USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 453 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 SER OG : rot 180:sc= 0.0174 USER MOD Single : A 12 GLN : amide:sc= -0.281 K(o=-0.28,f=-2.6!) USER MOD Single : A 14 HIS : no HD1:sc= -2.03 K(o=-2,f=-2.8!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.11 X(o=-0.11,f=-0.00093) USER MOD Single : A 22 MET CE :methyl -140:sc= -1.82! (180deg=-2.97!) USER MOD Single : A 23 THR OG1 : rot -160:sc= -0.189 USER MOD Single : A 25 HIS : no HD1:sc= -1.36 K(o=-1.4,f=-3) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 130:sc= -1.15 USER MOD Single : A 44 CYS SG : rot -107:sc= -2.57! USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.142 USER MOD Single : A 62 LYS NZ :NH3+ -177:sc= -0.367 (180deg=-0.373) USER MOD Single : A 63 LYS NZ :NH3+ 163:sc= 0.00453 (180deg=-1.81!) USER MOD Single : A 68 LYS NZ :NH3+ 147:sc= 0.998 (180deg=0.598) USER MOD Single : A 69 MET CE :methyl -124:sc= -8.47! (180deg=-14.1!) USER MOD Single : A 74 GLN : amide:sc= -0.0118 X(o=-0.012,f=-0.0019) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 121 N PRO A 9 -18.787 8.524 33.655 1.00 0.00 N ATOM 122 CA PRO A 9 -18.750 7.833 34.966 1.00 0.00 C ATOM 123 C PRO A 9 -20.022 8.100 35.801 1.00 0.00 C ATOM 124 O PRO A 9 -20.015 7.939 37.020 1.00 0.00 O ATOM 125 CB PRO A 9 -17.518 8.438 35.646 1.00 0.00 C ATOM 126 CG PRO A 9 -17.267 9.806 34.967 1.00 0.00 C ATOM 127 CD PRO A 9 -17.977 9.762 33.602 1.00 0.00 C ATOM 0 HA PRO A 9 -18.704 6.749 34.861 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -17.687 8.561 36.716 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -16.653 7.785 35.533 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -17.657 10.619 35.580 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -16.199 9.985 34.842 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -18.603 10.641 33.450 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -17.261 9.735 32.781 1.00 0.00 H new ATOM 135 N ILE A 10 -21.109 8.494 35.178 1.00 0.00 N ATOM 136 CA ILE A 10 -22.376 8.763 35.942 1.00 0.00 C ATOM 137 C ILE A 10 -22.675 7.595 36.895 1.00 0.00 C ATOM 138 O ILE A 10 -22.931 7.796 38.080 1.00 0.00 O ATOM 139 CB ILE A 10 -23.540 8.934 34.955 1.00 0.00 C ATOM 140 CG1 ILE A 10 -23.312 10.181 34.099 1.00 0.00 C ATOM 141 CG2 ILE A 10 -24.853 9.098 35.724 1.00 0.00 C ATOM 142 CD1 ILE A 10 -24.091 10.046 32.790 1.00 0.00 C ATOM 0 H ILE A 10 -21.176 8.642 34.171 1.00 0.00 H new ATOM 0 HA ILE A 10 -22.255 9.675 36.527 1.00 0.00 H new ATOM 0 HB ILE A 10 -23.593 8.051 34.318 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -23.637 11.071 34.639 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -22.249 10.304 33.892 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -25.675 9.219 35.019 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -25.028 8.214 36.337 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -24.792 9.978 36.364 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -23.930 10.933 32.178 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -23.745 9.165 32.250 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -25.154 9.943 33.008 1.00 0.00 H new ATOM 154 N SER A 11 -22.632 6.380 36.402 1.00 0.00 N ATOM 155 CA SER A 11 -22.898 5.196 37.281 1.00 0.00 C ATOM 156 C SER A 11 -21.971 5.247 38.500 1.00 0.00 C ATOM 157 O SER A 11 -22.428 5.322 39.637 1.00 0.00 O ATOM 158 CB SER A 11 -22.645 3.901 36.500 1.00 0.00 C ATOM 159 OG SER A 11 -21.392 3.990 35.817 1.00 0.00 O ATOM 0 H SER A 11 -22.424 6.157 35.429 1.00 0.00 H new ATOM 0 HA SER A 11 -23.937 5.219 37.610 1.00 0.00 H new ATOM 0 HB2 SER A 11 -22.640 3.049 37.180 1.00 0.00 H new ATOM 0 HB3 SER A 11 -23.450 3.733 35.784 1.00 0.00 H new ATOM 0 HG SER A 11 -21.231 3.161 35.320 1.00 0.00 H new ATOM 165 N GLN A 12 -20.680 5.225 38.279 1.00 0.00 N ATOM 166 CA GLN A 12 -19.711 5.279 39.417 1.00 0.00 C ATOM 167 C GLN A 12 -20.012 6.492 40.312 1.00 0.00 C ATOM 168 O GLN A 12 -19.978 6.396 41.537 1.00 0.00 O ATOM 169 CB GLN A 12 -18.287 5.373 38.863 1.00 0.00 C ATOM 170 CG GLN A 12 -17.685 3.962 38.782 1.00 0.00 C ATOM 171 CD GLN A 12 -17.508 3.536 37.321 1.00 0.00 C ATOM 172 OE1 GLN A 12 -18.045 4.156 36.404 1.00 0.00 O ATOM 173 NE2 GLN A 12 -16.779 2.498 37.051 1.00 0.00 N ATOM 0 H GLN A 12 -20.253 5.172 37.354 1.00 0.00 H new ATOM 0 HA GLN A 12 -19.807 4.374 40.017 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -18.297 5.835 37.876 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -17.675 6.007 39.505 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -16.722 3.942 39.292 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -18.334 3.254 39.297 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -16.331 1.979 37.806 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -16.654 2.200 36.083 1.00 0.00 H new ATOM 182 N VAL A 13 -20.326 7.626 39.733 1.00 0.00 N ATOM 183 CA VAL A 13 -20.655 8.824 40.573 1.00 0.00 C ATOM 184 C VAL A 13 -21.866 8.481 41.452 1.00 0.00 C ATOM 185 O VAL A 13 -21.876 8.740 42.657 1.00 0.00 O ATOM 186 CB VAL A 13 -20.989 10.024 39.674 1.00 0.00 C ATOM 187 CG1 VAL A 13 -21.219 11.262 40.541 1.00 0.00 C ATOM 188 CG2 VAL A 13 -19.826 10.301 38.719 1.00 0.00 C ATOM 0 H VAL A 13 -20.369 7.775 38.725 1.00 0.00 H new ATOM 0 HA VAL A 13 -19.800 9.086 41.196 1.00 0.00 H new ATOM 0 HB VAL A 13 -21.887 9.796 39.100 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -21.456 12.114 39.903 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -22.048 11.079 41.225 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -20.317 11.478 41.114 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -20.071 11.153 38.085 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -18.927 10.523 39.295 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -19.650 9.424 38.096 1.00 0.00 H new ATOM 198 N HIS A 14 -22.871 7.872 40.873 1.00 0.00 N ATOM 199 CA HIS A 14 -24.070 7.472 41.663 1.00 0.00 C ATOM 200 C HIS A 14 -23.644 6.429 42.709 1.00 0.00 C ATOM 201 O HIS A 14 -24.030 6.501 43.875 1.00 0.00 O ATOM 202 CB HIS A 14 -25.113 6.864 40.718 1.00 0.00 C ATOM 203 CG HIS A 14 -25.845 7.959 39.988 1.00 0.00 C ATOM 204 ND1 HIS A 14 -27.227 8.024 39.952 1.00 0.00 N ATOM 205 CD2 HIS A 14 -25.401 9.033 39.256 1.00 0.00 C ATOM 206 CE1 HIS A 14 -27.564 9.104 39.220 1.00 0.00 C ATOM 207 NE2 HIS A 14 -26.488 9.754 38.774 1.00 0.00 N ATOM 0 H HIS A 14 -22.910 7.635 39.882 1.00 0.00 H new ATOM 0 HA HIS A 14 -24.501 8.339 42.164 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -24.626 6.201 40.003 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -25.820 6.257 41.284 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -24.364 9.280 39.081 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -28.581 9.406 39.019 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -26.467 10.598 38.202 1.00 0.00 H new ATOM 215 N GLU A 15 -22.838 5.474 42.308 1.00 0.00 N ATOM 216 CA GLU A 15 -22.353 4.426 43.260 1.00 0.00 C ATOM 217 C GLU A 15 -21.613 5.096 44.426 1.00 0.00 C ATOM 218 O GLU A 15 -21.864 4.800 45.595 1.00 0.00 O ATOM 219 CB GLU A 15 -21.392 3.480 42.526 1.00 0.00 C ATOM 220 CG GLU A 15 -22.132 2.747 41.393 1.00 0.00 C ATOM 221 CD GLU A 15 -21.142 2.312 40.302 1.00 0.00 C ATOM 222 OE1 GLU A 15 -20.041 1.909 40.641 1.00 0.00 O ATOM 223 OE2 GLU A 15 -21.507 2.389 39.141 1.00 0.00 O ATOM 0 H GLU A 15 -22.493 5.376 41.353 1.00 0.00 H new ATOM 0 HA GLU A 15 -23.203 3.862 43.644 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -20.555 4.045 42.117 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -20.976 2.756 43.227 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -22.649 1.875 41.792 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -22.892 3.400 40.964 1.00 0.00 H new ATOM 230 N ILE A 16 -20.709 6.001 44.130 1.00 0.00 N ATOM 231 CA ILE A 16 -19.949 6.705 45.213 1.00 0.00 C ATOM 232 C ILE A 16 -20.930 7.445 46.134 1.00 0.00 C ATOM 233 O ILE A 16 -20.839 7.358 47.360 1.00 0.00 O ATOM 234 CB ILE A 16 -18.969 7.704 44.580 1.00 0.00 C ATOM 235 CG1 ILE A 16 -17.858 6.939 43.855 1.00 0.00 C ATOM 236 CG2 ILE A 16 -18.341 8.582 45.665 1.00 0.00 C ATOM 237 CD1 ILE A 16 -17.062 7.905 42.976 1.00 0.00 C ATOM 0 H ILE A 16 -20.464 6.283 43.181 1.00 0.00 H new ATOM 0 HA ILE A 16 -19.391 5.977 45.801 1.00 0.00 H new ATOM 0 HB ILE A 16 -19.512 8.332 43.874 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -17.198 6.462 44.580 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -18.288 6.145 43.244 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -17.648 9.287 45.206 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -19.124 9.131 46.187 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -17.803 7.954 46.375 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -16.271 7.360 42.460 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -17.727 8.361 42.242 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -16.620 8.683 43.598 1.00 0.00 H new ATOM 249 N GLY A 17 -21.871 8.164 45.570 1.00 0.00 N ATOM 250 CA GLY A 17 -22.867 8.899 46.411 1.00 0.00 C ATOM 251 C GLY A 17 -23.685 7.893 47.229 1.00 0.00 C ATOM 252 O GLY A 17 -23.845 8.038 48.438 1.00 0.00 O ATOM 0 H GLY A 17 -21.992 8.273 44.563 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -22.355 9.594 47.076 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -23.527 9.492 45.778 1.00 0.00 H new ATOM 256 N ILE A 18 -24.192 6.869 46.592 1.00 0.00 N ATOM 257 CA ILE A 18 -24.994 5.835 47.324 1.00 0.00 C ATOM 258 C ILE A 18 -24.110 5.144 48.374 1.00 0.00 C ATOM 259 O ILE A 18 -24.484 5.023 49.542 1.00 0.00 O ATOM 260 CB ILE A 18 -25.513 4.796 46.319 1.00 0.00 C ATOM 261 CG1 ILE A 18 -26.486 5.468 45.349 1.00 0.00 C ATOM 262 CG2 ILE A 18 -26.242 3.667 47.052 1.00 0.00 C ATOM 263 CD1 ILE A 18 -26.532 4.670 44.046 1.00 0.00 C ATOM 0 H ILE A 18 -24.086 6.701 45.591 1.00 0.00 H new ATOM 0 HA ILE A 18 -25.837 6.311 47.825 1.00 0.00 H new ATOM 0 HB ILE A 18 -24.665 4.382 45.773 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -27.481 5.521 45.792 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -26.171 6.492 45.151 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -26.605 2.938 46.328 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -25.556 3.180 47.745 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -27.086 4.078 47.606 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -27.225 5.146 43.352 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -25.537 4.640 43.602 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -26.867 3.654 44.253 1.00 0.00 H new ATOM 275 N LYS A 19 -22.943 4.699 47.983 1.00 0.00 N ATOM 276 CA LYS A 19 -22.019 4.019 48.947 1.00 0.00 C ATOM 277 C LYS A 19 -21.773 4.918 50.171 1.00 0.00 C ATOM 278 O LYS A 19 -21.722 4.445 51.305 1.00 0.00 O ATOM 279 CB LYS A 19 -20.689 3.732 48.242 1.00 0.00 C ATOM 280 CG LYS A 19 -20.136 2.383 48.707 1.00 0.00 C ATOM 281 CD LYS A 19 -18.718 2.205 48.154 1.00 0.00 C ATOM 282 CE LYS A 19 -18.349 0.721 48.131 1.00 0.00 C ATOM 283 NZ LYS A 19 -18.653 0.164 46.781 1.00 0.00 N ATOM 0 H LYS A 19 -22.586 4.777 47.031 1.00 0.00 H new ATOM 0 HA LYS A 19 -22.470 3.086 49.285 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -20.834 3.723 47.162 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -19.973 4.524 48.461 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -20.123 2.337 49.796 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -20.779 1.574 48.361 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -18.656 2.619 47.148 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -18.007 2.756 48.770 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -17.291 0.593 48.361 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.909 0.182 48.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -18.404 -0.846 46.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.667 0.276 46.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -18.100 0.673 46.063 1.00 0.00 H new ATOM 297 N ARG A 20 -21.626 6.201 49.967 1.00 0.00 N ATOM 298 CA ARG A 20 -21.391 7.126 51.122 1.00 0.00 C ATOM 299 C ARG A 20 -22.733 7.665 51.659 1.00 0.00 C ATOM 300 O ARG A 20 -22.770 8.679 52.354 1.00 0.00 O ATOM 301 CB ARG A 20 -20.520 8.301 50.654 1.00 0.00 C ATOM 302 CG ARG A 20 -19.050 8.037 51.002 1.00 0.00 C ATOM 303 CD ARG A 20 -18.327 9.370 51.235 1.00 0.00 C ATOM 304 NE ARG A 20 -18.150 10.074 49.927 1.00 0.00 N ATOM 305 CZ ARG A 20 -17.275 11.023 49.802 1.00 0.00 C ATOM 306 NH1 ARG A 20 -17.434 12.143 50.418 1.00 0.00 N ATOM 307 NH2 ARG A 20 -16.244 10.843 49.057 1.00 0.00 N ATOM 0 H ARG A 20 -21.658 6.651 49.052 1.00 0.00 H new ATOM 0 HA ARG A 20 -20.887 6.581 51.920 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -20.628 8.438 49.578 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -20.854 9.224 51.128 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -18.984 7.415 51.895 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -18.568 7.487 50.194 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -18.901 9.993 51.921 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -17.357 9.194 51.700 1.00 0.00 H new ATOM 0 HE ARG A 20 -18.722 9.805 49.127 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -18.252 12.288 51.009 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -16.741 12.885 50.315 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -16.117 9.957 48.567 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -15.553 11.586 48.955 1.00 0.00 H new ATOM 321 N ASN A 21 -23.833 7.012 51.349 1.00 0.00 N ATOM 322 CA ASN A 21 -25.171 7.488 51.835 1.00 0.00 C ATOM 323 C ASN A 21 -25.367 8.975 51.481 1.00 0.00 C ATOM 324 O ASN A 21 -25.926 9.753 52.254 1.00 0.00 O ATOM 325 CB ASN A 21 -25.259 7.290 53.354 1.00 0.00 C ATOM 326 