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 51 THR OG1 : rot 139:sc= 1.34! USER MOD Set 1.2: A 68 LYS NZ :NH3+ -141:sc= 0.941 (180deg=1.07) USER MOD Single : A 11 SER OG : rot 180:sc= 0.11 USER MOD Single : A 12 GLN : amide:sc= -0.169 K(o=-0.17,f=-1.8) USER MOD Single : A 14 HIS :FLIP no HD1:sc= 0 F(o=-1.7,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.1 K(o=-0.1,f=-1.9!) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 76:sc= -1.01 USER MOD Single : A 25 HIS : no HE2:sc= -1.46! C(o=-1.5!,f=-7.5!) USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00415) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.394 USER MOD Single : A 44 CYS SG : rot -107:sc= -8.31! USER MOD Single : A 48 SER OG : rot 180:sc= -0.0174 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 148:sc= -7.52! (180deg=-11.4!) USER MOD Single : A 74 GLN : amide:sc= -0.0227 X(o=-0.023,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -146:sc= -0.142 (180deg=-3!) USER MOD ----------------------------------------------------------------- ATOM 121 N PRO A 9 -17.132 16.360 3.249 1.00 0.00 N ATOM 122 CA PRO A 9 -16.896 15.136 4.049 1.00 0.00 C ATOM 123 C PRO A 9 -17.244 15.338 5.540 1.00 0.00 C ATOM 124 O PRO A 9 -16.450 15.027 6.428 1.00 0.00 O ATOM 125 CB PRO A 9 -15.400 14.866 3.846 1.00 0.00 C ATOM 126 CG PRO A 9 -14.763 16.213 3.427 1.00 0.00 C ATOM 127 CD PRO A 9 -15.898 17.075 2.850 1.00 0.00 C ATOM 0 HA PRO A 9 -17.526 14.303 3.737 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -14.946 14.491 4.763 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -15.243 14.108 3.079 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -14.299 16.705 4.282 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -13.980 16.057 2.685 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.875 18.087 3.254 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.821 17.163 1.766 1.00 0.00 H new ATOM 135 N ILE A 10 -18.428 15.820 5.831 1.00 0.00 N ATOM 136 CA ILE A 10 -18.837 16.009 7.264 1.00 0.00 C ATOM 137 C ILE A 10 -19.035 14.633 7.903 1.00 0.00 C ATOM 138 O ILE A 10 -18.454 14.324 8.937 1.00 0.00 O ATOM 139 CB ILE A 10 -20.146 16.811 7.337 1.00 0.00 C ATOM 140 CG1 ILE A 10 -19.964 18.164 6.640 1.00 0.00 C ATOM 141 CG2 ILE A 10 -20.524 17.048 8.804 1.00 0.00 C ATOM 142 CD1 ILE A 10 -18.895 18.984 7.369 1.00 0.00 C ATOM 0 H ILE A 10 -19.129 16.091 5.142 1.00 0.00 H new ATOM 0 HA ILE A 10 -18.062 16.559 7.798 1.00 0.00 H new ATOM 0 HB ILE A 10 -20.937 16.248 6.841 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -19.673 18.012 5.601 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -20.908 18.708 6.630 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -21.452 17.617 8.853 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -20.659 16.089 9.304 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -19.730 17.607 9.299 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -18.770 19.945 6.869 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -19.204 19.149 8.401 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -17.949 18.442 7.356 1.00 0.00 H new ATOM 154 N SER A 11 -19.823 13.789 7.296 1.00 0.00 N ATOM 155 CA SER A 11 -20.029 12.424 7.862 1.00 0.00 C ATOM 156 C SER A 11 -18.681 11.701 7.904 1.00 0.00 C ATOM 157 O SER A 11 -18.268 11.194 8.940 1.00 0.00 O ATOM 158 CB SER A 11 -21.006 11.638 6.981 1.00 0.00 C ATOM 159 OG SER A 11 -21.134 12.291 5.719 1.00 0.00 O ATOM 0 H SER A 11 -20.333 13.984 6.434 1.00 0.00 H new ATOM 0 HA SER A 11 -20.443 12.500 8.867 1.00 0.00 H new ATOM 0 HB2 SER A 11 -20.647 10.618 6.841 1.00 0.00 H new ATOM 0 HB3 SER A 11 -21.979 11.570 7.468 1.00 0.00 H new ATOM 0 HG SER A 11 -21.757 11.789 5.153 1.00 0.00 H new ATOM 165 N GLN A 12 -17.987 11.657 6.793 1.00 0.00 N ATOM 166 CA GLN A 12 -16.655 10.968 6.744 1.00 0.00 C ATOM 167 C GLN A 12 -15.724 11.485 7.856 1.00 0.00 C ATOM 168 O GLN A 12 -15.053 10.698 8.523 1.00 0.00 O ATOM 169 CB GLN A 12 -16.016 11.200 5.372 1.00 0.00 C ATOM 170 CG GLN A 12 -16.562 10.163 4.376 1.00 0.00 C ATOM 171 CD GLN A 12 -16.914 10.843 3.049 1.00 0.00 C ATOM 172 OE1 GLN A 12 -16.358 11.880 2.707 1.00 0.00 O ATOM 173 NE2 GLN A 12 -17.816 10.313 2.280 1.00 0.00 N ATOM 0 H GLN A 12 -18.287 12.071 5.910 1.00 0.00 H new ATOM 0 HA GLN A 12 -16.806 9.900 6.903 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -16.235 12.209 5.022 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -14.932 11.116 5.444 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -15.820 9.382 4.208 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.446 9.679 4.791 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -18.282 9.450 2.560 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -18.059 10.760 1.396 1.00 0.00 H new ATOM 182 N VAL A 13 -15.665 12.777 8.086 1.00 0.00 N ATOM 183 CA VAL A 13 -14.773 13.292 9.178 1.00 0.00 C ATOM 184 C VAL A 13 -15.271 12.743 10.521 1.00 0.00 C ATOM 185 O VAL A 13 -14.487 12.323 11.372 1.00 0.00 O ATOM 186 CB VAL A 13 -14.769 14.836 9.176 1.00 0.00 C ATOM 187 CG1 VAL A 13 -15.835 15.390 10.122 1.00 0.00 C ATOM 188 CG2 VAL A 13 -13.402 15.349 9.631 1.00 0.00 C ATOM 0 H VAL A 13 -16.187 13.488 7.574 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.749 12.958 9.014 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.984 15.170 8.161 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.810 16.479 10.101 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -16.819 15.044 9.805 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -15.638 15.042 11.136 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -13.403 16.439 9.628 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -13.195 14.989 10.639 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -12.632 14.985 8.951 1.00 0.00 H new ATOM 198 N HIS A 14 -16.563 12.702 10.705 1.00 0.00 N ATOM 199 CA HIS A 14 -17.125 12.137 11.962 1.00 0.00 C ATOM 200 C HIS A 14 -16.824 10.627 11.984 1.00 0.00 C ATOM 201 O HIS A 14 -16.532 10.044 13.028 1.00 0.00 O ATOM 202 CB HIS A 14 -18.640 12.379 11.984 1.00 0.00 C ATOM 203 CG HIS A 14 -18.925 13.785 12.440 1.00 0.00 C ATOM 204 ND1 HIS A 14 -18.700 15.006 11.852 1.00 0.00 N flip ATOM 205 CD2 HIS A 14 -19.518 14.058 13.661 1.00 0.00 C flip ATOM 206 CE1 HIS A 14 -19.141 16.021 12.696 1.00 0.00 C flip ATOM 207 NE2 HIS A 14 -19.624 15.396 13.771 1.00 0.00 N flip ATOM 0 H HIS A 14 -17.255 13.037 10.035 1.00 0.00 H new ATOM 0 HA HIS A 14 -16.681 12.612 12.837 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -19.058 12.217 10.990 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -19.122 11.665 12.652 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -19.837 13.330 14.392 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -19.101 17.086 12.519 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -20.025 15.874 14.578 1.00 0.00 H new ATOM 215 N GLU A 15 -16.874 10.000 10.834 1.00 0.00 N ATOM 216 CA GLU A 15 -16.584 8.538 10.732 1.00 0.00 C ATOM 217 C GLU A 15 -15.110 8.265 11.066 1.00 0.00 C ATOM 218 O GLU A 15 -14.800 7.526 11.994 1.00 0.00 O ATOM 219 CB GLU A 15 -16.848 8.069 9.295 1.00 0.00 C ATOM 220 CG GLU A 15 -18.350 8.106 8.981 1.00 0.00 C ATOM 221 CD GLU A 15 -18.559 8.054 7.465 1.00 0.00 C ATOM 222 OE1 GLU A 15 -18.115 7.098 6.855 1.00 0.00 O ATOM 223 OE2 GLU A 15 -19.155 8.974 6.937 1.00 0.00 O ATOM 0 H GLU A 15 -17.108 10.448 9.948 1.00 0.00 H new ATOM 0 HA GLU A 15 -17.224 8.004 11.434 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -16.309 8.706 8.594 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -16.468 7.056 9.162 