C ATOM 1014 O ALA A 65 -21.237 17.365 38.612 1.00 0.00 O ATOM 1015 CB ALA A 65 -23.519 17.735 36.149 1.00 0.00 C ATOM 0 H ALA A 65 -21.833 17.231 34.391 1.00 0.00 H new ATOM 0 HA ALA A 65 -21.847 18.959 36.729 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -24.067 17.922 37.072 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -23.858 18.428 35.379 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -23.699 16.711 35.821 1.00 0.00 H new ATOM 1021 N ALA A 66 -21.401 15.701 37.154 1.00 0.00 N ATOM 1022 CA ALA A 66 -20.907 14.701 38.150 1.00 0.00 C ATOM 1023 C ALA A 66 -19.439 15.003 38.491 1.00 0.00 C ATOM 1024 O ALA A 66 -19.063 15.065 39.660 1.00 0.00 O ATOM 1025 CB ALA A 66 -21.023 13.294 37.552 1.00 0.00 C ATOM 0 H ALA A 66 -21.623 15.318 36.235 1.00 0.00 H new ATOM 0 HA ALA A 66 -21.505 14.758 39.059 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -20.664 12.561 38.274 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -22.065 13.086 37.311 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -20.422 13.234 36.645 1.00 0.00 H new ATOM 1031 N GLU A 67 -18.614 15.202 37.492 1.00 0.00 N ATOM 1032 CA GLU A 67 -17.171 15.517 37.730 1.00 0.00 C ATOM 1033 C GLU A 67 -17.059 16.677 38.726 1.00 0.00 C ATOM 1034 O GLU A 67 -16.310 16.609 39.700 1.00 0.00 O ATOM 1035 CB GLU A 67 -16.514 15.912 36.400 1.00 0.00 C ATOM 1036 CG GLU A 67 -16.022 14.652 35.662 1.00 0.00 C ATOM 1037 CD GLU A 67 -16.906 14.363 34.439 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -16.928 15.179 33.531 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -17.539 13.322 34.426 1.00 0.00 O ATOM 0 H GLU A 67 -18.883 15.159 36.509 1.00 0.00 H new ATOM 0 HA GLU A 67 -16.666 14.642 38.139 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -17.228 16.452 35.778 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.677 16.586 36.584 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.988 14.789 35.346 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.038 13.798 36.339 1.00 0.00 H new ATOM 1046 N LYS A 68 -17.805 17.732 38.511 1.00 0.00 N ATOM 1047 CA LYS A 68 -17.764 18.892 39.457 1.00 0.00 C ATOM 1048 C LYS A 68 -18.118 18.397 40.868 1.00 0.00 C ATOM 1049 O LYS A 68 -17.381 18.621 41.824 1.00 0.00 O ATOM 1050 CB LYS A 68 -18.778 19.955 39.010 1.00 0.00 C ATOM 1051 CG LYS A 68 -18.045 21.104 38.308 1.00 0.00 C ATOM 1052 CD LYS A 68 -17.487 22.077 39.355 1.00 0.00 C ATOM 1053 CE LYS A 68 -18.604 22.999 39.857 1.00 0.00 C ATOM 1054 NZ LYS A 68 -18.410 23.261 41.312 1.00 0.00 N ATOM 0 H LYS A 68 -18.441 17.841 37.721 1.00 0.00 H new ATOM 0 HA LYS A 68 -16.767 19.332 39.462 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -19.511 19.512 38.335 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -19.327 20.334 39.872 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -17.234 20.710 37.695 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -18.727 21.627 37.638 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -17.060 21.521 40.190 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.682 22.670 38.921 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -18.594 23.937 39.302 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -19.577 22.538 39.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -19.081 22.686 41.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -17.438 23.011 41.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -18.576 24.269 41.508 1.00 0.00 H new ATOM 1068 N MET A 69 -19.228 17.713 41.005 1.00 0.00 N ATOM 1069 CA MET A 69 -19.637 17.182 42.345 1.00 0.00 C ATOM 1070 C MET A 69 -18.518 16.300 42.922 1.00 0.00 C ATOM 1071 O MET A 69 -18.095 16.474 44.066 1.00 0.00 O ATOM 1072 CB MET A 69 -20.912 16.345 42.186 1.00 0.00 C ATOM 1073 CG MET A 69 -22.082 17.064 42.855 1.00 0.00 C ATOM 1074 SD MET A 69 -22.081 16.694 44.623 1.00 0.00 S ATOM 1075 CE MET A 69 -23.186 18.037 45.117 1.00 0.00 C ATOM 0 H MET A 69 -19.872 17.498 40.243 1.00 0.00 H new ATOM 0 HA MET A 69 -19.822 18.015 43.023 1.00 0.00 H new ATOM 0 HB2 MET A 69 -21.126 16.186 41.129 1.00 0.00 H new ATOM 0 HB3 MET A 69 -20.772 15.361 42.634 1.00 0.00 H new ATOM 0 HG2 MET A 69 -22.001 18.139 42.697 1.00 0.00 H new ATOM 0 HG3 MET A 