CG ASN A 21 -26.479 6.433 53.691 1.00 0.00 C ATOM 327 OD1 ASN A 21 -27.319 6.826 54.488 1.00 0.00 O ATOM 328 ND2 ASN A 21 -26.629 5.274 53.124 1.00 0.00 N ATOM 0 H ASN A 21 -23.860 6.167 50.778 1.00 0.00 H new ATOM 0 HA ASN A 21 -25.958 6.911 51.349 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -24.352 6.809 53.721 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -25.332 8.256 53.853 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -27.443 4.700 53.345 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -25.933 4.938 52.458 1.00 0.00 H new ATOM 335 N MET A 22 -24.923 9.380 50.323 1.00 0.00 N ATOM 336 CA MET A 22 -25.076 10.805 49.911 1.00 0.00 C ATOM 337 C MET A 22 -26.248 10.942 48.928 1.00 0.00 C ATOM 338 O MET A 22 -26.437 10.114 48.037 1.00 0.00 O ATOM 339 CB MET A 22 -23.777 11.270 49.248 1.00 0.00 C ATOM 340 CG MET A 22 -22.735 11.555 50.331 1.00 0.00 C ATOM 341 SD MET A 22 -21.344 12.459 49.612 1.00 0.00 S ATOM 342 CE MET A 22 -21.729 14.072 50.338 1.00 0.00 C ATOM 0 H MET A 22 -24.458 8.782 49.640 1.00 0.00 H new ATOM 0 HA MET A 22 -25.282 11.422 50.785 1.00 0.00 H new ATOM 0 HB2 MET A 22 -23.409 10.505 48.565 1.00 0.00 H new ATOM 0 HB3 MET A 22 -23.958 12.167 48.655 1.00 0.00 H new ATOM 0 HG2 MET A 22 -23.183 12.137 51.136 1.00 0.00 H new ATOM 0 HG3 MET A 22 -22.386 10.620 50.769 1.00 0.00 H new ATOM 0 HE1 MET A 22 -21.545 14.855 49.603 1.00 0.00 H new ATOM 0 HE2 MET A 22 -22.777 14.095 50.638 1.00 0.00 H new ATOM 0 HE3 MET A 22 -21.098 14.238 51.211 1.00 0.00 H new ATOM 352 N THR A 23 -27.039 11.972 49.075 1.00 0.00 N ATOM 353 CA THR A 23 -28.206 12.176 48.155 1.00 0.00 C ATOM 354 C THR A 23 -27.720 12.233 46.705 1.00 0.00 C ATOM 355 O THR A 23 -27.071 13.185 46.297 1.00 0.00 O ATOM 356 CB THR A 23 -28.908 13.499 48.494 1.00 0.00 C ATOM 357 OG1 THR A 23 -28.502 13.937 49.784 1.00 0.00 O ATOM 358 CG2 THR A 23 -30.421 13.295 48.486 1.00 0.00 C ATOM 0 H THR A 23 -26.930 12.686 49.795 1.00 0.00 H new ATOM 0 HA THR A 23 -28.901 11.346 48.278 1.00 0.00 H new ATOM 0 HB THR A 23 -28.637 14.249 47.750 1.00 0.00 H new ATOM 0 HG1 THR A 23 -29.156 14.578 50.133 1.00 0.00 H new ATOM 0 HG21 THR A 23 -30.916 14.236 48.727 1.00 0.00 H new ATOM 0 HG22 THR A 23 -30.738 12.961 47.498 1.00 0.00 H new ATOM 0 HG23 THR A 23 -30.691 12.543 49.227 1.00 0.00 H new ATOM 366 N VAL A 24 -28.020 11.240 45.915 1.00 0.00 N ATOM 367 CA VAL A 24 -27.569 11.265 44.488 1.00 0.00 C ATOM 368 C VAL A 24 -28.549 12.121 43.666 1.00 0.00 C ATOM 369 O VAL A 24 -29.311 11.617 42.841 1.00 0.00 O ATOM 370 CB VAL A 24 -27.517 9.833 43.936 1.00 0.00 C ATOM 371 CG1 VAL A 24 -26.949 9.849 42.517 1.00 0.00 C ATOM 372 CG2 VAL A 24 -26.611 8.974 44.821 1.00 0.00 C ATOM 0 H VAL A 24 -28.554 10.416 46.190 1.00 0.00 H new ATOM 0 HA VAL A 24 -26.571 11.699 44.422 1.00 0.00 H new ATOM 0 HB VAL A 24 -28.525 9.419 43.926 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -26.913 8.831 42.128 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -27.586 10.460 41.877 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -25.942 10.267 42.533 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -26.575 7.958 44.428 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -25.606 9.395 44.830 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -27.006 8.956 45.837 1.00 0.00 H new ATOM 382 N HIS A 25 -28.554 13.410 43.886 1.00 0.00 N ATOM 383 CA HIS A 25 -29.492 14.296 43.131 1.00 0.00 C ATOM 384 C HIS A 25 -28.876 14.700 41.782 1.00 0.00 C ATOM 385 O HIS A 25 -28.274 15.761 41.647 1.00 0.00 O ATOM 386 CB HIS A 25 -29.791 15.553 43.960 1.00 0.00 C ATOM 387 CG HIS A 25 -30.850 15.256 44.987 1.00 0.00 C ATOM 388 ND1 HIS A 25 -31.913 14.402 44.736 1.00 0.00 N ATOM 389 CD2 HIS A 25 -31.026 15.701 46.273 1.00 0.00 C ATOM 390 CE1 HIS A 25 -32.675 14.363 45.846 1.00 0.00 C ATOM 391 NE2 HIS A 25 -32.178 15.137 46.813 1.00 0.00 N ATOM 0 H HIS A 25 -27.950 13.888 44.555 1.00 0.00 H new ATOM 0 HA HIS A 25 -30.418 13.753 42.945 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -28.882 15.898 44.453 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -30.124 16.359 43.306 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -30.369 16.386 46.789 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -33.577 13.777 45.942 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -32.560 15.284 47.747 1.00 0.00 H new ATOM 399 N PHE A 26 -29.029 13.875 40.780 1.00 0.00 N ATOM 400 CA PHE A 26 -28.474 14.204 39.428 1.00 0.00 C ATOM 401 C PHE A 26 -29.641 14.505 38.475 1.00 0.00 C ATOM 402 O PHE A 26 -30.466 13.638 38.190 1.00 0.00 O ATOM 403 CB PHE A 26 -27.665 13.008 38.907 1.00 0.00 C ATOM 404 CG PHE A 26 -26.217 13.155 39.314 1.00 0.00 C ATOM 405 CD1 PHE A 26 -25.868 13.183 40.670 1.00 0.00 C ATOM 406 CD2 PHE A 26 -25.224 13.265 38.336 1.00 0.00 C ATOM 407 CE1 PHE A 26 -24.527 13.317 41.046 1.00 0.00 C ATOM 408 CE2 PHE A 26 -23.882 13.400 38.711 1.00 0.00 C ATOM 409 CZ PHE A 26 -23.534 13.428 40.066 1.00 0.00 C ATOM 0 H PHE A 26 -29.517 12.981 40.838 1.00 0.00 H new ATOM 0 HA PHE A 26 -27.820 15.074 39.490 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -28.072 12.079 39.307 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -27.743 12.949 37.821 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -26.635 13.101 41.426 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -25.493 13.246 37.290 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -24.258 13.335 42.092 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -23.115 13.483 37.955 1.00 0.00 H new ATOM 0 HZ PHE A 26 -22.499 13.535 40.356 1.00 0.00 H new ATOM 419 N LYS A 27 -29.746 15.717 37.991 1.00 0.00 N ATOM 420 CA LYS A 27 -30.884 16.056 37.078 1.00 0.00 C ATOM 421 C LYS A 27 -30.513 17.232 36.157 1.00 0.00 C ATOM 422 O LYS A 27 -29.856 18.188 36.569 1.00 0.00 O ATOM 423 CB LYS A 27 -32.100 16.437 37.935 1.00 0.00 C ATOM 424 CG LYS A 27 -33.386 16.292 37.115 1.00 0.00 C ATOM 425 CD LYS A 27 -34.362 17.414 37.488 1.00 0.00 C ATOM 426 CE LYS A 27 -34.287 18.523 36.439 1.00 0.00 C ATOM 427 NZ LYS A 27 -35.364 19.525 36.694 1.00 0.00 N ATOM 0 H LYS A 27 -29.100 16.482 38.185 1.00 0.00 H new ATOM 0 HA LYS A 27 -31.113 15.193 36.453 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -32.148 15.799 38.817 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -31.999 17.463 38.289 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -33.157 16.334 36.050 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -33.843 15.321 37.305 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -35.378 17.023 37.547 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -34.116 17.812 38.472 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -33.311 19.006 36.475 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -34.398 18.101 35.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -35.312 20.279 35.