USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=12 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 44 CYS SG : rot -40:sc= -4.05! USER MOD Set 1.2: A 51 THR OG1 : rot 180:sc= -0.864 USER MOD Set 1.3: A 69 MET CE :methyl -168:sc= -5.4! (180deg=-3.66!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.373 K(o=-0.37,f=-1.1) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0.375 X(o=0.37,f=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= -1.48 USER MOD Single : A 25 HIS : no HE2:sc= -1.3 K(o=-1.3,f=-3.9!) USER MOD Single : A 27 LYS NZ :NH3+ -135:sc= 0.721 (180deg=-0.932!) USER MOD Single : A 42 THR OG1 : rot 91:sc= -0.386! USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.133) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -164:sc= 0.367 (180deg=-1.02) USER MOD Single : A 74 GLN : amide:sc= -0.126 X(o=-0.13,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -179:sc= 0.686 (180deg=0.553) USER MOD ----------------------------------------------------------------- ATOM 121 N PRO A 9 -17.575 16.622 2.743 1.00 0.00 N ATOM 122 CA PRO A 9 -16.556 15.995 3.608 1.00 0.00 C ATOM 123 C PRO A 9 -16.827 16.318 5.084 1.00 0.00 C ATOM 124 O PRO A 9 -16.493 15.540 5.973 1.00 0.00 O ATOM 125 CB PRO A 9 -15.241 16.618 3.126 1.00 0.00 C ATOM 126 CG PRO A 9 -15.621 17.942 2.422 1.00 0.00 C ATOM 127 CD PRO A 9 -17.087 17.791 1.978 1.00 0.00 C ATOM 0 HA PRO A 9 -16.547 14.907 3.544 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -14.568 16.802 3.963 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -14.722 15.948 2.441 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -15.505 18.789 3.098 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -14.973 18.127 1.566 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -17.667 18.686 2.204 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -17.163 17.625 0.903 1.00 0.00 H new ATOM 135 N ILE A 10 -17.444 17.440 5.356 1.00 0.00 N ATOM 136 CA ILE A 10 -17.761 17.810 6.772 1.00 0.00 C ATOM 137 C ILE A 10 -18.619 16.704 7.397 1.00 0.00 C ATOM 138 O ILE A 10 -18.407 16.302 8.540 1.00 0.00 O ATOM 139 CB ILE A 10 -18.540 19.132 6.791 1.00 0.00 C ATOM 140 CG1 ILE A 10 -17.750 20.215 6.051 1.00 0.00 C ATOM 141 CG2 ILE A 10 -18.770 19.577 8.236 1.00 0.00 C ATOM 142 CD1 ILE A 10 -16.347 20.340 6.651 1.00 0.00 C ATOM 0 H ILE A 10 -17.744 18.119 4.657 1.00 0.00 H new ATOM 0 HA ILE A 10 -16.837 17.926 7.339 1.00 0.00 H new ATOM 0 HB ILE A 10 -19.500 18.982 6.297 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -17.681 19.967 4.992 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -18.271 21.170 6.122 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -19.323 20.516 8.244 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -19.342 18.814 8.765 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -17.809 19.718 8.731 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -15.791 21.112 6.119 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -16.424 20.609 7.704 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -15.825 19.388 6.557 1.00 0.00 H new ATOM 154 N SER A 11 -19.575 16.202 6.659 1.00 0.00 N ATOM 155 CA SER A 11 -20.442 15.112 7.193 1.00 0.00 C ATOM 156 C SER A 11 -19.642 13.808 7.227 1.00 0.00 C ATOM 157 O SER A 11 -19.413 13.244 8.288 1.00 0.00 O ATOM 158 CB SER A 11 -21.673 14.940 6.300 1.00 0.00 C ATOM 159 OG SER A 11 -22.847 15.093 7.091 1.00 0.00 O ATOM 0 H SER A 11 -19.792 16.501 5.708 1.00 0.00 H new ATOM 0 HA SER A 11 -20.770 15.368 8.200 1.00 0.00 H new ATOM 0 HB2 SER A 11 -21.661 15.678 5.497 1.00 0.00 H new ATOM 0 HB3 SER A 11 -21.662 13.957 5.830 1.00 0.00 H new ATOM 0 HG SER A 11 -23.639 14.986 6.524 1.00 0.00 H new ATOM 165 N GLN A 12 -19.203 13.326 6.088 1.00 0.00 N ATOM 166 CA GLN A 12 -18.412 12.049 6.049 1.00 0.00 C ATOM 167 C GLN A 12 -17.249 12.082 7.057 1.00 0.00 C ATOM 168 O GLN A 12 -16.970 11.088 7.731 1.00 0.00 O ATOM 169 CB GLN A 12 -17.869 11.833 4.632 1.00 0.00 C ATOM 170 CG GLN A 12 -18.959 11.187 3.766 1.00 0.00 C ATOM 171 CD GLN A 12 -18.346 10.653 2.474 1.00 0.00 C ATOM 172 OE1 GLN A 12 -18.608 11.170 1.394 1.00 0.00 O ATOM 173 NE2 GLN A 12 -17.536 9.639 2.521 1.00 0.00 N ATOM 0 H GLN A 12 -19.358 13.762 5.179 1.00 0.00 H new ATOM 0 HA GLN A 12 -19.070 11.225 6.324 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -17.560 12.785 4.199 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -16.986 11.195 4.662 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -19.438 10.376 4.314 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -19.734 11.918 3.536 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -17.314 9.205 3.417 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -17.122 9.277 1.662 1.00 0.00 H new ATOM 182 N VAL A 13 -16.561 13.187 7.186 1.00 0.00 N ATOM 183 CA VAL A 13 -15.431 13.236 8.167 1.00 0.00 C ATOM 184 C VAL A 13 -15.992 13.113 9.584 1.00 0.00 C ATOM 185 O VAL A 13 -15.444 12.407 10.418 1.00 0.00 O ATOM 186 CB VAL A 13 -14.631 14.539 7.995 1.00 0.00 C ATOM 187 CG1 VAL A 13 -15.137 15.628 8.945 1.00 0.00 C ATOM 188 CG2 VAL A 13 -13.156 14.269 8.291 1.00 0.00 C ATOM 0 H VAL A 13 -16.727 14.047 6.664 1.00 0.00 H new ATOM 0 HA VAL A 13 -14.749 12.405 7.986 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.758 14.885 6.969 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.553 16.537 8.801 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -16.187 15.834 8.736 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -15.032 15.289 9.976 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -12.586 15.190 8.170 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -13.050 13.909 9.314 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -12.778 13.515 7.600 1.00 0.00 H new ATOM 198 N HIS A 14 -17.093 13.749 9.861 1.00 0.00 N ATOM 199 CA HIS A 14 -17.703 13.617 11.216 1.00 0.00 C ATOM 200 C HIS A 14 -18.343 12.218 11.317 1.00 0.00 C ATOM 201 O HIS A 14 -18.420 11.623 12.389 1.00 0.00 O ATOM 202 CB HIS A 14 -18.765 14.702 11.402 1.00 0.00 C ATOM 203 CG HIS A 14 -18.126 15.956 11.936 1.00 0.00 C ATOM 204 ND1 HIS A 14 -18.144 16.280 13.281 1.00 0.00 N ATOM 205 CD2 HIS A 14 -17.453 16.977 11.315 1.00 0.00 C ATOM 206 CE1 HIS A 14 -17.498 17.453 13.427 1.00 0.00 C ATOM 207 NE2 HIS A 14 -17.056 17.922 12.258 1.00 0.00 N ATOM 0 H HIS A 14 -17.598 14.353 9.212 1.00 0.00 H new ATOM 0 HA HIS A 14 -16.948 13.735 11.993 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -19.256 14.910 10.451 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -19.536 14.355 12.090 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -17.260 17.039 10.254 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -17.355 17.953 14.374 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -16.539 18.786 12.091 1.00 0.00 H new ATOM 215 N GLU A 15 -18.775 11.679 10.202 1.00 0.00 N