69 -23.023 16.746 42.406 1.00 0.00 H new ATOM 0 HE1 MET A 69 -23.434 17.934 46.173 1.00 0.00 H new ATOM 0 HE2 MET A 69 -22.691 18.994 44.952 1.00 0.00 H new ATOM 0 HE3 MET A 69 -24.099 17.994 44.524 1.00 0.00 H new ATOM 1085 N LEU A 70 -18.029 15.362 42.149 1.00 0.00 N ATOM 1086 CA LEU A 70 -16.933 14.470 42.637 1.00 0.00 C ATOM 1087 C LEU A 70 -15.736 15.326 43.059 1.00 0.00 C ATOM 1088 O LEU A 70 -15.236 15.211 44.172 1.00 0.00 O ATOM 1089 CB LEU A 70 -16.511 13.513 41.513 1.00 0.00 C ATOM 1090 CG LEU A 70 -17.646 12.535 41.202 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -17.186 11.549 40.130 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -18.018 11.761 42.466 1.00 0.00 C ATOM 0 H LEU A 70 -18.344 15.175 41.197 1.00 0.00 H new ATOM 0 HA LEU A 70 -17.286 13.890 43.490 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -16.254 14.081 40.619 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -15.618 12.963 41.809 1.00 0.00 H new ATOM 0 HG LEU A 70 -18.513 13.091 40.846 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -17.993 10.851 39.907 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.917 12.094 39.225 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -16.319 10.997 40.492 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -18.827 11.065 42.242 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -17.150 11.206 42.822 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -18.343 12.459 43.237 1.00 0.00 H new ATOM 1104 N VAL A 71 -15.284 16.193 42.193 1.00 0.00 N ATOM 1105 CA VAL A 71 -14.129 17.079 42.532 1.00 0.00 C ATOM 1106 C VAL A 71 -14.443 17.863 43.815 1.00 0.00 C ATOM 1107 O VAL A 71 -13.596 18.011 44.693 1.00 0.00 O ATOM 1108 CB VAL A 71 -13.893 18.056 41.371 1.00 0.00 C ATOM 1109 CG1 VAL A 71 -12.879 19.122 41.780 1.00 0.00 C ATOM 1110 CG2 VAL A 71 -13.346 17.297 40.161 1.00 0.00 C ATOM 0 H VAL A 71 -15.668 16.328 41.257 1.00 0.00 H new ATOM 0 HA VAL A 71 -13.234 16.477 42.692 1.00 0.00 H new ATOM 0 HB VAL A 71 -14.841 18.530 41.117 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.719 19.810 40.950 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -13.258 19.674 42.640 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -11.935 18.644 42.043 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.180 17.994 39.339 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -12.404 16.818 40.427 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -14.064 16.537 39.853 1.00 0.00 H new ATOM 1120 N GLU A 72 -15.643 18.369 43.934 1.00 0.00 N ATOM 1121 CA GLU A 72 -16.026 19.153 45.148 1.00 0.00 C ATOM 1122 C GLU A 72 -15.875 18.303 46.428 1.00 0.00 C ATOM 1123 O GLU A 72 -15.095 18.637 47.321 1.00 0.00 O ATOM 1124 CB GLU A 72 -17.483 19.617 45.000 1.00 0.00 C ATOM 1125 CG GLU A 72 -17.538 21.152 44.970 1.00 0.00 C ATOM 1126 CD GLU A 72 -17.904 21.632 43.568 1.00 0.00 C ATOM 1127 OE1 GLU A 72 -19.088 21.773 43.295 1.00 0.00 O ATOM 1128 OE2 GLU A 72 -16.999 21.871 42.784 1.00 0.00 O ATOM 0 H GLU A 72 -16.381 18.272 43.236 1.00 0.00 H new ATOM 0 HA GLU A 72 -15.364 20.014 45.236 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.913 19.210 44.085 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -18.081 19.238 45.829 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -18.272 21.512 45.690 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -16.573 21.565 45.265 1.00 0.00 H new ATOM 1135 N LEU A 73 -16.615 17.227 46.550 1.00 0.00 N ATOM 1136 CA LEU A 73 -16.524 16.384 47.791 1.00 0.00 C ATOM 1137 C LEU A 73 -15.192 15.617 47.856 1.00 0.00 C ATOM 1138 O LEU A 73 -14.644 15.399 48.936 1.00 0.00 O ATOM 1139 CB LEU A 73 -17.701 15.401 47.829 1.00 0.00 C ATOM 1140 CG LEU A 73 -17.667 14.500 46.594 1.00 0.00 C ATOM 1141 CD1 LEU A 73 -17.277 13.084 47.005 1.00 0.00 C ATOM 1142 CD2 LEU A 73 -19.050 14.479 45.954 1.00 0.00 C ATOM 0 H LEU A 73 -17.277 16.895 45.848 1.00 0.00 H new ATOM 0 HA LEU A 73 -16.567 17.044 48.657 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -17.651 14.795 48.734 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -18.643 15.949 47.864 1.00 0.00 H new ATOM 0 HG LEU A 73 -16.936 14.883 45.881 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -17.253 