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -36.292 19.059 36.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -35.239 19.936 37.641 1.00 0.00 H new ATOM 441 N VAL A 28 -30.936 17.190 34.919 1.00 0.00 N ATOM 442 CA VAL A 28 -30.620 18.314 33.980 1.00 0.00 C ATOM 443 C VAL A 28 -31.684 19.410 34.123 1.00 0.00 C ATOM 444 O VAL A 28 -32.868 19.131 34.314 1.00 0.00 O ATOM 445 CB VAL A 28 -30.594 17.807 32.533 1.00 0.00 C ATOM 446 CG1 VAL A 28 -30.044 18.901 31.620 1.00 0.00 C ATOM 447 CG2 VAL A 28 -29.684 16.585 32.423 1.00 0.00 C ATOM 0 H VAL A 28 -31.485 16.430 34.517 1.00 0.00 H new ATOM 0 HA VAL A 28 -29.639 18.719 34.227 1.00 0.00 H new ATOM 0 HB VAL A 28 -31.609 17.540 32.237 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -30.025 18.541 30.591 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -30.681 19.783 31.684 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -29.032 19.161 31.932 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -29.672 16.232 31.392 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -28.673 16.856 32.726 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -30.057 15.794 33.073 1.00 0.00 H new ATOM 457 N LEU A 29 -31.285 20.648 34.047 1.00 0.00 N ATOM 458 CA LEU A 29 -32.265 21.769 34.192 1.00 0.00 C ATOM 459 C LEU A 29 -32.740 22.231 32.809 1.00 0.00 C ATOM 460 O LEU A 29 -33.922 22.506 32.605 1.00 0.00 O ATOM 461 CB LEU A 29 -31.607 22.948 34.938 1.00 0.00 C ATOM 462 CG LEU A 29 -30.580 22.432 35.954 1.00 0.00 C ATOM 463 CD1 LEU A 29 -29.962 23.610 36.706 1.00 0.00 C ATOM 464 CD2 LEU A 29 -31.265 21.507 36.960 1.00 0.00 C ATOM 0 H LEU A 29 -30.319 20.937 33.890 1.00 0.00 H new ATOM 0 HA LEU A 29 -33.123 21.417 34.765 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -31.120 23.612 34.224 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -32.370 23.535 35.449 1.00 0.00 H new ATOM 0 HG LEU A 29 -29.802 21.884 35.422 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -29.233 23.239 37.427 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -29.467 24.274 35.998 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -30.745 24.158 37.231 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -30.531 21.144 37.679 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -32.046 22.056 37.485 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -31.707 20.661 36.434 1.00 0.00 H new ATOM 476 N ARG A 30 -31.846 22.323 31.860 1.00 0.00 N ATOM 477 CA ARG A 30 -32.250 22.772 30.490 1.00 0.00 C ATOM 478 C ARG A 30 -31.343 22.148 29.419 1.00 0.00 C ATOM 479 O ARG A 30 -30.130 22.359 29.411 1.00 0.00 O ATOM 480 CB ARG A 30 -32.141 24.296 30.403 1.00 0.00 C ATOM 481 CG ARG A 30 -33.468 24.935 30.820 1.00 0.00 C ATOM 482 CD ARG A 30 -33.633 26.275 30.102 1.00 0.00 C ATOM 483 NE ARG A 30 -34.741 27.044 30.750 1.00 0.00 N ATOM 484 CZ ARG A 30 -34.583 28.290 31.054 1.00 0.00 C ATOM 485 NH1 ARG A 30 -33.909 28.613 32.104 1.00 0.00 N ATOM 486 NH2 ARG A 30 -35.104 29.205 30.311 1.00 0.00 N ATOM 0 H ARG A 30 -30.855 22.108 31.971 1.00 0.00 H new ATOM 0 HA ARG A 30 -33.277 22.453 30.313 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -31.338 24.650 31.049 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -31.887 24.594 29.386 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -34.297 24.272 30.572 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -33.490 25.083 31.900 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -32.704 26.843 30.148 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -33.855 26.112 29.047 1.00 0.00 H new ATOM 0 HE ARG A 30 -35.627 26.582 30.953 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -33.502 27.886 32.692 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -33.783 29.596 32.347 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -35.641 28.946 29.483 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -34.980 30.189 30.551 1.00 0.00 H new ATOM 631 N PHE A 40 -26.302 22.755 27.514 1.00 0.00 N ATOM 632 CA PHE A 40 -27.138 21.854 28.362 1.00 0.00 C ATOM 633 C PHE A 40 -26.826 22.115 29.843 1.00 0.00 C ATOM 634 O PHE A 40 -25.671 22.058 30.269 1.00 0.00 O ATOM 635 CB PHE A 40 -26.814 20.398 28.006 1.00 0.00 C ATOM 636 CG PHE A 40 -27.365 20.064 26.636 1.00 0.00 C ATOM 637 CD1 PHE A 40 -26.947 20.782 25.509 1.00 0.00 C ATOM 638 CD2 PHE A 40 -28.294 19.034 26.494 1.00 0.00 C ATOM 639 CE1 PHE A 40 -27.459 20.465 24.245 1.00 0.00 C ATOM 640 CE2 PHE A 40 -28.808 18.715 25.233 1.00 0.00 C ATOM 641 CZ PHE A 40 -28.391 19.430 24.109 1.00 0.00 C ATOM 0 HA PHE A 40 -28.196 22.045 28.184 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -25.735 20.243 28.021 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -27.242 19.729 28.752 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -26.229 21.581 25.615 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -28.618 18.480 27.362 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -27.135 21.019 23.376 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -29.527 17.916 25.129 1.00 0.00 H new ATOM 0 HZ PHE A 40 -28.787 19.185 23.135 1.00 0.00 H new ATOM 651 N ILE A 41 -27.819 22.405 30.640 1.00 0.00 N ATOM 652 CA ILE A 41 -27.554 22.678 32.091 1.00 0.00 C ATOM 653 C ILE A 41 -27.816 21.422 32.935 1.00 0.00 C ATOM 654 O ILE A 41 -28.925 21.193 33.414 1.00 0.00 O ATOM 655 CB ILE A 41 -28.453 23.822 32.578 1.00 0.00 C ATOM 656 CG1 ILE A 41 -28.273 25.034 31.662 1.00 0.00 C ATOM 657 CG2 ILE A 41 -28.057 24.206 34.007 1.00 0.00 C ATOM 658 CD1 ILE A 41 -29.223 26.151 32.095 1.00 0.00 C ATOM 0 H ILE A 41 -28.797 22.466 30.356 1.00 0.00 H new ATOM 0 HA ILE A 41 -26.508 22.963 32.203 1.00 0.00 H new ATOM 0 HB ILE A 41 -29.494 23.500 32.560 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -27.242 25.384 31.704 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -28.473 24.754 30.628 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -28.694 25.019 34.355 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -28.178 23.343 34.662 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -27.016 24.529 34.022 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -29.093 27.013 31.441 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -30.252 25.799 32.030 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -29.002 26.439 33.123 1.00 0.00 H new ATOM 670 N THR A 42 -26.808 20.619 33.148 1.00 0.00 N ATOM 671 CA THR A 42 -26.986 19.388 33.986 1.00 0.00 C ATOM 672 C THR A 42 -26.571 19.705 35.425 1.00 0.00 C ATOM 673 O THR A 42 -25.487 20.237 35.665 1.00 0.00 O ATOM 674 CB THR A 42 -26.107 18.254 33.446 1.00 0.00 C ATOM 675 OG1 THR A 42 -26.554 17.875 32.152 1.00 0.00 O ATOM 676 CG2 THR A 42 -26.197 17.044 34.375 1.00 0.00 C ATOM 0 H THR A 42 -25.867 20.759 32.780 1.00 0.00 H new ATOM 0 HA THR A 42 -28.030 19.076 33.955 1.00 0.00 H new ATOM 0 HB THR A 42 -25.075 18.601 33.392 1.00 0.00 H new ATOM 0 HG1 THR A 42 -25.792 