ATOM 216 CA GLU A 15 -19.388 10.316 10.175 1.00 0.00 C ATOM 217 C GLU A 15 -18.413 9.306 10.797 1.00 0.00 C ATOM 218 O GLU A 15 -18.765 8.551 11.700 1.00 0.00 O ATOM 219 CB GLU A 15 -19.654 9.926 8.714 1.00 0.00 C ATOM 220 CG GLU A 15 -21.090 10.298 8.318 1.00 0.00 C ATOM 221 CD GLU A 15 -21.173 10.511 6.804 1.00 0.00 C ATOM 222 OE1 GLU A 15 -20.951 9.555 6.075 1.00 0.00 O ATOM 223 OE2 GLU A 15 -21.450 11.626 6.398 1.00 0.00 O ATOM 0 H GLU A 15 -18.727 12.137 9.292 1.00 0.00 H new ATOM 0 HA GLU A 15 -20.320 10.316 10.740 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -18.946 10.434 8.060 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -19.499 8.855 8.582 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -21.777 9.508 8.621 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -21.397 11.205 8.839 1.00 0.00 H new ATOM 230 N ILE A 16 -17.190 9.279 10.328 1.00 0.00 N ATOM 231 CA ILE A 16 -16.189 8.317 10.888 1.00 0.00 C ATOM 232 C ILE A 16 -15.257 9.038 11.874 1.00 0.00 C ATOM 233 O ILE A 16 -14.841 8.469 12.883 1.00 0.00 O ATOM 234 CB ILE A 16 -15.371 7.707 9.744 1.00 0.00 C ATOM 235 CG1 ILE A 16 -14.975 8.792 8.735 1.00 0.00 C ATOM 236 CG2 ILE A 16 -16.203 6.640 9.026 1.00 0.00 C ATOM 237 CD1 ILE A 16 -13.935 8.229 7.771 1.00 0.00 C ATOM 0 H ILE A 16 -16.841 9.881 9.582 1.00 0.00 H new ATOM 0 HA ILE A 16 -16.713 7.523 11.420 1.00 0.00 H new ATOM 0 HB ILE A 16 -14.471 7.257 10.162 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -15.853 9.130 8.184 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -14.572 9.660 9.257 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -15.618 6.209 8.213 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -16.477 5.856 9.732 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -17.107 7.095 8.621 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -13.651 8.998 7.052 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -13.055 7.912 8.330 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -14.355 7.374 7.241 1.00 0.00 H new ATOM 249 N GLY A 17 -14.938 10.279 11.612 1.00 0.00 N ATOM 250 CA GLY A 17 -14.055 11.057 12.535 1.00 0.00 C ATOM 251 C GLY A 17 -14.761 11.230 13.881 1.00 0.00 C ATOM 252 O GLY A 17 -14.135 11.184 14.930 1.00 0.00 O ATOM 0 H GLY A 17 -15.254 10.793 10.790 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -13.106 10.538 12.673 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -13.826 12.031 12.103 1.00 0.00 H new ATOM 256 N ILE A 18 -16.057 11.409 13.870 1.00 0.00 N ATOM 257 CA ILE A 18 -16.806 11.554 15.152 1.00 0.00 C ATOM 258 C ILE A 18 -17.460 10.203 15.481 1.00 0.00 C ATOM 259 O ILE A 18 -17.148 9.591 16.503 1.00 0.00 O ATOM 260 CB ILE A 18 -17.864 12.676 15.015 1.00 0.00 C ATOM 261 CG1 ILE A 18 -17.389 13.910 15.785 1.00 0.00 C ATOM 262 CG2 ILE A 18 -19.227 12.233 15.571 1.00 0.00 C ATOM 263 CD1 ILE A 18 -17.351 13.608 17.287 1.00 0.00 C ATOM 0 H ILE A 18 -16.629 11.461 13.027 1.00 0.00 H new ATOM 0 HA ILE A 18 -16.134 11.833 15.964 1.00 0.00 H new ATOM 0 HB ILE A 18 -17.983 12.905 13.956 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -16.398 14.205 15.440 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -18.057 14.749 15.591 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -19.947 13.044 15.459 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -19.577 11.359 15.022 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -19.125 11.981 16.627 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -17.012 14.492 17.827 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -18.349 13.335 17.629 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -16.665 12.782 17.475 1.00 0.00 H new ATOM 275 N LYS A 19 -18.343 9.728 14.623 1.00 0.00 N ATOM 276 CA LYS A 19 -19.038 8.412 14.848 1.00 0.00 C ATOM 277 C LYS A 19 -19.313 8.201 16.352 1.00 0.00 C ATOM 278 O LYS A 19 -20.311 8.678 16.886 1.00 0.00 O ATOM 279 CB LYS A 19 -18.173 7.267 14.274 1.00 0.00 C ATOM 280 CG LYS A 19 -18.871 5.923 14.518 1.00 0.00 C ATOM 281 CD LYS A 19 -18.217 4.837 13.655 1.00 0.00 C ATOM 282 CE LYS A 19 -19.231 4.307 12.637 1.00 0.00 C ATOM 283 NZ LYS A 19 -18.517 3.470 11.624 1.00 0.00 N ATOM 0 H LYS A 19 -18.614 10.205 13.763 1.00 0.00 H new ATOM 0 HA LYS A 19 -19.998 8.416 14.332 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -18.015 7.417 13.206 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -17.190 7.269 14.745 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -18.804 5.653 15.572 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -19.931 6.004 14.277 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -17.347 5.244 13.139 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -17.861 4.023 14.286 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -19.996 3.716 13.141 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -19.741 5.137 12.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -19.201 3.107 10.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.803 4.048 11.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -18.050 2.672 12.100 1.00 0.00 H new ATOM 297 N ARG A 20 -18.440 7.512 17.043 1.00 0.00 N ATOM 298 CA ARG A 20 -18.632 7.290 18.508 1.00 0.00 C ATOM 299 C ARG A 20 -17.309 6.807 19.139 1.00 0.00 C ATOM 300 O ARG A 20 -17.301 6.094 20.140 1.00 0.00 O ATOM 301 CB ARG A 20 -19.742 6.248 18.724 1.00 0.00 C ATOM 302 CG ARG A 20 -19.252 4.855 18.310 1.00 0.00 C ATOM 303 CD ARG A 20 -19.181 3.960 19.547 1.00 0.00 C ATOM 304 NE ARG A 20 -19.315 2.531 19.135 1.00 0.00 N ATOM 305 CZ ARG A 20 -19.152 1.591 20.002 1.00 0.00 C ATOM 306 NH1 ARG A 20 -17.962 1.255 20.370 1.00 0.00 N ATOM 307 NH2 ARG A 20 -20.180 0.998 20.504 1.00 0.00 N ATOM 0 H ARG A 20 -17.597 7.091 16.652 1.00 0.00 H new ATOM 0 HA ARG A 20 -18.925 8.225 18.987 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -20.043 6.239 19.772 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -20.623 6.519 18.142 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -19.928 4.423 17.572 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -18.271 4.926 17.841 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -18.235 4.113 20.066 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -19.974 4.224 20.246 1.00 0.00 H new ATOM 0 HE ARG A 20 -19.536 2.298 18.167 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -17.152 1.733 19.975 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -17.831 0.511 21.056 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -21.119 1.273 20.215 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -20.055 0.254 21.190 1.00 0.00 H new ATOM 321 N ASN A 21 -16.191 7.171 18.561 1.00 0.00 N ATOM 322 CA ASN A 21 -14.875 6.721 19.119 1.00 0.00 C ATOM 323 C ASN A 21 -13.759 7.761 18.863 1.00 0.00 C ATOM 324 O ASN A 21 -12.631 7.585 19.320 1.00 0.00 O ATOM 325 CB ASN A 21 -14.502 5.390 18.458 1.00 