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -18.852 7.264 9.457 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -18.795 9.014 9.389 1.00 0.00 H new ATOM 230 N ILE A 16 -14.194 8.835 10.316 1.00 0.00 N ATOM 231 CA ILE A 16 -12.738 8.590 10.573 1.00 0.00 C ATOM 232 C ILE A 16 -12.370 8.935 12.024 1.00 0.00 C ATOM 233 O ILE A 16 -11.502 8.295 12.621 1.00 0.00 O ATOM 234 CB ILE A 16 -11.895 9.433 9.605 1.00 0.00 C ATOM 235 CG1 ILE A 16 -12.349 10.895 9.639 1.00 0.00 C ATOM 236 CG2 ILE A 16 -12.057 8.896 8.183 1.00 0.00 C ATOM 237 CD1 ILE A 16 -11.200 11.779 10.122 1.00 0.00 C ATOM 0 H ILE A 16 -14.393 9.461 9.535 1.00 0.00 H new ATOM 0 HA ILE A 16 -12.531 7.532 10.412 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.850 9.373 9.910 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -12.670 11.209 8.646 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -13.208 11.004 10.301 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.458 9.495 7.497 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -11.723 7.859 8.145 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -13.106 8.950 7.891 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -11.526 12.819 10.145 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.900 11.470 11.123 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.354 11.679 9.442 1.00 0.00 H new ATOM 249 N GLY A 17 -13.006 9.921 12.604 1.00 0.00 N ATOM 250 CA GLY A 17 -12.689 10.291 14.019 1.00 0.00 C ATOM 251 C GLY A 17 -13.169 9.179 14.963 1.00 0.00 C ATOM 252 O GLY A 17 -12.429 8.721 15.833 1.00 0.00 O ATOM 0 H GLY A 17 -13.730 10.486 12.161 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -11.616 10.441 14.134 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -13.172 11.234 14.276 1.00 0.00 H new ATOM 256 N ILE A 18 -14.394 8.745 14.806 1.00 0.00 N ATOM 257 CA ILE A 18 -14.950 7.666 15.684 1.00 0.00 C ATOM 258 C ILE A 18 -14.427 6.283 15.243 1.00 0.00 C ATOM 259 O ILE A 18 -14.161 5.417 16.073 1.00 0.00 O ATOM 260 CB ILE A 18 -16.484 7.719 15.593 1.00 0.00 C ATOM 261 CG1 ILE A 18 -17.016 8.725 16.614 1.00 0.00 C ATOM 262 CG2 ILE A 18 -17.090 6.345 15.893 1.00 0.00 C ATOM 263 CD1 ILE A 18 -16.545 10.137 16.256 1.00 0.00 C ATOM 0 H ILE A 18 -15.041 9.095 14.100 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.632 7.823 16.715 1.00 0.00 H new ATOM 0 HB ILE A 18 -16.762 8.019 14.583 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -18.105 8.691 16.636 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -16.669 8.460 17.613 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -18.176 6.403 15.824 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -16.719 5.618 15.171 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -16.807 6.034 16.899 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -16.929 10.846 16.989 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -15.455 10.168 16.257 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -16.914 10.404 15.266 1.00 0.00 H new ATOM 275 N LYS A 19 -14.277 6.055 13.960 1.00 0.00 N ATOM 276 CA LYS A 19 -13.776 4.724 13.474 1.00 0.00 C ATOM 277 C LYS A 19 -12.367 4.433 14.021 1.00 0.00 C ATOM 278 O LYS A 19 -11.927 3.284 14.042 1.00 0.00 O ATOM 279 CB LYS A 19 -13.736 4.720 11.939 1.00 0.00 C ATOM 280 CG LYS A 19 -14.760 3.716 11.399 1.00 0.00 C ATOM 281 CD LYS A 19 -14.031 2.557 10.708 1.00 0.00 C ATOM 282 CE LYS A 19 -15.056 1.551 10.174 1.00 0.00 C ATOM 283 NZ LYS A 19 -14.860 1.379 8.701 1.00 0.00 N ATOM 0 H LYS A 19 -14.480 6.733 13.225 1.00 0.00 H new ATOM 0 HA LYS A 19 -14.455 3.950 13.832 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -13.954 5.717 11.557 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -12.737 4.457 11.592 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -15.377 3.337 12.214 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -15.430 4.209 10.695 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.418 2.936 9.890 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -13.357 2.067 11.411 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.941 0.593 10.682 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -16.067 1.901 10.