17.856 31.535 1.00 0.00 H new ATOM 0 HG21 THR A 42 -25.571 16.240 33.987 1.00 0.00 H new ATOM 0 HG22 THR A 42 -25.853 17.324 35.371 1.00 0.00 H new ATOM 0 HG23 THR A 42 -27.231 16.704 34.430 1.00 0.00 H new ATOM 684 N ALA A 43 -27.400 19.408 36.389 1.00 0.00 N ATOM 685 CA ALA A 43 -27.027 19.720 37.800 1.00 0.00 C ATOM 686 C ALA A 43 -26.829 18.452 38.632 1.00 0.00 C ATOM 687 O ALA A 43 -27.203 17.345 38.240 1.00 0.00 O ATOM 688 CB ALA A 43 -28.128 20.546 38.453 1.00 0.00 C ATOM 0 H ALA A 43 -28.311 18.967 36.264 1.00 0.00 H new ATOM 0 HA ALA A 43 -26.088 20.272 37.770 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -27.851 20.771 39.483 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -28.261 21.476 37.901 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -29.061 19.982 38.443 1.00 0.00 H new ATOM 694 N CYS A 44 -26.271 18.626 39.799 1.00 0.00 N ATOM 695 CA CYS A 44 -26.043 17.487 40.729 1.00 0.00 C ATOM 696 C CYS A 44 -26.041 18.030 42.163 1.00 0.00 C ATOM 697 O CYS A 44 -25.839 19.232 42.387 1.00 0.00 O ATOM 698 CB CYS A 44 -24.689 16.824 40.434 1.00 0.00 C ATOM 699 SG CYS A 44 -24.495 16.564 38.654 1.00 0.00 S ATOM 0 H CYS A 44 -25.958 19.530 40.153 1.00 0.00 H new ATOM 0 HA CYS A 44 -26.831 16.744 40.601 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -23.880 17.451 40.808 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -24.621 15.870 40.958 1.00 0.00 H new ATOM 0 HG CYS A 44 -24.613 15.298 38.385 1.00 0.00 H new ATOM 705 N ILE A 45 -26.258 17.185 43.134 1.00 0.00 N ATOM 706 CA ILE A 45 -26.258 17.666 44.549 1.00 0.00 C ATOM 707 C ILE A 45 -26.289 16.486 45.526 1.00 0.00 C ATOM 708 O ILE A 45 -26.939 15.472 45.285 1.00 0.00 O ATOM 709 CB ILE A 45 -27.465 18.594 44.773 1.00 0.00 C ATOM 710 CG1 ILE A 45 -26.938 19.994 45.061 1.00 0.00 C ATOM 711 CG2 ILE A 45 -28.316 18.124 45.960 1.00 0.00 C ATOM 712 CD1 ILE A 45 -28.109 20.951 45.291 1.00 0.00 C ATOM 0 H ILE A 45 -26.435 16.188 43.012 1.00 0.00 H new ATOM 0 HA ILE A 45 -25.340 18.224 44.736 1.00 0.00 H new ATOM 0 HB ILE A 45 -28.093 18.583 43.882 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -26.293 19.976 45.939 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -26.330 20.343 44.226 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -29.161 18.800 46.092 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -28.684 17.116 45.767 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -27.708 18.121 46.865 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -27.727 21.951 45.497 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -28.737 20.979 44.400 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -28.699 20.606 46.140 1.00 0.00 H new ATOM 724 N VAL A 46 -25.602 16.618 46.633 1.00 0.00 N ATOM 725 CA VAL A 46 -25.582 15.530 47.662 1.00 0.00 C ATOM 726 C VAL A 46 -25.783 16.157 49.049 1.00 0.00 C ATOM 727 O VAL A 46 -24.838 16.630 49.684 1.00 0.00 O ATOM 728 CB VAL A 46 -24.247 14.771 47.616 1.00 0.00 C ATOM 729 CG1 VAL A 46 -24.242 13.824 46.417 1.00 0.00 C ATOM 730 CG2 VAL A 46 -23.085 15.755 47.479 1.00 0.00 C ATOM 0 H VAL A 46 -25.048 17.441 46.871 1.00 0.00 H new ATOM 0 HA VAL A 46 -26.384 14.821 47.456 1.00 0.00 H new ATOM 0 HB VAL A 46 -24.131 14.204 48.540 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -23.295 13.285 46.383 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -25.062 13.112 46.512 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -24.365 14.399 45.499 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -22.144 15.205 47.448 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -23.201 16.329 46.560 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -23.080 16.433 48.332 1.00 0.00 H new ATOM 740 N GLY A 47 -27.001 16.182 49.523 1.00 0.00 N ATOM 741 CA GLY A 47 -27.287 16.787 50.863 1.00 0.00 C ATOM 742 C GLY A 47 -27.057 18.299 50.812 1.00 0.00 C ATOM 743 O GLY A 47 -27.977 19.074 50.570 1.00 0.00 O ATOM 0 H GLY A 47 -27.817 15.808 49.038 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -28.316 16.577 51.154 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -26.643 16.338 51.619 1.00 0.00 H new ATOM 747 N SER A 48 -25.847 18.733 51.036 1.00 0.00 N ATOM 748 CA SER A 48 -25.552 20.200 51.001 1.00 0.00 C ATOM 749 C SER A 48 -24.311 20.482 50.137 1.00 0.00 C ATOM 750 O SER A 48 -23.622 21.483 50.329 1.00 0.00 O ATOM 751 CB SER A 48 -25.300 20.702 52.423 1.00 0.00 C ATOM 752 OG SER A 48 -24.332 19.868 53.052 1.00 0.00 O ATOM 0 H SER A 48 -25.046 18.136 51.242 1.00 0.00 H new ATOM 0 HA SER A 48 -26.408 20.718 50.568 1.00 0.00 H new ATOM 0 HB2 SER A 48 -24.948 21.733 52.400 1.00 0.00 H new ATOM 0 HB3 SER A 48 -26.229 20.695 52.993 1.00 0.00 H new ATOM 0 HG SER A 48 -24.167 20.188 53.963 1.00 0.00 H new ATOM 758 N ILE A 49 -24.010 19.629 49.188 1.00 0.00 N ATOM 759 CA ILE A 49 -22.812 19.867 48.317 1.00 0.00 C ATOM 760 C ILE A 49 -23.237 19.861 46.838 1.00 0.00 C ATOM 761 O ILE A 49 -24.193 19.182 46.457 1.00 0.00 O ATOM 762 CB ILE A 49 -21.767 18.769 48.567 1.00 0.00 C ATOM 763 CG1 ILE A 49 -21.471 18.679 50.067 1.00 0.00 C ATOM 764 CG2 ILE A 49 -20.472 19.106 47.822 1.00 0.00 C ATOM 765 CD1 ILE A 49 -20.483 17.540 50.334 1.00 0.00 C ATOM 0 H ILE A 49 -24.538 18.782 48.978 1.00 0.00 H new ATOM 0 HA ILE A 49 -22.376 20.837 48.558 1.00 0.00 H new ATOM 0 HB ILE A 49 -22.157 17.817 48.208 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -21.057 19.623 50.422 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -22.395 18.508 50.620 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -19.734 18.324 48.003 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -20.674 19.174 46.753 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -20.084 20.060 48.179 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -20.276 17.481 51.403 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -20.914 16.598 49.995 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -19.555 17.730 49.795 1.00 0.00 H new ATOM 777 N VAL A 50 -22.536 20.603 46.007 1.00 0.00 N ATOM 778 CA VAL A 50 -22.866 20.673 44.543 1.00 0.00 C ATOM 779 C VAL A 50 -24.178 21.468 44.343 1.00 0.00 C ATOM 780 O VAL A 50 -24.791 21.923 45.307 1.00 0.00 O ATOM 781 CB VAL A 50 -22.984 19.250 43.977 1.00 0.00 C ATOM 782 CG1 VAL A 50 -23.080 19.288 42.449 1.00 0.00 C ATOM 783 CG2 VAL A 50 -21.747 18.439 44.368 1.00 0.00 C ATOM 0 H VAL A 50 -21.737 21.172 46.287 1.00 0.00 H new ATOM 0 HA VAL A 50 -22.071 21.190 44.006 1.00 0.00 H new ATOM 0 HB VAL A 50 -23.883 18.789 44.386 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -23.163 18.272 42.064 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -23.959 19.861 42.154 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -22.186 19.759 42.040 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -21.832 17.429 43.966 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -20.855 18.917 43.963 