0.00 C ATOM 326 CG ASN A 21 -13.937 4.433 19.504 1.00 0.00 C ATOM 327 OD1 ASN A 21 -14.495 3.368 19.741 1.00 0.00 O ATOM 328 ND2 ASN A 21 -12.857 4.752 20.148 1.00 0.00 N ATOM 0 H ASN A 21 -16.131 7.758 17.729 1.00 0.00 H new ATOM 0 HA ASN A 21 -14.972 6.605 20.199 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -15.380 4.950 17.986 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.767 5.558 17.671 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.475 4.117 20.849 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.390 5.638 19.953 1.00 0.00 H new ATOM 335 N MET A 22 -14.039 8.830 18.155 1.00 0.00 N ATOM 336 CA MET A 22 -12.990 9.860 17.890 1.00 0.00 C ATOM 337 C MET A 22 -13.576 11.256 18.148 1.00 0.00 C ATOM 338 O MET A 22 -14.734 11.528 17.838 1.00 0.00 O ATOM 339 CB MET A 22 -12.527 9.742 16.436 1.00 0.00 C ATOM 340 CG MET A 22 -11.298 8.840 16.372 1.00 0.00 C ATOM 341 SD MET A 22 -9.840 9.770 16.904 1.00 0.00 S ATOM 342 CE MET A 22 -9.034 8.422 17.800 1.00 0.00 C ATOM 0 H MET A 22 -14.953 9.032 17.749 1.00 0.00 H new ATOM 0 HA MET A 22 -12.137 9.705 18.550 1.00 0.00 H new ATOM 0 HB2 MET A 22 -13.327 9.331 15.819 1.00 0.00 H new ATOM 0 HB3 MET A 22 -12.290 10.728 16.036 1.00 0.00 H new ATOM 0 HG2 MET A 22 -11.440 7.968 17.011 1.00 0.00 H new ATOM 0 HG3 MET A 22 -11.157 8.471 15.356 1.00 0.00 H new ATOM 0 HE1 MET A 22 -8.094 8.777 18.222 1.00 0.00 H new ATOM 0 HE2 MET A 22 -9.686 8.078 18.603 1.00 0.00 H new ATOM 0 HE3 MET A 22 -8.836 7.597 17.115 1.00 0.00 H new ATOM 352 N THR A 23 -12.814 12.140 18.732 1.00 0.00 N ATOM 353 CA THR A 23 -13.344 13.509 19.030 1.00 0.00 C ATOM 354 C THR A 23 -13.013 14.482 17.895 1.00 0.00 C ATOM 355 O THR A 23 -12.053 15.246 17.974 1.00 0.00 O ATOM 356 CB THR A 23 -12.727 14.028 20.335 1.00 0.00 C ATOM 357 OG1 THR A 23 -11.531 13.314 20.613 1.00 0.00 O ATOM 358 CG2 THR A 23 -13.712 13.823 21.481 1.00 0.00 C ATOM 0 H THR A 23 -11.848 11.978 19.017 1.00 0.00 H new ATOM 0 HA THR A 23 -14.427 13.442 19.130 1.00 0.00 H new ATOM 0 HB THR A 23 -12.503 15.089 20.230 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.137 13.648 21.446 1.00 0.00 H new ATOM 0 HG21 THR A 23 -13.273 14.192 22.408 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.632 14.369 21.272 1.00 0.00 H new ATOM 0 HG23 THR A 23 -13.936 12.761 21.583 1.00 0.00 H new ATOM 366 N VAL A 24 -13.799 14.488 16.852 1.00 0.00 N ATOM 367 CA VAL A 24 -13.547 15.437 15.718 1.00 0.00 C ATOM 368 C VAL A 24 -14.410 16.688 15.933 1.00 0.00 C ATOM 369 O VAL A 24 -15.635 16.649 15.798 1.00 0.00 O ATOM 370 CB VAL A 24 -13.913 14.765 14.386 1.00 0.00 C ATOM 371 CG1 VAL A 24 -13.973 15.811 13.269 1.00 0.00 C ATOM 372 CG2 VAL A 24 -12.851 13.726 14.035 1.00 0.00 C ATOM 0 H VAL A 24 -14.607 13.877 16.732 1.00 0.00 H new ATOM 0 HA VAL A 24 -12.493 15.715 15.686 1.00 0.00 H new ATOM 0 HB VAL A 24 -14.887 14.286 14.486 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -14.233 15.325 12.329 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -14.728 16.559 13.511 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -13.001 16.294 13.171 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -13.108 13.248 13.090 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -11.881 14.214 13.942 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -12.804 12.973 14.822 1.00 0.00 H new ATOM 382 N HIS A 25 -13.807 17.794 16.287 1.00 0.00 N ATOM 383 CA HIS A 25 -14.612 19.033 16.535 1.00 0.00 C ATOM 384 C HIS A 25 -13.966 20.258 15.869 1.00 0.00 C ATOM 385 O HIS A 25 -12.744 20.394 15.812 1.00 0.00 O ATOM 386 CB HIS A 25 -14.712 19.278 18.046 1.00 0.00 C ATOM 387 CG HIS A 25 -15.247 18.050 18.726 1.00 0.00 C ATOM 388 ND1 HIS A 25 -16.598 17.755 18.762 1.00 0.00 N ATOM 389 CD2 HIS A 25 -14.622 17.030 19.396 1.00 0.00 C ATOM 390 CE1 HIS A 25 -16.742 16.597 19.435 1.00 0.00 C ATOM 391 NE2 HIS A 25 -15.567 16.113 19.843 1.00 0.00 N ATOM 0 H HIS A 25 -12.800 17.895 16.415 1.00 0.00 H new ATOM 0 HA HIS A 25 -15.604 18.889 16.106 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -13.731 19.530 18.449 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -15.365 20.128 18.243 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -17.348 18.313 18.354 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -13.556 16.951 19.553 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -17.692 16.119 19.622 1.00 0.00 H new ATOM 399 N PHE A 26 -14.781 21.162 15.389 1.00 0.00 N ATOM 400 CA PHE A 26 -14.260 22.405 14.741 1.00 0.00 C ATOM 401 C PHE A 26 -14.835 23.626 15.477 1.00 0.00 C ATOM 402 O PHE A 26 -16.040 23.877 15.437 1.00 0.00 O ATOM 403 CB PHE A 26 -14.702 22.433 13.273 1.00 0.00 C ATOM 404 CG PHE A 26 -13.920 21.410 12.483 1.00 0.00 C ATOM 405 CD1 PHE A 26 -14.326 20.069 12.465 1.00 0.00 C ATOM 406 CD2 PHE A 26 -12.787 21.804 11.767 1.00 0.00 C ATOM 407 CE1 PHE A 26 -13.596 19.126 11.731 1.00 0.00 C ATOM 408 CE2 PHE A 26 -12.057 20.863 11.034 1.00 0.00 C ATOM 409 CZ PHE A 26 -12.461 19.524 11.016 1.00 0.00 C ATOM 0 H PHE A 26 -15.798 21.091 15.419 1.00 0.00 H new ATOM 0 HA PHE A 26 -13.171 22.425 14.790 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -15.769 22.223 13.201 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -14.544 23.427 12.855 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -15.202 19.763 13.017 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -12.474 22.838 11.780 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -13.909 18.092 11.717 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -11.181 21.170 10.482 1.00 0.00 H new ATOM 0 HZ PHE A 26 -11.897 18.797 10.450 1.00 0.00 H new ATOM 419 N LYS A 27 -14.005 24.377 16.152 1.00 0.00 N ATOM 420 CA LYS A 27 -14.497 25.575 16.903 1.00 0.00 C ATOM 421 C LYS A 27 -13.743 26.831 16.436 1.00 0.00 C ATOM 422 O LYS A 27 -12.527 26.816 16.266 1.00 0.00 O ATOM 423 CB LYS A 27 -14.255 25.355 18.403 1.00 0.00 C ATOM 424 CG LYS A 27 -15.370 26.021 19.212 1.00 0.00 C ATOM 425 CD LYS A 27 -14.752 26.882 20.319 1.00 0.00 C ATOM 426 CE LYS A 27 -15.718 28.007 20.690 1.00 0.00 C ATOM 427 NZ LYS A 27 -15.479 29.161 19.786 1.00 0.00 N ATOM 0 H LYS A 27 -13.000 24.213 16.217 1.00 0.00 H new ATOM 0 HA LYS A 27 -15.562 25.713 16.716 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -14.222 24.288 18.622 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.288 25.769 18.689 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -15.989 26.637 18.560 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -16.021 25.263 19.647 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.538 26.269 21.194 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.803 27.299 19.982 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -16.749 27.664 20.600 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -15.570 28.304 21.