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.555 0.697 8.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -14.990 2.294 8.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -13.899 1.027 8.517 1.00 0.00 H new ATOM 297 N ARG A 20 -11.652 5.439 14.458 1.00 0.00 N ATOM 298 CA ARG A 20 -10.279 5.202 15.001 1.00 0.00 C ATOM 299 C ARG A 20 -10.225 5.618 16.481 1.00 0.00 C ATOM 300 O ARG A 20 -10.250 4.774 17.372 1.00 0.00 O ATOM 301 CB ARG A 20 -9.259 6.014 14.190 1.00 0.00 C ATOM 302 CG ARG A 20 -8.542 5.093 13.198 1.00 0.00 C ATOM 303 CD ARG A 20 -9.221 5.189 11.831 1.00 0.00 C ATOM 304 NE ARG A 20 -8.175 5.346 10.770 1.00 0.00 N ATOM 305 CZ ARG A 20 -7.816 6.526 10.377 1.00 0.00 C ATOM 306 NH1 ARG A 20 -8.512 7.142 9.481 1.00 0.00 N ATOM 307 NH2 ARG A 20 -6.767 7.081 10.884 1.00 0.00 N ATOM 0 H ARG A 20 -11.958 6.412 14.462 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.037 4.142 14.923 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.763 6.819 13.655 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.535 6.479 14.859 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.493 5.376 13.115 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.567 4.064 13.557 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.815 4.294 11.643 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.906 6.036 11.811 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.744 4.520 10.356 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.341 6.699 9.086 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.233 8.072 9.169 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.222 6.590 11.593 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.482 8.011 10.576 1.00 0.00 H new ATOM 321 N ASN A 21 -10.154 6.901 16.751 1.00 0.00 N ATOM 322 CA ASN A 21 -10.098 7.392 18.170 1.00 0.00 C ATOM 323 C ASN A 21 -9.814 8.905 18.184 1.00 0.00 C ATOM 324 O ASN A 21 -8.789 9.357 18.697 1.00 0.00 O ATOM 325 CB ASN A 21 -8.977 6.663 18.932 1.00 0.00 C ATOM 326 CG ASN A 21 -9.213 6.779 20.437 1.00 0.00 C ATOM 327 OD1 ASN A 21 -10.200 7.354 20.880 1.00 0.00 O ATOM 328 ND2 ASN A 21 -8.354 6.259 21.258 1.00 0.00 N ATOM 0 H ASN A 21 -10.132 7.636 16.044 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.055 7.193 18.651 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.949 5.613 18.639 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.009 7.093 18.672 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.503 6.330 22.265 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.530 5.779 20.897 1.00 0.00 H new ATOM 335 N MET A 22 -10.688 9.700 17.625 1.00 0.00 N ATOM 336 CA MET A 22 -10.444 11.175 17.609 1.00 0.00 C ATOM 337 C MET A 22 -11.750 11.939 17.874 1.00 0.00 C ATOM 338 O MET A 22 -12.705 11.861 17.101 1.00 0.00 O ATOM 339 CB MET A 22 -9.878 11.575 16.242 1.00 0.00 C ATOM 340 CG MET A 22 -8.367 11.326 16.220 1.00 0.00 C ATOM 341 SD MET A 22 -7.495 12.911 16.281 1.00 0.00 S ATOM 342 CE MET A 22 -6.061 12.349 17.232 1.00 0.00 C ATOM 0 H MET A 22 -11.555 9.396 17.181 1.00 0.00 H new ATOM 0 HA MET A 22 -9.731 11.428 18.394 1.00 0.00 H new ATOM 0 HB2 MET A 22 -10.363 11.000 15.454 1.00 0.00 H new ATOM 0 HB3 MET A 22 -10.087 12.626 16.044 1.00 0.00 H new ATOM 0 HG2 MET A 22 -8.077 10.706 17.068 1.00 0.00 H new ATOM 0 HG3 MET A 22 -8.090 10.781 15.318 1.00 0.00 H new ATOM 0 HE1 MET A 22 -5.378 13.184 17.389 1.00 0.00 H new ATOM 0 HE2 MET A 22 -6.392 11.965 18.197 1.00 0.00 H