12.443 46.124 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -16.291 13.099 47.470 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -18.008 12.697 47.715 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -19.033 13.838 45.072 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -19.776 14.093 46.669 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -19.331 15.491 45.662 1.00 0.00 H new ATOM 1154 N GLN A 74 -14.652 15.204 46.742 1.00 0.00 N ATOM 1155 CA GLN A 74 -13.353 14.469 46.780 1.00 0.00 C ATOM 1156 C GLN A 74 -12.220 15.443 47.127 1.00 0.00 C ATOM 1157 O GLN A 74 -11.130 15.028 47.515 1.00 0.00 O ATOM 1158 CB GLN A 74 -13.077 13.835 45.419 1.00 0.00 C ATOM 1159 CG GLN A 74 -13.968 12.605 45.242 1.00 0.00 C ATOM 1160 CD GLN A 74 -13.521 11.822 44.011 1.00 0.00 C ATOM 1161 OE1 GLN A 74 -14.309 11.574 43.111 1.00 0.00 O ATOM 1162 NE2 GLN A 74 -12.291 11.419 43.920 1.00 0.00 N ATOM 0 H GLN A 74 -15.050 15.342 45.813 1.00 0.00 H new ATOM 0 HA GLN A 74 -13.407 13.688 47.538 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -13.270 14.555 44.624 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -12.027 13.551 45.344 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -13.912 11.972 46.128 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -15.009 12.910 45.133 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -11.630 11.624 44.669 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -11.985 10.897 43.099 1.00 0.00 H new ATOM 1171 N LYS A 75 -12.455 16.726 47.005 1.00 0.00 N ATOM 1172 CA LYS A 75 -11.392 17.711 47.346 1.00 0.00 C ATOM 1173 C LYS A 75 -11.556 18.146 48.810 1.00 0.00 C ATOM 1174 O LYS A 75 -10.636 17.998 49.617 1.00 0.00 O ATOM 1175 CB LYS A 75 -11.501 18.942 46.422 1.00 0.00 C ATOM 1176 CG LYS A 75 -10.815 20.163 47.068 1.00 0.00 C ATOM 1177 CD LYS A 75 -9.322 19.874 47.304 1.00 0.00 C ATOM 1178 CE LYS A 75 -8.822 20.642 48.537 1.00 0.00 C ATOM 1179 NZ LYS A 75 -8.992 19.799 49.751 1.00 0.00 N ATOM 0 H LYS A 75 -13.335 17.129 46.685 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.414 17.251 47.209 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.038 18.724 45.460 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.550 19.167 46.228 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.926 21.035 46.423 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.300 20.403 48.014 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.169 18.804 47.446 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.745 20.165 46.426 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.773 20.909 48.411 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.377 21.574 48.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.535 20.325 50.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.502 18.928 49.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.058 19.555 50.137 1.00 0.00 H new ATOM 1193 N LEU A 76 -12.709 18.676 49.151 1.00 0.00 N ATOM 1194 CA LEU A 76 -12.983 19.146 50.531 1.00 0.00 C ATOM 1195 C LEU A 76 -11.829 20.032 51.060 1.00 0.00 C ATOM 1196 O LEU A 76 -11.504 19.953 52.234 1.00 0.00 O ATOM 1197 CB LEU A 76 -13.206 17.928 51.410 1.00 0.00 C ATOM 1198 CG LEU A 76 -14.704 17.786 51.664 1.00 0.00 C ATOM 1199 CD1 LEU A 76 -14.984 16.527 52.485 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -15.194 19.016 52.429 1.00 0.00 C ATOM 1201 OXT LEU A 76 -11.274 20.781 50.267 1.00 0.00 O ATOM 0 H LEU A 76 -13.488 18.802 48.504 1.00 0.00 H new ATOM 0 HA LEU A 76 -13.877 19.770 50.542 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -12.817 17.033 50.924 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -12.670 18.037 52.353 1.00 0.00 H new ATOM 0 HG LEU A 76 -15.227 17.705 50.711 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -16.056 16.437 52.659 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -14.630 15.651 51.941 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -14.465 16.593 53.441 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -16.264 18.926 52.616 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -14.664 19.089 53.379 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -15.004 19.912 51.838 1.00 0.00 H new