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -21.671 18.392 45.454 1.00 0.00 H new ATOM 793 N THR A 51 -24.611 21.637 43.115 1.00 0.00 N ATOM 794 CA THR A 51 -25.870 22.398 42.816 1.00 0.00 C ATOM 795 C THR A 51 -26.221 22.186 41.338 1.00 0.00 C ATOM 796 O THR A 51 -27.094 21.391 41.007 1.00 0.00 O ATOM 797 CB THR A 51 -25.683 23.905 43.064 1.00 0.00 C ATOM 798 OG1 THR A 51 -24.393 24.307 42.631 1.00 0.00 O ATOM 799 CG2 THR A 51 -25.840 24.225 44.549 1.00 0.00 C ATOM 0 H THR A 51 -24.135 21.272 42.290 1.00 0.00 H new ATOM 0 HA THR A 51 -26.663 22.036 43.470 1.00 0.00 H new ATOM 0 HB THR A 51 -26.444 24.446 42.502 1.00 0.00 H new ATOM 0 HG1 THR A 51 -24.279 25.267 42.789 1.00 0.00 H new ATOM 0 HG21 THR A 51 -25.705 25.295 44.707 1.00 0.00 H new ATOM 0 HG22 THR A 51 -26.836 23.932 44.881 1.00 0.00 H new ATOM 0 HG23 THR A 51 -25.091 23.676 45.121 1.00 0.00 H new ATOM 807 N GLU A 52 -25.546 22.867 40.441 1.00 0.00 N ATOM 808 CA GLU A 52 -25.841 22.693 38.982 1.00 0.00 C ATOM 809 C GLU A 52 -24.590 22.980 38.129 1.00 0.00 C ATOM 810 O GLU A 52 -23.565 23.444 38.629 1.00 0.00 O ATOM 811 CB GLU A 52 -26.971 23.645 38.577 1.00 0.00 C ATOM 812 CG GLU A 52 -26.554 25.100 38.835 1.00 0.00 C ATOM 813 CD GLU A 52 -27.434 25.709 39.929 1.00 0.00 C ATOM 814 OE1 GLU A 52 -28.620 25.862 39.692 1.00 0.00 O ATOM 815 OE2 GLU A 52 -26.904 26.007 40.986 1.00 0.00 O ATOM 0 H GLU A 52 -24.805 23.534 40.656 1.00 0.00 H new ATOM 0 HA GLU A 52 -26.144 21.661 38.808 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -27.211 23.509 37.522 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -27.873 23.412 39.142 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -25.507 25.139 39.135 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -26.645 25.681 37.918 1.00 0.00 H new ATOM 822 N GLY A 53 -24.657 22.699 36.847 1.00 0.00 N ATOM 823 CA GLY A 53 -23.481 22.949 35.950 1.00 0.00 C ATOM 824 C GLY A 53 -23.951 23.158 34.503 1.00 0.00 C ATOM 825 O GLY A 53 -24.366 22.215 33.819 1.00 0.00 O ATOM 0 H GLY A 53 -25.476 22.307 36.383 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -22.934 23.827 36.292 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -22.792 22.105 35.998 1.00 0.00 H new ATOM 829 N GLU A 54 -23.894 24.371 34.022 1.00 0.00 N ATOM 830 CA GLU A 54 -24.335 24.658 32.618 1.00 0.00 C ATOM 831 C GLU A 54 -23.286 24.139 31.620 1.00 0.00 C ATOM 832 O GLU A 54 -22.588 24.908 30.956 1.00 0.00 O ATOM 833 CB GLU A 54 -24.519 26.170 32.437 1.00 0.00 C ATOM 834 CG GLU A 54 -25.385 26.731 33.576 1.00 0.00 C ATOM 835 CD GLU A 54 -24.506 27.473 34.585 1.00 0.00 C ATOM 836 OE1 GLU A 54 -23.783 26.810 35.313 1.00 0.00 O ATOM 837 OE2 GLU A 54 -24.572 28.688 34.613 1.00 0.00 O ATOM 0 H GLU A 54 -23.560 25.183 34.541 1.00 0.00 H new ATOM 0 HA GLU A 54 -25.282 24.152 32.430 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -23.548 26.665 32.429 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -24.990 26.375 31.475 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -26.139 27.407 33.172 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -25.917 25.920 34.072 1.00 0.00 H new ATOM 844 N GLY A 55 -23.161 22.843 31.503 1.00 0.00 N ATOM 845 CA GLY A 55 -22.161 22.257 30.554 1.00 0.00 C ATOM 846 C GLY A 55 -22.361 22.828 29.144 1.00 0.00 C ATOM 847 O GLY A 55 -23.459 22.798 28.588 1.00 0.00 O ATOM 0 H GLY A 55 -23.710 22.160 32.025 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -21.151 22.474 30.901 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -22.264 21.172 30.532 1.00 0.00 H new ATOM 943 N LYS A 62 -23.498 16.975 31.885 1.00 0.00 N ATOM 944 CA LYS A 62 -23.697 15.538 32.262 1.00 0.00 C ATOM 945 C LYS A 62 -22.313 14.951 32.551 1.00 0.00 C ATOM 946 O LYS A 62 -22.030 14.513 33.664 1.00 0.00 O ATOM 947 CB LYS A 62 -24.399 14.772 31.123 1.00 0.00 C ATOM 948 CG LYS A 62 -25.619 14.022 31.674 1.00 0.00 C ATOM 949 CD LYS A 62 -26.904 14.748 31.250 1.00 0.00 C ATOM 950 CE LYS A 62 -27.315 14.308 29.840 1.00 0.00 C ATOM 951 NZ LYS A 62 -28.655 14.877 29.511 1.00 0.00 N ATOM 0 HA LYS A 62 -24.335 15.452 33.142 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -24.710 15.467 30.343 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -23.705 14.068 30.664 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -25.628 12.998 31.301 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -25.563 13.965 32.761 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -27.705 14.529 31.956 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -26.746 15.826 31.272 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -26.577 14.645 29.113 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -27.346 13.220 29.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -28.956 14.537 28.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -29.346 14.575 30.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -28.598 15.915 29.500 1.00 0.00 H new ATOM 965 N LYS A 63 -21.426 14.996 31.589 1.00 0.00 N ATOM 966 CA LYS A 63 -20.038 14.504 31.826 1.00 0.00 C ATOM 967 C LYS A 63 -19.349 15.480 32.793 1.00 0.00 C ATOM 968 O LYS A 63 -18.827 15.089 33.832 1.00 0.00 O ATOM 969 CB LYS A 63 -19.276 14.465 30.493 1.00 0.00 C ATOM 970 CG LYS A 63 -18.051 13.553 30.631 1.00 0.00 C ATOM 971 CD LYS A 63 -17.077 13.822 29.479 1.00 0.00 C ATOM 972 CE LYS A 63 -15.641 13.726 29.993 1.00 0.00 C ATOM 973 NZ LYS A 63 -15.149 15.093 30.336 1.00 0.00 N ATOM 0 H LYS A 63 -21.605 15.353 30.650 1.00 0.00 H new ATOM 0 HA LYS A 63 -20.053 13.500 32.251 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -19.928 14.099 29.700 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -18.964 15.471 30.211 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -17.558 13.732 31.587 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -18.360 12.508 30.622 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -17.237 13.101 28.678 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -17.259 14.811 29.058 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -15.599 13.081 30.870 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -15.000 13.276 29.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.307 15.017 30.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.903 15.602 29.