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -15.458 30.039 20.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.568 29.038 19.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -16.243 29.215 19.083 1.00 0.00 H new ATOM 441 N VAL A 28 -14.434 27.919 16.236 1.00 0.00 N ATOM 442 CA VAL A 28 -13.752 29.176 15.790 1.00 0.00 C ATOM 443 C VAL A 28 -13.216 29.936 17.013 1.00 0.00 C ATOM 444 O VAL A 28 -13.701 29.772 18.136 1.00 0.00 O ATOM 445 CB VAL A 28 -14.750 30.066 15.034 1.00 0.00 C ATOM 446 CG1 VAL A 28 -14.030 31.304 14.494 1.00 0.00 C ATOM 447 CG2 VAL A 28 -15.347 29.289 13.860 1.00 0.00 C ATOM 0 H VAL A 28 -15.443 27.996 16.361 1.00 0.00 H new ATOM 0 HA VAL A 28 -12.923 28.918 15.131 1.00 0.00 H new ATOM 0 HB VAL A 28 -15.543 30.369 15.717 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -14.741 31.933 13.958 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -13.601 31.866 15.323 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -13.235 30.995 13.815 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -16.054 29.923 13.326 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -14.550 28.984 13.182 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -15.863 28.405 14.234 1.00 0.00 H new ATOM 457 N LEU A 29 -12.227 30.767 16.822 1.00 0.00 N ATOM 458 CA LEU A 29 -11.660 31.545 17.969 1.00 0.00 C ATOM 459 C LEU A 29 -12.233 32.966 17.959 1.00 0.00 C ATOM 460 O LEU A 29 -12.525 33.547 19.002 1.00 0.00 O ATOM 461 CB LEU A 29 -10.131 31.614 17.843 1.00 0.00 C ATOM 462 CG LEU A 29 -9.594 30.293 17.292 1.00 0.00 C ATOM 463 CD1 LEU A 29 -8.111 30.438 16.970 1.00 0.00 C ATOM 464 CD2 LEU A 29 -9.765 29.193 18.335 1.00 0.00 C ATOM 0 H LEU A 29 -11.784 30.943 15.920 1.00 0.00 H new ATOM 0 HA LEU A 29 -11.926 31.050 18.903 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.848 32.435 17.184 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -9.686 31.820 18.817 1.00 0.00 H new ATOM 0 HG LEU A 29 -10.147 30.035 16.389 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.730 29.495 16.577 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.975 31.222 16.225 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.566 30.700 17.877 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -9.381 28.253 17.939 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.214 29.458 19.237 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -10.822 29.081 18.575 1.00 0.00 H new ATOM 476 N ARG A 30 -12.393 33.533 16.795 1.00 0.00 N ATOM 477 CA ARG A 30 -12.942 34.920 16.696 1.00 0.00 C ATOM 478 C ARG A 30 -14.370 34.890 16.127 1.00 0.00 C ATOM 479 O ARG A 30 -14.678 34.105 15.237 1.00 0.00 O ATOM 480 CB ARG A 30 -12.045 35.744 15.772 1.00 0.00 C ATOM 481 CG ARG A 30 -10.816 36.217 16.548 1.00 0.00 C ATOM 482 CD ARG A 30 -9.738 36.680 15.568 1.00 0.00 C ATOM 483 NE ARG A 30 -10.104 38.026 15.028 1.00 0.00 N ATOM 484 CZ ARG A 30 -9.221 38.743 14.422 1.00 0.00 C ATOM 485 NH1 ARG A 30 -8.344 39.391 15.106 1.00 0.00 N ATOM 486 NH2 ARG A 30 -9.226 38.808 13.136 1.00 0.00 N ATOM 0 H ARG A 30 -12.167 33.095 15.902 1.00 0.00 H new ATOM 0 HA ARG A 30 -12.970 35.367 17.690 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -11.739 35.145 14.915 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -12.595 36.601 15.382 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.088 37.033 17.217 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.433 35.408 17.170 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.771 36.727 16.069 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.640 35.963 14.753 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.055 38.377 15.140 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.349 39.336 16.125 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.644 39.959 14.629 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.926 38.294 12.602 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.529 39.374 12.651 1.00 0.00 H new ATOM 631 N PHE A 40 -12.422 33.372 10.376 1.00 0.00 N ATOM 632 CA PHE A 40 -11.241 33.658 11.269 1.00 0.00 C ATOM 633 C PHE A 40 -10.617 32.343 11.753 1.00 0.00 C ATOM 634 O PHE A 40 -11.325 31.418 12.134 1.00 0.00 O ATOM 635 CB PHE A 40 -11.646 34.486 12.499 1.00 0.00 C ATOM 636 CG PHE A 40 -12.224 35.821 12.094 1.00 0.00 C ATOM 637 CD1 PHE A 40 -11.621 36.589 11.088 1.00 0.00 C ATOM 638 CD2 PHE A 40 -13.362 36.298 12.749 1.00 0.00 C ATOM 639 CE1 PHE A 40 -12.159 37.833 10.742 1.00 0.00 C ATOM 640 CE2 PHE A 40 -13.904 37.540 12.400 1.00 0.00 C ATOM 641 CZ PHE A 40 -13.301 38.309 11.397 1.00 0.00 C ATOM 0 HA PHE A 40 -10.522 34.229 10.681 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -12.378 33.933 13.087 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -10.777 34.642 13.138 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.742 36.220 10.581 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -13.824 35.707 13.526 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.693 38.426 9.969 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -14.787 37.905 12.904 1.00 0.00 H new ATOM 0 HZ PHE A 40 -13.717 39.269 11.129 1.00 0.00 H new ATOM 651 N ILE A 41 -9.298 32.264 11.748 1.00 0.00 N ATOM 652 CA ILE A 41 -8.565 31.023 12.207 1.00 0.00 C ATOM 653 C ILE A 41 -9.482 30.105 13.028 1.00 0.00 C ATOM 654 O ILE A 41 -9.818 30.396 14.177 1.00 0.00 O ATOM 655 CB ILE A 41 -7.359 31.429 13.068 1.00 0.00 C ATOM 656 CG1 ILE A 41 -6.341 32.185 12.214 1.00 0.00 C ATOM 657 CG2 ILE A 41 -6.691 30.177 13.646 1.00 0.00 C ATOM 658 CD1 ILE A 41 -5.319 32.861 13.129 1.00 0.00 C ATOM 0 H ILE A 41 -8.687 33.020 11.440 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.233 30.479 11.323 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.705 32.070 13.879 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.839 31.498 11.533 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.846 32.931 11.600 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.836 30.469 14.256 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.408 29.634 14.262 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.353 29.536 12.832 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.591 33.402 12.524 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.830 33.559 13.792 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.807 32.105 13.724 1.00 0.00 H new ATOM 670 N THR A 42 -9.884 29.003 12.459 1.00 0.00 N ATOM 671 CA THR A 42 -10.776 28.061 13.194 1.00 0.00 C ATOM 672 C THR A 42 -9.922 26.975 13.854 1.00 0.00 C ATOM 673 O THR A 42 -8.999 26.430 13.246 1.00 0.00 O ATOM 674 CB THR A 42 -11.776 27.432 12.210 1.00 0.00 C ATOM 675 OG1 THR A 42 -12.891 28.296 12.054 1.00 0.00 O ATOM 676 CG2 THR A 42 -12.279 26.090 12.742 1.00 0.00 C ATOM 0 H THR A 42 -9.633 28.713 11.514 1.00 0.00 H new ATOM 0 HA THR A 42 -11.331 28.595 13.965 1.00 0.00 H new ATOM 0 HB THR A 42 -11.271 27.280 