new ATOM 0 HE3 MET A 22 -5.548 11.559 16.684 1.00 0.00 H new ATOM 352 N THR A 23 -11.802 12.683 18.948 1.00 0.00 N ATOM 353 CA THR A 23 -13.036 13.470 19.272 1.00 0.00 C ATOM 354 C THR A 23 -13.231 14.565 18.224 1.00 0.00 C ATOM 355 O THR A 23 -12.579 15.603 18.266 1.00 0.00 O ATOM 356 CB THR A 23 -12.884 14.122 20.649 1.00 0.00 C ATOM 357 OG1 THR A 23 -11.524 14.483 20.851 1.00 0.00 O ATOM 358 CG2 THR A 23 -13.311 13.138 21.731 1.00 0.00 C ATOM 0 H THR A 23 -11.041 12.782 19.620 1.00 0.00 H new ATOM 0 HA THR A 23 -13.897 12.801 19.275 1.00 0.00 H new ATOM 0 HB THR A 23 -13.512 15.012 20.700 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.320 15.292 20.337 1.00 0.00 H new ATOM 0 HG21 THR A 23 -13.202 13.604 22.710 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.353 12.857 21.577 1.00 0.00 H new ATOM 0 HG23 THR A 23 -12.684 12.248 21.681 1.00 0.00 H new ATOM 366 N VAL A 24 -14.106 14.350 17.281 1.00 0.00 N ATOM 367 CA VAL A 24 -14.335 15.380 16.221 1.00 0.00 C ATOM 368 C VAL A 24 -15.547 16.256 16.587 1.00 0.00 C ATOM 369 O VAL A 24 -16.696 15.804 16.592 1.00 0.00 O ATOM 370 CB VAL A 24 -14.557 14.679 14.869 1.00 0.00 C ATOM 371 CG1 VAL A 24 -15.914 13.974 14.844 1.00 0.00 C ATOM 372 CG2 VAL A 24 -14.520 15.713 13.748 1.00 0.00 C ATOM 0 H VAL A 24 -14.674 13.507 17.196 1.00 0.00 H new ATOM 0 HA VAL A 24 -13.461 16.026 16.145 1.00 0.00 H new ATOM 0 HB VAL A 24 -13.768 13.941 14.729 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -16.052 13.485 13.880 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -15.951 13.228 15.638 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -16.707 14.706 14.996 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -14.677 15.217 12.790 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -15.306 16.451 13.908 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -13.550 16.211 13.744 1.00 0.00 H new ATOM 382 N HIS A 25 -15.318 17.501 16.910 1.00 0.00 N ATOM 383 CA HIS A 25 -16.457 18.400 17.283 1.00 0.00 C ATOM 384 C HIS A 25 -16.342 19.733 16.525 1.00 0.00 C ATOM 385 O HIS A 25 -15.325 20.422 16.589 1.00 0.00 O ATOM 386 CB HIS A 25 -16.443 18.665 18.797 1.00 0.00 C ATOM 387 CG HIS A 25 -16.318 17.368 19.560 1.00 0.00 C ATOM 388 ND1 HIS A 25 -16.871 16.181 19.108 1.00 0.00 N ATOM 389 CD2 HIS A 25 -15.710 17.065 20.752 1.00 0.00 C ATOM 390 CE1 HIS A 25 -16.588 15.228 20.017 1.00 0.00 C ATOM 391 NE2 HIS A 25 -15.881 15.715 21.038 1.00 0.00 N ATOM 0 H HIS A 25 -14.396 17.936 16.933 1.00 0.00 H new ATOM 0 HA HIS A 25 -17.394 17.913 17.013 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -15.612 19.324 19.049 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -17.358 19.180 19.091 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -17.397 16.052 18.244 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -15.178 17.769 21.375 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -16.896 14.196 19.930 1.00 0.00 H new ATOM 399 N PHE A 26 -17.370 20.106 15.810 1.00 0.00 N ATOM 400 CA PHE A 26 -17.341 21.391 15.041 1.00 0.00 C ATOM 401 C PHE A 26 -18.326 22.389 15.671 1.00 0.00 C ATOM 402 O PHE A 26 -19.513 22.100 15.813 1.00 0.00 O ATOM 403 CB PHE A 26 -17.756 21.113 13.592 1.00 0.00 C ATOM 404 CG PHE A 26 -16.688 20.304 12.893 1.00 0.00 C ATOM 405 CD1 PHE A 26 -15.610 20.955 12.285 1.00 0.00 C ATOM 406 CD2 PHE A 26 -16.780 18.906 12.842 1.00 0.00 C ATOM 407 CE1 PHE A 26 -14.622 20.213 11.627 1.00 0.00 C ATOM 408 CE2 PHE A 26 -15.793 18.166 12.182 1.00 0.00 C ATOM 409 CZ PHE A 26 -14.714 18.818 11.576 1.00 0.00 C ATOM 0 H PHE A 26 -18.236 19.574 15.723 1.00 0.00 H new ATOM 0 HA PHE A 26 -16.336 21.812 15.065 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -18.703 20.573 13.574 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -17.915 22.053 13.064 