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.894 15.613 30.842 1.00 0.00 H new ATOM 987 N ARG A 64 -19.369 16.749 32.461 1.00 0.00 N ATOM 988 CA ARG A 64 -18.743 17.792 33.336 1.00 0.00 C ATOM 989 C ARG A 64 -19.476 17.868 34.686 1.00 0.00 C ATOM 990 O ARG A 64 -18.851 17.968 35.742 1.00 0.00 O ATOM 991 CB ARG A 64 -18.828 19.148 32.625 1.00 0.00 C ATOM 992 CG ARG A 64 -17.654 20.035 33.060 1.00 0.00 C ATOM 993 CD ARG A 64 -16.364 19.535 32.403 1.00 0.00 C ATOM 994 NE ARG A 64 -15.283 19.454 33.432 1.00 0.00 N ATOM 995 CZ ARG A 64 -14.054 19.663 33.104 1.00 0.00 C ATOM 996 NH1 ARG A 64 -13.612 20.872 32.998 1.00 0.00 N ATOM 997 NH2 ARG A 64 -13.272 18.665 32.883 1.00 0.00 N ATOM 0 H ARG A 64 -19.798 17.111 31.610 1.00 0.00 H new ATOM 0 HA ARG A 64 -17.701 17.531 33.522 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -18.807 19.005 31.545 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -19.773 19.636 32.864 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -17.842 21.070 32.775 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -17.553 20.016 34.145 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -16.528 18.556 31.953 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -16.067 20.209 31.600 1.00 0.00 H new ATOM 0 HE ARG A 64 -15.519 19.232 34.399 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -14.235 21.660 33.174 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.640 21.039 32.739 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -13.625 17.712 32.968 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.299 18.827 32.623 1.00 0.00 H new ATOM 1011 N ALA A 65 -20.788 17.817 34.676 1.00 0.00 N ATOM 1012 CA ALA A 65 -21.551 17.873 35.961 1.00 0.00 C ATOM 1013 C ALA A 65 -21.053 16.739 36.874 1.00 0.00 C ATOM 1014 O ALA A 65 -20.790 16.940 38.061 1.00 0.00 O ATOM 1015 CB ALA A 65 -23.050 17.710 35.676 1.00 0.00 C ATOM 0 H ALA A 65 -21.360 17.739 33.835 1.00 0.00 H new ATOM 0 HA ALA A 65 -21.395 18.833 36.453 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -23.605 17.751 36.613 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -23.385 18.514 35.020 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -23.226 16.749 35.192 1.00 0.00 H new ATOM 1021 N ALA A 66 -20.889 15.560 36.326 1.00 0.00 N ATOM 1022 CA ALA A 66 -20.373 14.418 37.134 1.00 0.00 C ATOM 1023 C ALA A 66 -18.887 14.662 37.445 1.00 0.00 C ATOM 1024 O ALA A 66 -18.440 14.471 38.574 1.00 0.00 O ATOM 1025 CB ALA A 66 -20.542 13.119 36.341 1.00 0.00 C ATOM 0 H ALA A 66 -21.092 15.341 35.351 1.00 0.00 H new ATOM 0 HA ALA A 66 -20.929 14.335 38.068 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -20.166 12.282 36.929 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -21.598 12.962 36.121 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -19.983 13.187 35.408 1.00 0.00 H new ATOM 1031 N GLU A 67 -18.123 15.099 36.467 1.00 0.00 N ATOM 1032 CA GLU A 67 -16.669 15.383 36.700 1.00 0.00 C ATOM 1033 C GLU A 67 -16.516 16.240 37.963 1.00 0.00 C ATOM 1034 O GLU A 67 -15.760 15.906 38.877 1.00 0.00 O ATOM 1035 CB GLU A 67 -16.101 16.144 35.494 1.00 0.00 C ATOM 1036 CG GLU A 67 -15.676 15.149 34.405 1.00 0.00 C ATOM 1037 CD GLU A 67 -15.379 15.893 33.103 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -16.305 16.124 32.342 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -14.224 16.207 32.866 1.00 0.00 O ATOM 0 H GLU A 67 -18.446 15.271 35.515 1.00 0.00 H new ATOM 0 HA GLU A 67 -16.127 14.446 36.828 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.850 16.831 35.100 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.247 16.747 35.802 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.792 14.599 34.729 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.466 14.416 34.242 1.00 0.00 H new ATOM 1046 N LYS A 68 -17.236 17.329 38.040 1.00 0.00 N ATOM 1047 CA LYS A 68 -17.154 18.200 39.252 1.00 0.00 C ATOM 1048 C LYS A 68 -17.658 17.412 40.470 1.00 0.00 C ATOM 1049 O LYS A 68 -16.978 17.324 41.489 1.00 0.00 O ATOM 1050 CB LYS A 68 -18.006 19.465 39.051 1.00 0.00 C ATOM 1051 CG LYS A 68 -17.119 20.712 39.175 1.00 0.00 C ATOM 1052 CD LYS A 68 -16.520 20.784 40.587 1.00 0.00 C ATOM 1053 CE LYS A 68 -16.531 22.232 41.083 1.00 0.00 C ATOM 1054 NZ LYS A 68 -15.638 22.353 42.274 1.00 0.00 N ATOM 0 H LYS A 68 -17.877 17.653 37.316 1.00 0.00 H new ATOM 0 HA LYS A 68 -16.120 18.502 39.416 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -18.483 19.442 38.071 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -18.804 19.499 39.793 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.322 20.678 38.433 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -17.705 21.608 38.972 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -17.092 20.153 41.267 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -15.500 20.401 40.579 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -16.194 22.902 40.292 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -17.546 22.532 41.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.197 23.295 42.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.197 22.224 43.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.897 21.624 42.228 1.00 0.00 H new ATOM 1068 N MET A 69 -18.825 16.820 40.377 1.00 0.00 N ATOM 1069 CA MET A 69 -19.367 16.019 41.525 1.00 0.00 C ATOM 1070 C MET A 69 -18.295 15.045 42.046 1.00 0.00 C ATOM 1071 O MET A 69 -18.131 14.867 43.253 1.00 0.00 O ATOM 1072 CB MET A 69 -20.589 15.219 41.055 1.00 0.00 C ATOM 1073 CG MET A 69 -21.844 15.727 41.768 1.00 0.00 C ATOM 1074 SD MET A 69 -22.136 14.740 43.256 1.00 0.00 S ATOM 1075 CE MET A 69 -23.591 15.643 43.842 1.00 0.00 C ATOM 0 H MET A 69 -19.428 16.856 39.555 1.00 0.00 H new ATOM 0 HA MET A 69 -19.653 16.699 42.328 1.00 0.00 H new ATOM 0 HB2 MET A 69 -20.707 15.318 39.976 1.00 0.00 H new ATOM 0 HB3 MET A 69 -20.444 14.159 41.264 1.00 0.00 H new ATOM 0 HG2 MET A 69 -21.724 16.777 42.034 1.00 0.00 H new ATOM 0 HG3 MET A 69 -22.704 15.663 41.102 1.00 0.00 H new ATOM 0 HE1 MET A 69 -23.415 15.996 44.858 1.00 0.00 H new ATOM 0 HE2 MET A 69 -23.777 16.496 43.189 1.00 0.00 H new ATOM 0 HE3 MET A 69 -24.458 14.982 43.832 1.00 0.00 H new ATOM 1085 N LEU A 70 -17.569 14.409 41.162 1.00 0.00 N ATOM 1086 CA LEU A 70 -16.517 13.444 41.606 1.00 0.00 C ATOM 1087 C LEU A 70 -15.370 14.190 42.305 1.00 0.00 C ATOM 1088 O LEU A 70 -15.025 13.879 43.445 1.00 0.00 O ATOM 1089 CB LEU A 70 -15.979 12.674 40.394 1.00 0.00 C ATOM 1090 CG LEU A 70 -17.052 11.716 39.865 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -16.445 10.828 38.782 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -17.566 10.834 41.004 1.00 0.00 C ATOM 0 H LEU A 70 -17.659 14.516 40.152 1.00 0.00 H new ATOM 0 HA LEU A 70 -16.957 12.741 42.313 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.684 13.372 39.610 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -15.086 12.115 40.675 1.00 0.00 H new ATOM 0 HG LEU A 70 -17.878 12.295 39.452 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -17.205 10.145 38.403 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.077 11.450 37.966 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -15.619 10.254 39.202 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -18.329 10.155 40.623 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -16.740 10.256 41.418 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -17.997 11.462 41.784 1.00 0.00 H new ATOM 1104 N VAL A 71 -14.774 15.169 41.665 1.00 0.00 N ATOM 1105 CA VAL