11.256 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.732 28.903 11.301 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.986 25.659 12.033 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.436 25.411 12.872 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.774 26.241 13.701 1.00 0.00 H new ATOM 684 N ALA A 43 -10.208 26.652 15.083 1.00 0.00 N ATOM 685 CA ALA A 43 -9.422 25.604 15.795 1.00 0.00 C ATOM 686 C ALA A 43 -10.130 24.248 15.645 1.00 0.00 C ATOM 687 O ALA A 43 -11.316 24.109 15.946 1.00 0.00 O ATOM 688 CB ALA A 43 -9.322 25.990 17.273 1.00 0.00 C ATOM 0 H ALA A 43 -10.959 27.072 15.631 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.421 25.525 15.371 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.749 25.233 17.809 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.823 26.955 17.364 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.323 26.058 17.700 1.00 0.00 H new ATOM 694 N CYS A 44 -9.436 23.245 15.179 1.00 0.00 N ATOM 695 CA CYS A 44 -10.080 21.908 15.006 1.00 0.00 C ATOM 696 C CYS A 44 -9.335 20.846 15.826 1.00 0.00 C ATOM 697 O CYS A 44 -8.119 20.914 16.019 1.00 0.00 O ATOM 698 CB CYS A 44 -10.078 21.523 13.522 1.00 0.00 C ATOM 699 SG CYS A 44 -8.391 21.584 12.863 1.00 0.00 S ATOM 0 H CYS A 44 -8.453 23.292 14.911 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.109 21.962 15.362 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -10.489 20.521 13.398 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -10.720 22.202 12.961 1.00 0.00 H new ATOM 0 HG CYS A 44 -7.774 22.621 13.346 1.00 0.00 H new ATOM 705 N ILE A 45 -10.050 19.868 16.314 1.00 0.00 N ATOM 706 CA ILE A 45 -9.409 18.791 17.129 1.00 0.00 C ATOM 707 C ILE A 45 -9.927 17.415 16.677 1.00 0.00 C ATOM 708 O ILE A 45 -11.089 17.266 16.294 1.00 0.00 O ATOM 709 CB ILE A 45 -9.738 19.015 18.612 1.00 0.00 C ATOM 710 CG1 ILE A 45 -8.941 18.030 19.467 1.00 0.00 C ATOM 711 CG2 ILE A 45 -11.233 18.796 18.860 1.00 0.00 C ATOM 712 CD1 ILE A 45 -8.939 18.504 20.919 1.00 0.00 C ATOM 0 H ILE A 45 -11.057 19.767 16.183 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.328 18.822 16.989 1.00 0.00 H new ATOM 0 HB ILE A 45 -9.474 20.038 18.880 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -9.380 17.034 19.399 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.919 17.954 19.096 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -11.454 18.958 19.915 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -11.809 19.498 18.257 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.502 17.776 18.585 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.371 17.802 21.530 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.481 19.491 20.979 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.964 18.557 21.286 1.00 0.00 H new ATOM 724 N VAL A 46 -9.087 16.413 16.717 1.00 0.00 N ATOM 725 CA VAL A 46 -9.519 15.043 16.295 1.00 0.00 C ATOM 726 C VAL A 46 -8.900 13.989 17.231 1.00 0.00 C ATOM 727 O VAL A 46 -7.748 13.582 17.072 1.00 0.00 O ATOM 728 CB VAL A 46 -9.082 14.780 14.844 1.00 0.00 C ATOM 729 CG1 VAL A 46 -9.910 15.647 13.896 1.00 0.00 C ATOM 730 CG2 VAL A 46 -7.598 15.122 14.667 1.00 0.00 C ATOM 0 H VAL A 46 -8.117 16.483 17.024 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.605 14.977 16.355 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.238 13.726 14.616 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.600 15.460 12.868 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.966 15.401 14.007 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.755 16.699 14.136 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -7.301 14.931 13.636 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.436 16.174 14.903 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.000 14.504 15.337 1.00 0.00 H new ATOM 740 N GLY A 47 -9.647 13.542 18.209 1.00 0.00 N ATOM 741 CA GLY A 47 -9.118 12.511 19.164 1.00 0.00 C ATOM 742 C GLY A 47 -8.015 13.113 20.038 1.00 0.00 C ATOM 743 O GLY A 47 -8.287 13.738 21.061 1.00 0.00 O ATOM 0 H GLY A 47 -10.604 13.845 18.391 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.927 12.139 19.793 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.727 11.658 18.609 1.00 0.00 H new ATOM 747 N SER A 48 -6.777 12.931 19.660 1.00 0.00 N ATOM 748 CA SER A 48 -5.646 13.488 20.473 1.00 0.00 C ATOM 749 C SER A 48 -4.817 14.486 19.646 1.00 0.00 C ATOM 750 O SER A 48 -3.711 14.858 20.033 1.00 0.00 O ATOM 751 CB SER A 48 -4.740 12.343 20.936 1.00 0.00 C ATOM 752 OG SER A 48 -5.542 11.241 21.352 1.00 0.00 O ATOM 0 H SER A 48 -6.496 12.421 18.823 1.00 0.00 H new ATOM 0 HA SER A 48 -6.063 14.009 21.335 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.077 12.039 20.126 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.106 12.676 21.758 1.00 0.00 H new ATOM 0 HG SER A 48 -4.963 10.508 21.647 1.00 0.00 H new ATOM 758 N ILE A 49 -5.321 14.932 18.523 1.00 0.00 N ATOM 759 CA ILE A 49 -4.552 15.907 17.687 1.00 0.00 C ATOM 760 C ILE A 49 -5.357 17.204 17.536 1.00 0.00 C ATOM 761 O ILE A 49 -6.557 17.181 17.266 1.00 0.00 O ATOM 762 CB ILE A 49 -4.293 15.299 16.302 1.00 0.00 C ATOM 763 CG1 ILE A 49 -3.406 14.059 16.440 1.00 0.00 C ATOM 764 CG2 ILE A 49 -3.583 16.323 15.412 1.00 0.00 C ATOM 765 CD1 ILE A 49 -3.310 13.348 15.088 1.00 0.00 C ATOM 0 H ILE A 49 -6.231 14.664 18.148 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.601 16.128 18.171 1.00 0.00 H new ATOM 0 HB ILE A 49 -5.247 15.021 15.853 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.412 14.346 16.784 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.820 13.384 17.189 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.401 15.887 14.430 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.209 17.209 15.306 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.633 16.603 15.866 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.679 12.465 15.185 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.306 13.048 14.763 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.877 14.024 14.351 1.00 0.00 H new ATOM 777 N VAL A 50 -4.723 18.334 17.700 1.00 0.00 N ATOM 778 CA VAL A 50 -5.454 19.633 17.560 1.00 0.00 C ATOM 779 C VAL A 50 -4.682 20.554 16.610 1.00 0.00 C ATOM 780 O VAL A 50 -3.451 20.580 16.604 1.00 0.00 O ATOM 781 CB VAL A 50 -5.596 20.325 18.924 1.00 0.00 C ATOM 782 CG1 VAL A 50 -6.928 21.073 18.976 1.00 0.00 C ATOM 783 CG2 VAL A 50 -5.565 19.295 20.056 1.00 0.00 C ATOM 0 H VAL A 50 -3.732 18.417 17.925 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.448 19.430 17.161 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.765 21.019 19.049 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.031 21.565 19.943 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.957 21.821 18.183 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.747 20.367 