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -15.540 22.032 12.323 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -17.611 18.401 13.311 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -13.789 20.717 11.159 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -15.864 17.089 12.140 1.00 0.00 H new ATOM 0 HZ PHE A 26 -13.952 18.245 11.069 1.00 0.00 H new ATOM 419 N LYS A 27 -17.868 23.557 16.051 1.00 0.00 N ATOM 420 CA LYS A 27 -18.800 24.554 16.672 1.00 0.00 C ATOM 421 C LYS A 27 -18.391 25.990 16.301 1.00 0.00 C ATOM 422 O LYS A 27 -17.232 26.377 16.416 1.00 0.00 O ATOM 423 CB LYS A 27 -18.766 24.396 18.198 1.00 0.00 C ATOM 424 CG LYS A 27 -19.802 25.329 18.837 1.00 0.00 C ATOM 425 CD LYS A 27 -19.365 25.685 20.265 1.00 0.00 C ATOM 426 CE LYS A 27 -19.366 27.207 20.446 1.00 0.00 C ATOM 427 NZ LYS A 27 -20.777 27.702 20.480 1.00 0.00 N ATOM 0 H LYS A 27 -16.899 23.863 15.960 1.00 0.00 H new ATOM 0 HA LYS A 27 -19.807 24.371 16.297 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -18.976 23.362 18.471 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -17.770 24.629 18.575 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -19.906 26.236 18.241 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -20.779 24.846 18.855 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -20.039 25.224 20.987 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -18.369 25.287 20.460 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -18.853 27.475 21.369 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -18.822 27.682 19.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -20.781 28.730 20.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -21.242 27.488 19.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -21.291 27.232 21.252 1.00 0.00 H new ATOM 441 N VAL A 28 -19.333 26.794 15.878 1.00 0.00 N ATOM 442 CA VAL A 28 -19.010 28.213 15.521 1.00 0.00 C ATOM 443 C VAL A 28 -18.825 29.035 16.808 1.00 0.00 C ATOM 444 O VAL A 28 -19.436 28.747 17.844 1.00 0.00 O ATOM 445 CB VAL A 28 -20.158 28.803 14.686 1.00 0.00 C ATOM 446 CG1 VAL A 28 -19.931 30.300 14.466 1.00 0.00 C ATOM 447 CG2 VAL A 28 -20.210 28.112 13.323 1.00 0.00 C ATOM 0 H VAL A 28 -20.312 26.531 15.764 1.00 0.00 H new ATOM 0 HA VAL A 28 -18.089 28.245 14.939 1.00 0.00 H new ATOM 0 HB VAL A 28 -21.095 28.648 15.221 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -20.749 30.709 13.873 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -19.892 30.808 15.430 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -18.990 30.451 13.938 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -21.025 28.532 12.733 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -19.266 28.267 12.800 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -20.376 27.044 13.463 1.00 0.00 H new ATOM 457 N LEU A 29 -17.996 30.045 16.766 1.00 0.00 N ATOM 458 CA LEU A 29 -17.766 30.888 17.985 1.00 0.00 C ATOM 459 C LEU A 29 -18.617 32.156 17.899 1.00 0.00 C ATOM 460 O LEU A 29 -19.514 32.376 18.711 1.00 0.00 O ATOM 461 CB LEU A 29 -16.280 31.270 18.088 1.00 0.00 C ATOM 462 CG LEU A 29 -15.409 30.104 17.621 1.00 0.00 C ATOM 463 CD1 LEU A 29 -13.954 30.556 17.540 1.00 0.00 C ATOM 464 CD2 LEU A 29 -15.525 28.952 18.619 1.00 0.00 C ATOM 0 H LEU A 29 -17.466 30.326 15.941 1.00 0.00 H new ATOM 0 HA LEU A 29 -18.049 30.319 18.870 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -16.079 32.152 17.479 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -16.033 31.530 19.117 1.00 0.00 H new ATOM 0 HG LEU A 29 -15.743 29.772 16.638 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -13.333 29.725 17.207 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -13.868 31.380 16.832 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -13.621 30.887 18.524 