A 71 -13.661 15.917 42.326 1.00 0.00 C ATOM 1106 C VAL A 71 -14.163 16.524 43.649 1.00 0.00 C ATOM 1107 O VAL A 71 -13.421 16.603 44.627 1.00 0.00 O ATOM 1108 CB VAL A 71 -13.135 17.022 41.396 1.00 0.00 C ATOM 1109 CG1 VAL A 71 -12.573 16.401 40.118 1.00 0.00 C ATOM 1110 CG2 VAL A 71 -14.263 17.984 41.024 1.00 0.00 C ATOM 0 H VAL A 71 -15.009 15.479 40.722 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.843 15.229 42.537 1.00 0.00 H new ATOM 0 HB VAL A 71 -12.350 17.568 41.919 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.202 17.189 39.463 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.756 15.725 40.371 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -13.359 15.845 39.607 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.876 18.761 40.365 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -15.055 17.436 40.513 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -14.664 18.442 41.928 1.00 0.00 H new ATOM 1120 N GLU A 72 -15.411 16.933 43.710 1.00 0.00 N ATOM 1121 CA GLU A 72 -15.950 17.504 44.985 1.00 0.00 C ATOM 1122 C GLU A 72 -16.123 16.368 46.001 1.00 0.00 C ATOM 1123 O GLU A 72 -15.630 16.439 47.124 1.00 0.00 O ATOM 1124 CB GLU A 72 -17.307 18.178 44.738 1.00 0.00 C ATOM 1125 CG GLU A 72 -17.200 19.168 43.571 1.00 0.00 C ATOM 1126 CD GLU A 72 -17.737 20.531 43.989 1.00 0.00 C ATOM 1127 OE1 GLU A 72 -18.944 20.668 44.084 1.00 0.00 O ATOM 1128 OE2 GLU A 72 -16.925 21.426 44.176 1.00 0.00 O ATOM 0 H GLU A 72 -16.074 16.896 42.936 1.00 0.00 H new ATOM 0 HA GLU A 72 -15.254 18.250 45.368 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -18.062 17.423 44.517 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -17.632 18.699 45.638 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -16.161 19.259 43.256 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -17.761 18.794 42.715 1.00 0.00 H new ATOM 1135 N LEU A 73 -16.798 15.309 45.621 1.00 0.00 N ATOM 1136 CA LEU A 73 -16.990 14.155 46.558 1.00 0.00 C ATOM 1137 C LEU A 73 -15.629 13.517 46.890 1.00 0.00 C ATOM 1138 O LEU A 73 -15.467 12.861 47.915 1.00 0.00 O ATOM 1139 CB LEU A 73 -17.909 13.113 45.906 1.00 0.00 C ATOM 1140 CG LEU A 73 -19.342 13.649 45.847 1.00 0.00 C ATOM 1141 CD1 LEU A 73 -20.268 12.572 45.284 1.00 0.00 C ATOM 1142 CD2 LEU A 73 -19.808 14.033 47.253 1.00 0.00 C ATOM 0 H LEU A 73 -17.225 15.193 44.702 1.00 0.00 H new ATOM 0 HA LEU A 73 -17.447 14.513 47.481 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -17.556 12.882 44.901 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -17.882 12.184 46.475 1.00 0.00 H new ATOM 0 HG LEU A 73 -19.370 14.528 45.203 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -21.288 12.954 45.242 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -19.941 12.300 44.280 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -20.236 11.692 45.927 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -20.828 14.414 47.207 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -19.777 13.155 47.899 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -19.151 14.803 47.656 1.00 0.00 H new ATOM 1154 N GLN A 74 -14.648 13.697 46.048 1.00 0.00 N ATOM 1155 CA GLN A 74 -13.302 13.114 46.325 1.00 0.00 C ATOM 1156 C GLN A 74 -12.483 14.088 47.194 1.00 0.00 C ATOM 1157 O GLN A 74 -11.489 13.705 47.808 1.00 0.00 O ATOM 1158 CB GLN A 74 -12.582 12.870 45.000 1.00 0.00 C ATOM 1159 CG GLN A 74 -13.127 11.589 44.355 1.00 0.00 C ATOM 1160 CD GLN A 74 -12.156 11.096 43.285 1.00 0.00 C ATOM 1161 OE1 GLN A 74 -12.477 11.088 42.106 1.00 0.00 O ATOM 1162 NE2 GLN A 74 -10.978 10.681 43.634 1.00 0.00 N ATOM 0 H GLN A 74 -14.720 14.224 45.178 1.00 0.00 H new ATOM 0 HA GLN A 74 -13.413 12.171 46.860 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -12.729 13.718 44.332 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -11.509 12.778 45.168 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -13.267 10.820 45.114 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -14.104 11.781 43.912 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -10.706 10.686 44.617 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -10.323 10.350 42.925 1.00 0.00 H new ATOM 1171 N LYS A 75 -12.889 15.332 47.260 1.00 0.00 N ATOM 1172 CA LYS A 75 -12.154 16.334 48.094 1.00 0.00 C ATOM 1173 C LYS A 75 -12.929 16.592 49.403 1.00 0.00 C ATOM 1174 O LYS A 75 -12.385 17.153 50.357 1.00 0.00 O ATOM 1175 CB LYS A 75 -12.024 17.645 47.305 1.00 0.00 C ATOM 1176 CG LYS A 75 -10.759 18.392 47.739 1.00 0.00 C ATOM 1177 CD LYS A 75 -10.730 19.775 47.073 1.00 0.00 C ATOM 1178 CE LYS A 75 -10.417 20.847 48.119 1.00 0.00 C ATOM 1179 NZ LYS A 75 -8.948 20.850 48.390 1.00 0.00 N ATOM 0 H LYS A 75 -13.704 15.699 46.768 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.163 15.951 48.337 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.983 17.434 46.236 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.901 18.269 47.474 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.740 18.498 48.824 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.873 17.823 47.459 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.978 19.793 46.284 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.691 19.983 46.602 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.736 21.826 47.761 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.969 20.648 49.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.728 21.577 49.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.659 19.917 48.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.433 21.058 47.511 1.00 0.00 H new ATOM 1193 N LEU A 76 -14.184 16.210 49.452 1.00 0.00 N ATOM 1194 CA LEU A 76 -15.014 16.427 50.667 1.00 0.00 C ATOM 1195 C LEU A 76 -15.527 15.070 51.204 1.00 0.00 C ATOM 1196 O LEU A 76 -15.616 14.929 52.413 1.00 0.00 O ATOM 1197 CB LEU A 76 -16.209 17.300 50.277 1.00 0.00 C ATOM 1198 CG LEU A 76 -15.738 18.703 49.886 1.00 0.00 C ATOM 1199 CD1 LEU A 76 -16.864 19.430 49.153 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -15.371 19.491 51.142 1.00 0.00 C ATOM 1201 OXT LEU A 76 -15.837 14.197 50.399 1.00 0.00 O ATOM 0 H LEU A 76 -14.671 15.749 48.684 1.00 0.00 H new ATOM 0 HA LEU A 76 -14.421 16.911 51.442 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -16.745 16.844 49.444 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -16.909 17.363 51.110 1.00 0.00 H new ATOM 0 HG LEU A 76 -14.866 18.621 49.238 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -16.531 20.429 48.874 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -17.133 18.873 48.255 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -17.733 19.507 49.806 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -15.036 20.489 50.860 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -16.244 19.570 51.790 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -14.571 18.976 51.674 1.00 0.00 H new