18.839 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.667 19.804 21.014 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.388 18.591 19.930 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.618 18.755 20.031 1.00 0.00 H new ATOM 793 N THR A 51 -5.382 21.307 15.813 1.00 0.00 N ATOM 794 CA THR A 51 -4.704 22.235 14.849 1.00 0.00 C ATOM 795 C THR A 51 -5.623 23.424 14.556 1.00 0.00 C ATOM 796 O THR A 51 -6.830 23.266 14.399 1.00 0.00 O ATOM 797 CB THR A 51 -4.406 21.495 13.536 1.00 0.00 C ATOM 798 OG1 THR A 51 -5.227 20.341 13.439 1.00 0.00 O ATOM 799 CG2 THR A 51 -2.939 21.070 13.502 1.00 0.00 C ATOM 0 H THR A 51 -6.401 21.325 15.782 1.00 0.00 H new ATOM 0 HA THR A 51 -3.770 22.587 15.288 1.00 0.00 H new ATOM 0 HB THR A 51 -4.612 22.162 12.699 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.035 19.873 12.600 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.734 20.546 12.569 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.303 21.952 13.570 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.732 20.408 14.343 1.00 0.00 H new ATOM 807 N GLU A 52 -5.088 24.611 14.478 1.00 0.00 N ATOM 808 CA GLU A 52 -5.959 25.793 14.193 1.00 0.00 C ATOM 809 C GLU A 52 -5.580 26.419 12.846 1.00 0.00 C ATOM 810 O GLU A 52 -4.431 26.364 12.407 1.00 0.00 O ATOM 811 CB GLU A 52 -5.805 26.837 15.304 1.00 0.00 C ATOM 812 CG GLU A 52 -5.876 26.154 16.679 1.00 0.00 C ATOM 813 CD GLU A 52 -5.656 27.187 17.784 1.00 0.00 C ATOM 814 OE1 GLU A 52 -4.510 27.432 18.114 1.00 0.00 O ATOM 815 OE2 GLU A 52 -6.637 27.708 18.282 1.00 0.00 O ATOM 0 H GLU A 52 -4.096 24.816 14.597 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.996 25.459 14.152 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.854 27.358 15.196 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.591 27.588 15.221 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.846 25.673 16.806 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.121 25.371 16.745 1.00 0.00 H new ATOM 822 N GLY A 53 -6.534 27.008 12.181 1.00 0.00 N ATOM 823 CA GLY A 53 -6.262 27.642 10.854 1.00 0.00 C ATOM 824 C GLY A 53 -7.565 27.726 10.061 1.00 0.00 C ATOM 825 O GLY A 53 -8.527 27.024 10.357 1.00 0.00 O ATOM 0 H GLY A 53 -7.500 27.080 12.500 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.842 28.638 10.993 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.524 27.059 10.303 1.00 0.00 H new ATOM 829 N GLU A 54 -7.623 28.579 9.070 1.00 0.00 N ATOM 830 CA GLU A 54 -8.876 28.715 8.263 1.00 0.00 C ATOM 831 C GLU A 54 -8.732 29.888 7.269 1.00 0.00 C ATOM 832 O GLU A 54 -7.998 29.794 6.284 1.00 0.00 O ATOM 833 CB GLU A 54 -10.048 28.957 9.223 1.00 0.00 C ATOM 834 CG GLU A 54 -11.360 29.110 8.449 1.00 0.00 C ATOM 835 CD GLU A 54 -12.161 30.263 9.049 1.00 0.00 C ATOM 836 OE1 GLU A 54 -12.761 30.058 10.089 1.00 0.00 O ATOM 837 OE2 GLU A 54 -12.162 31.324 8.453 1.00 0.00 O ATOM 0 H GLU A 54 -6.857 29.188 8.784 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.059 27.806 7.690 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.128 28.126 9.923 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.862 29.854 9.813 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.155 29.302 7.396 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.936 28.186 8.498 1.00 0.00 H new ATOM 844 N GLY A 55 -9.411 30.981 7.505 1.00 0.00 N ATOM 845 CA GLY A 55 -9.318 32.151 6.582 1.00 0.00 C ATOM 846 C GLY A 55 -10.024 33.358 7.210 1.00 0.00 C ATOM 847 O GLY A 55 -10.194 33.436 8.426 1.00 0.00 O ATOM 0 H GLY A 55 -10.031 31.114 8.304 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.273 32.390 6.385 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -9.775 31.908 5.623 1.00 0.00 H new ATOM 943 N LYS A 62 -16.108 26.806 8.375 1.00 0.00 N ATOM 944 CA LYS A 62 -16.397 25.343 8.528 1.00 0.00 C ATOM 945 C LYS A 62 -15.787 24.566 7.349 1.00 0.00 C ATOM 946 O LYS A 62 -15.519 23.372 7.452 1.00 0.00 O ATOM 947 CB LYS A 62 -17.915 25.118 8.568 1.00 0.00 C ATOM 948 CG LYS A 62 -18.346 24.756 9.995 1.00 0.00 C ATOM 949 CD LYS A 62 -19.186 23.471 9.972 1.00 0.00 C ATOM 950 CE LYS A 62 -19.031 22.725 11.303 1.00 0.00 C ATOM 951 NZ LYS A 62 -18.077 21.588 11.124 1.00 0.00 N ATOM 0 HA LYS A 62 -15.956 24.985 9.458 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -18.435 26.018 8.238 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -18.192 24.319 7.880 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -17.468 24.617 10.626 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -18.924 25.572 10.429 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -20.235 23.714 9.801 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -18.868 22.833 9.148 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -18.665 23.404 12.073 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -19.999 22.353 11.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -17.746 21.262 12.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -18.557 20.806 10.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -17.263 21.903 10.559 1.00 0.00 H new ATOM 965 N LYS A 63 -15.554 25.225 6.240 1.00 0.00 N ATOM 966 CA LYS A 63 -14.948 24.536 5.062 1.00 0.00 C ATOM 967 C LYS A 63 -13.414 24.605 5.152 1.00 0.00 C ATOM 968 O LYS A 63 -12.743 23.586 5.242 1.00 0.00 O ATOM 969 CB LYS A 63 -15.409 25.224 3.769 1.00 0.00 C ATOM 970 CG LYS A 63 -16.705 24.585 3.267 1.00 0.00 C ATOM 971 CD LYS A 63 -17.064 25.195 1.907 1.00 0.00 C ATOM 972 CE LYS A 63 -18.336 24.547 1.358 1.00 0.00 C ATOM 973 NZ LYS A 63 -19.514 25.394 1.711 1.00 0.00 N ATOM 0 H LYS A 63 -15.759 26.215 6.101 1.00 0.00 H new ATOM 0 HA LYS A 63 -15.266 23.493 5.056 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -15.565 26.288 3.949 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.634 25.140 3.007 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -16.583 23.506 3.176 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -17.511 24.755 3.981 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -17.210 26.270 2.009 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.242 25.050 1.206 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -18.264 24.437 0.276 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -18.456 23.546 1.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -20.381 24.956 1.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -19.585 25.477 2.