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -14.904 28.120 18.287 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -15.190 29.286 19.601 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -16.564 28.628 18.681 1.00 0.00 H new ATOM 476 N ARG A 30 -18.354 32.988 16.930 1.00 0.00 N ATOM 477 CA ARG A 30 -19.148 34.246 16.780 1.00 0.00 C ATOM 478 C ARG A 30 -18.955 34.833 15.370 1.00 0.00 C ATOM 479 O ARG A 30 -17.887 34.715 14.769 1.00 0.00 O ATOM 480 CB ARG A 30 -18.697 35.259 17.836 1.00 0.00 C ATOM 481 CG ARG A 30 -19.883 36.150 18.215 1.00 0.00 C ATOM 482 CD ARG A 30 -19.556 37.605 17.890 1.00 0.00 C ATOM 483 NE ARG A 30 -20.426 38.063 16.765 1.00 0.00 N ATOM 484 CZ ARG A 30 -21.559 38.637 17.002 1.00 0.00 C ATOM 485 NH1 ARG A 30 -21.586 39.885 17.317 1.00 0.00 N ATOM 486 NH2 ARG A 30 -22.651 37.963 16.928 1.00 0.00 N ATOM 0 H ARG A 30 -17.622 32.853 16.232 1.00 0.00 H new ATOM 0 HA ARG A 30 -20.205 34.022 16.920 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -18.320 34.740 18.717 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -17.879 35.867 17.449 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -20.774 35.837 17.671 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -20.105 36.045 19.277 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -19.716 38.231 18.768 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -18.505 37.702 17.616 1.00 0.00 H new ATOM 0 HE ARG A 30 -20.123 37.921 15.801 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -20.716 40.414 17.378 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -22.477 40.344 17.505 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -22.624 36.974 16.682 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -23.545 38.418 17.115 1.00 0.00 H new ATOM 631 N PHE A 40 -17.507 33.646 8.773 1.00 0.00 N ATOM 632 CA PHE A 40 -17.972 32.837 9.939 1.00 0.00 C ATOM 633 C PHE A 40 -16.812 32.009 10.511 1.00 0.00 C ATOM 634 O PHE A 40 -16.292 31.104 9.852 1.00 0.00 O ATOM 635 CB PHE A 40 -19.074 31.886 9.483 1.00 0.00 C ATOM 636 CG PHE A 40 -20.314 32.198 10.257 1.00 0.00 C ATOM 637 CD1 PHE A 40 -20.755 33.511 10.310 1.00 0.00 C ATOM 638 CD2 PHE A 40 -21.005 31.190 10.933 1.00 0.00 C ATOM 639 CE1 PHE A 40 -21.901 33.833 11.041 1.00 0.00 C ATOM 640 CE2 PHE A 40 -22.152 31.506 11.669 1.00 0.00 C ATOM 641 CZ PHE A 40 -22.600 32.830 11.723 1.00 0.00 C ATOM 0 HA PHE A 40 -18.346 33.512 10.708 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -19.255 32.000 8.414 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -18.774 30.851 9.647 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -20.213 34.285 9.786 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -20.655 30.169 10.888 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -22.248 34.855 11.080 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -22.690 30.730 12.194 1.00 0.00 H new ATOM 0 HZ PHE A 40 -23.485 33.078 12.291 1.00 0.00 H new ATOM 651 N ILE A 41 -16.407 32.287 11.723 1.00 0.00 N ATOM 652 CA ILE A 41 -15.288 31.505 12.341 1.00 0.00 C ATOM 653 C ILE A 41 -15.838 30.204 12.948 1.00 0.00 C ATOM 654 O ILE A 41 -16.410 30.198 14.042 1.00 0.00 O ATOM 655 CB ILE A 41 -14.617 32.336 13.444 1.00 0.00 C ATOM 656 CG1 ILE A 41 -14.073 33.640 12.854 1.00 0.00 C ATOM 657 CG2 ILE A 41 -13.457 31.543 14.052 1.00 0.00 C ATOM 658 CD1 ILE A 41 -14.876 34.820 13.401 1.00 0.00 C ATOM 0 H ILE A 41 -16.800 33.020 12.313 1.00 0.00 H new ATOM 0 HA ILE A 41 -14.554 31.267 11.571 1.00 0.00 H new ATOM 0 HB ILE A 41 -15.354 32.562 14.214 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -13.019 33.755 13.107 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -14.138 33.615 11.766 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -12.982 32.135 14.835 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -13.835 