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -19.398 26.340 1.295 1.00 0.00 H new ATOM 987 N ARG A 64 -12.858 25.794 5.110 1.00 0.00 N ATOM 988 CA ARG A 64 -11.366 25.954 5.159 1.00 0.00 C ATOM 989 C ARG A 64 -10.740 25.191 6.336 1.00 0.00 C ATOM 990 O ARG A 64 -9.865 24.346 6.143 1.00 0.00 O ATOM 991 CB ARG A 64 -11.014 27.443 5.267 1.00 0.00 C ATOM 992 CG ARG A 64 -9.521 27.639 4.965 1.00 0.00 C ATOM 993 CD ARG A 64 -9.116 26.763 3.776 1.00 0.00 C ATOM 994 NE ARG A 64 -8.006 27.421 3.023 1.00 0.00 N ATOM 995 CZ ARG A 64 -8.185 27.794 1.798 1.00 0.00 C ATOM 996 NH1 ARG A 64 -8.765 27.003 0.960 1.00 0.00 N ATOM 997 NH2 ARG A 64 -7.794 28.965 1.423 1.00 0.00 N ATOM 0 H ARG A 64 -13.378 26.669 5.043 1.00 0.00 H new ATOM 0 HA ARG A 64 -10.958 25.534 4.240 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.617 28.022 4.567 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -11.245 27.811 6.267 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.320 28.687 4.742 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.926 27.379 5.840 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.799 25.781 4.126 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.971 26.606 3.119 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.105 27.576 3.476 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.083 26.083 1.264 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.906 27.298 -0.006 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -7.346 29.592 2.092 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -7.933 29.264 0.458 1.00 0.00 H new ATOM 1011 N ALA A 65 -11.147 25.469 7.548 1.00 0.00 N ATOM 1012 CA ALA A 65 -10.546 24.741 8.712 1.00 0.00 C ATOM 1013 C ALA A 65 -10.672 23.219 8.477 1.00 0.00 C ATOM 1014 O ALA A 65 -9.759 22.441 8.771 1.00 0.00 O ATOM 1015 CB ALA A 65 -11.273 25.139 10.000 1.00 0.00 C ATOM 0 H ALA A 65 -11.860 26.159 7.783 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.493 25.004 8.809 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.834 24.608 10.845 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.175 26.213 10.156 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -12.328 24.879 9.917 1.00 0.00 H new ATOM 1021 N ALA A 66 -11.782 22.789 7.926 1.00 0.00 N ATOM 1022 CA ALA A 66 -11.978 21.336 7.639 1.00 0.00 C ATOM 1023 C ALA A 66 -11.039 20.905 6.500 1.00 0.00 C ATOM 1024 O ALA A 66 -10.447 19.831 6.549 1.00 0.00 O ATOM 1025 CB ALA A 66 -13.432 21.095 7.231 1.00 0.00 C ATOM 0 H ALA A 66 -12.564 23.388 7.662 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.750 20.752 8.530 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -13.580 20.036 7.020 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -14.093 21.399 8.043 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.661 21.678 6.339 1.00 0.00 H new ATOM 1031 N GLU A 67 -10.885 21.726 5.485 1.00 0.00 N ATOM 1032 CA GLU A 67 -9.971 21.380 4.348 1.00 0.00 C ATOM 1033 C GLU A 67 -8.621 20.922 4.911 1.00 0.00 C ATOM 1034 O GLU A 67 -8.079 19.886 4.523 1.00 0.00 O ATOM 1035 CB GLU A 67 -9.748 22.621 3.471 1.00 0.00 C ATOM 1036 CG GLU A 67 -10.973 22.876 2.577 1.00 0.00 C ATOM 1037 CD GLU A 67 -10.995 24.342 2.124 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -9.992 24.804 1.596 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -12.013 24.984 2.313 1.00 0.00 O ATOM 0 H GLU A 67 -11.357 22.626 5.396 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.418 20.585 3.752 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.563 23.491 4.102 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.862 22.482 2.852 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.943 22.219 1.708 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.887 22.641 3.123 1.00 0.00 H new ATOM 1046 N LYS A 68 -8.079 21.679 5.829 1.00 0.00 N ATOM 1047 CA LYS A 68 -6.766 21.309 6.443 1.00 0.00 C ATOM 1048 C LYS A 68 -6.902 19.986 7.216 1.00 0.00 C ATOM 1049 O LYS A 68 -6.072 19.090 7.080 1.00 0.00 O ATOM 1050 CB LYS A 68 -6.318 22.427 7.393 1.00 0.00 C ATOM 1051 CG LYS A 68 -4.822 22.695 7.203 1.00 0.00 C ATOM 1052 CD LYS A 68 -4.020 21.524 7.780 1.00 0.00 C ATOM 1053 CE LYS A 68 -2.524 21.790 7.621 1.00 0.00 C ATOM 1054 NZ LYS A 68 -1.764 20.637 8.180 1.00 0.00 N ATOM 0 H LYS A 68 -8.491 22.543 6.183 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.021 21.181 5.657 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.888 23.335 7.196 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.518 22.142 8.426 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.595 22.820 6.144 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.541 23.623 7.701 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.264 21.389 8.834 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.290 20.600 7.269 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.276 21.930 6.569 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.248 22.709 8.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.772 20.913 8.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.182 20.353 9.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.806 19.838 7.515 1.00 0.00 H new ATOM 1068 N MET A 69 -7.930 19.839 8.018 1.00 0.00 N ATOM 1069 CA MET A 69 -8.107 18.561 8.786 1.00 0.00 C ATOM 1070 C MET A 69 -8.304 17.391 7.806 1.00 0.00 C ATOM 1071 O MET A 69 -7.546 16.422 7.810 1.00 0.00 O ATOM 1072 CB MET A 69 -9.334 18.679 9.697 1.00 0.00 C ATOM 1073 CG MET A 69 -8.890 19.053 11.112 1.00 0.00 C ATOM 1074 SD MET A 69 -8.210 17.594 11.937 1.00 0.00 S ATOM 1075 CE MET A 69 -7.773 18.401 13.497 1.00 0.00 C ATOM 0 H MET A 69 -8.651 20.543 8.175 1.00 0.00 H new ATOM 0 HA MET A 69 -7.220 18.377 9.392 1.00 0.00 H new ATOM 0 HB2 MET A 69 -10.017 19.434 9.308 1.00 0.00 H new ATOM 0 HB3 MET A 69 -9.879 17.735 9.714 1.00 0.00 H new ATOM 0 HG2 MET A 69 -8.141 19.844 11.072 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.735 19.443 11.679 1.00 0.00 H new ATOM 0 HE1 MET A 69 -7.141 17.736 14.086 1.00 0.00 H new ATOM 0 HE2 MET A 69 -7.234 19.325 13.290 1.00 0.00 H new ATOM 0 HE3 MET A 69 -8.681 18.628 14.056 1.00 0.00 H new ATOM 1085 N LEU A 70 -9.312 17.467 6.973 1.00 0.00 N ATOM 1086 CA LEU A 70 -9.587 16.381 5.981 1.00 0.00 C ATOM 1087 C LEU A 70 -8.302 15.979 5.241 1.00 0.00 C ATOM 1088 O LEU A 70 -7.943 14.804 5.194 1.00 0.00 O ATOM 1089 CB LEU A 70 -10.615 16.899 4.967 1.00 0.00 C ATOM 1090 CG LEU A 70 -12.045 16.668 5.475 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -12.465 15.230 5.184 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -12.129 16.918 6.982 1.00 0.00 C ATOM 0 H LEU A 70 -9.967 18.248 6.938 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.969 15.505 6.505 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.454 17.962 4.790 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -10.477 16.393 4.012 1.00 0.00 H new ATOM 0 HG LEU A 70 -12.710 17.363 4.962 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.480 15.067 5.545 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.429 15.051 4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.786 14.543 5.689 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -13.151 16.749 7.322 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.456 16.236 7.502 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -11.841 17.947 7.197 1.00 0.00 H new ATOM 1104 N VAL A 71 -7.603 16.923 4.659 1.00 0.00 N ATOM 1105 CA VAL A 71 -6.346 16.576 3.920 1.00 0.00 C ATOM 1106 C VAL A 71 -5.302 15.985 4.888 1.00 0.00 C ATOM 1107 O VAL A 71 -4.495 15.141 4.504 1.00 0.00 O ATOM 1108 CB VAL A 71 -5.783 17.829 3.227 1.00 0.00 C ATOM 1109 CG1 VAL A 71 -5.166 18.778 4.256 1.00 0.00 C ATOM 1110 CG2 VAL A 71 -4.704 17.414 2.228 1.00 0.00 C ATOM 0 H VAL A 71 -7.846 17.914 4.663 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.577 15.827 3.162 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.598 18.339 2.713 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.773 19.659 3.749 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -5.928 19.082 4.973 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.357 18.270 4.780 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.304 18.300 1.736 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.901 16.897 2.753 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -5.136 16.748 1.481 1.00 0.00 H new ATOM 1120 N GLU A 72 -5.307 16.401 6.130 1.00 0.00 N ATOM 1121 CA GLU A 72 -4.319 15.851 7.110 1.00 0.00 C ATOM 1122 C GLU A 72 -4.691 14.406 7.476 1.00 0.00 C ATOM 1123 O GLU A 72 -3.878 13.490 7.353 1.00 0.00 O ATOM 1124 CB GLU A 72 -4.315 16.719 8.376 1.00 0.00 C ATOM 1125 CG GLU A 72 -3.157 17.723 8.299 1.00 0.00 C ATOM 1126 CD GLU A 72 -2.781 18.209 9.701 1.00 0.00 C ATOM 1127 OE1 GLU A 72 -2.290 17.413 10.474 1.00 0.00 O ATOM 1128 OE2 GLU A 72 -2.963 19.391 9.961 1.00 0.00 O ATOM 0 H GLU A 72 -5.951 17.096 6.508 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.326 15.859 6.660 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.264 17.247 8.472 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.209 16.091 9.261 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.293 17.257 7.825 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.443 18.571 7.677 1.00 0.00 H new ATOM 1135 N LEU A 73 -5.903 14.178 7.921 1.00 0.00 N ATOM 1136 CA LEU A 73 -6.314 12.783 8.297 1.00 0.00 C ATOM 1137 C LEU A 73 -6.432 11.888 7.050 1.00 0.00 C ATOM 1138 O LEU A 73 -6.225 10.681 7.127 1.00 0.00 O ATOM 1139 CB LEU A 73 -7.652 12.805 9.048 1.00 0.00 C ATOM 1140 CG LEU A 73 -8.718 13.533 8.227 1.00 0.00 C ATOM 1141 CD1 LEU A 73 -9.750 12.530 7.717 1.00 0.00 C ATOM 1142 CD2 LEU A 73 -9.416 14.551 9.119 1.00 0.00 C ATOM 0 H LEU A 73 -6.623 14.890 8.041 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.544 12.370 8.949 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.977 11.785 9.253 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.527 13.299 10.011 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.248 14.032 7.380 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.507 13.053 7.133 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.257 11.787 7.090 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.224 12.033 8.564 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.178 15.076 8.544 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.884 14.038 9.959 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -8.686 15.268 9.493 1.00 0.00 H new ATOM 1154 N GLN A 74 -6.755 12.445 5.910 1.00 0.00 N ATOM 1155 CA GLN A 74 -6.878 11.608 4.671 1.00 0.00 C ATOM 1156 C GLN A 74 -5.497 11.373 4.032 1.00 0.00 C ATOM 1157 O GLN A 74 -5.391 10.788 2.954 1.00 0.00 O ATOM 1158 CB GLN A 74 -7.775 12.332 3.663 1.00 0.00 C ATOM 1159 CG GLN A 74 -9.225 12.328 4.163 1.00 0.00 C ATOM 1160 CD GLN A 74 -9.918 11.023 3.767 1.00 0.00 C ATOM 1161 OE1 GLN A 74 -10.440 10.313 4.615 1.00 0.00 O ATOM 1162 NE2 GLN A 74 -9.956 10.664 2.520 1.00 0.00 N ATOM 0 H GLN A 74 -6.939 13.440 5.781 1.00 0.00 H new ATOM 0 HA GLN A 74 -7.309 10.645 4.943 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -7.431 13.357 3.526 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -7.714 11.843 2.691 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.244 12.444 5.247 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -9.764 13.177 3.742 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -9.523 11.251 1.807 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -10.419 9.795 2.253 1.00 0.00 H new ATOM 1171 N LYS A 75 -4.442 11.823 4.660 1.00 0.00 N ATOM 1172 CA LYS A 75 -3.081 11.634 4.076 1.00 0.00 C ATOM 1173 C LYS A 75 -2.156 10.909 5.065 1.00 0.00 C ATOM 1174 O LYS A 75 -0.983 10.669 4.762 1.00 0.00 O ATOM 1175 CB LYS A 75 -2.489 13.008 3.765 1.00 0.00 C ATOM 1176 CG LYS A 75 -1.281 12.850 2.838 1.00 0.00 C ATOM 1177 CD LYS A 75 -0.036 13.440 3.510 1.00 0.00 C ATOM 1178 CE LYS A 75 1.136 12.467 3.356 1.00 0.00 C ATOM 1179 NZ LYS A 75 1.212 11.585 4.560 1.00 0.00 N ATOM 0 H LYS A 75 -4.464 12.314 5.554 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.166 11.032 3.172 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.241 13.641 3.294 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.189 13.503 4.689 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.119 11.796 2.611 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.469 13.355 1.890 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.213 14.401 3.059 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.233 13.625 4.566 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.006 11.864 2.458 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.068 13.019 3.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.018 10.935 4.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.338 12.169 5.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.333 11.036 4.644 1.00 0.00 H new ATOM 1193 N LEU A 76 -2.632 10.579 6.234 1.00 0.00 N ATOM 1194 CA LEU A 76 -1.758 9.893 7.224 1.00 0.00 C ATOM 1195 C LEU A 76 -1.558 8.424 6.822 1.00 0.00 C ATOM 1196 O LEU A 76 -2.526 7.676 6.838 1.00 0.00 O ATOM 1197 CB LEU A 76 -2.402 9.996 8.610 1.00 0.00 C ATOM 1198 CG LEU A 76 -1.922 11.280 9.288 1.00 0.00 C ATOM 1199 CD1 LEU A 76 -2.786 11.576 10.511 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -0.470 11.107 9.729 1.00 0.00 C ATOM 1201 OXT LEU A 76 -0.433 8.075 6.498 1.00 0.00 O ATOM 0 H LEU A 76 -3.587 10.755 6.545 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.779 10.371 7.249 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.488 10.001 8.521 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.136 9.129 9.214 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.999 12.108 8.583 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.438 12.492 10.989 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.824 11.699 10.202 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.713 10.748 11.217 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.125 12.021 10.213 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.399 10.276 10.431 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.152 10.900 8.858 1.00 0.00 H new