30.614 14.479 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -12.726 31.315 13.276 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -14.489 35.749 12.982 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -15.924 34.706 13.125 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -14.788 34.848 14.487 1.00 0.00 H new ATOM 670 N THR A 42 -15.670 29.102 12.268 1.00 0.00 N ATOM 671 CA THR A 42 -16.173 27.802 12.814 1.00 0.00 C ATOM 672 C THR A 42 -15.029 27.081 13.534 1.00 0.00 C ATOM 673 O THR A 42 -14.024 26.723 12.921 1.00 0.00 O ATOM 674 CB THR A 42 -16.696 26.919 11.673 1.00 0.00 C ATOM 675 OG1 THR A 42 -17.828 27.540 11.077 1.00 0.00 O ATOM 676 CG2 THR A 42 -17.103 25.550 12.222 1.00 0.00 C ATOM 0 H THR A 42 -15.208 29.042 11.361 1.00 0.00 H new ATOM 0 HA THR A 42 -16.986 27.997 13.513 1.00 0.00 H new ATOM 0 HB THR A 42 -15.910 26.791 10.929 1.00 0.00 H new ATOM 0 HG1 THR A 42 -18.163 26.978 10.347 1.00 0.00 H new ATOM 0 HG21 THR A 42 -17.474 24.927 11.408 1.00 0.00 H new ATOM 0 HG22 THR A 42 -16.239 25.071 12.681 1.00 0.00 H new ATOM 0 HG23 THR A 42 -17.887 25.676 12.968 1.00 0.00 H new ATOM 684 N ALA A 43 -15.161 26.859 14.815 1.00 0.00 N ATOM 685 CA ALA A 43 -14.082 26.158 15.575 1.00 0.00 C ATOM 686 C ALA A 43 -14.183 24.644 15.345 1.00 0.00 C ATOM 687 O ALA A 43 -15.279 24.079 15.246 1.00 0.00 O ATOM 688 CB ALA A 43 -14.230 26.465 17.067 1.00 0.00 C ATOM 0 H ALA A 43 -15.972 27.133 15.370 1.00 0.00 H new ATOM 0 HA ALA A 43 -13.110 26.506 15.227 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -13.444 25.955 17.623 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -14.148 27.540 17.227 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -15.203 26.119 17.415 1.00 0.00 H new ATOM 694 N CYS A 44 -13.064 23.977 15.256 1.00 0.00 N ATOM 695 CA CYS A 44 -13.080 22.500 15.027 1.00 0.00 C ATOM 696 C CYS A 44 -12.140 21.811 16.023 1.00 0.00 C ATOM 697 O CYS A 44 -10.936 22.064 16.046 1.00 0.00 O ATOM 698 CB CYS A 44 -12.611 22.203 13.599 1.00 0.00 C ATOM 699 SG CYS A 44 -13.387 23.368 12.454 1.00 0.00 S ATOM 0 H CYS A 44 -12.135 24.391 15.332 1.00 0.00 H new ATOM 0 HA CYS A 44 -14.093 22.124 15.168 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -11.526 22.284 13.537 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -12.870 21.180 13.325 1.00 0.00 H new ATOM 0 HG CYS A 44 -14.300 22.753 11.762 1.00 0.00 H new ATOM 705 N ILE A 45 -12.659 20.943 16.845 1.00 0.00 N ATOM 706 CA ILE A 45 -11.786 20.241 17.829 1.00 0.00 C ATOM 707 C ILE A 45 -11.648 18.758 17.451 1.00 0.00 C ATOM 708 O ILE A 45 -12.625 18.078 17.127 1.00 0.00 O ATOM 709 CB ILE A 45 -12.373 20.392 19.243 1.00 0.00 C ATOM 710 CG1 ILE A 45 -11.229 20.411 20.261 1.00 0.00 C ATOM 711 CG2 ILE A 45 -13.313 19.226 19.563 1.00 0.00 C ATOM 712 CD1 ILE A 45 -11.803 20.429 21.679 1.00 0.00 C ATOM 0 H ILE A 45 -13.646 20.689 16.879 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.793 20.690 17.814 1.00 0.00 H new ATOM 0 HB ILE A 45 -12.938 21.323 19.293 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.594 19.535 20.126 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -10.601 21.287 20.101 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -13.718 19.350 20.567 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -14.130 19.209 18.842 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -12.761 18.288 19.508 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -10.987 20.442 22.402 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -12.419 21.318 21.811 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -12.412 19.539 21.836 1.00 0.00 H new ATOM 724 N VAL A 46 -10.445 18.258 17.482 1.00 0.00 N ATOM 725 CA VAL A 46 -10.185 16.826 17.137 1.00 0.00 C ATOM 726 C VAL A 46 -9.685 16.094 18.396 1.00 0.00 C ATOM 727 O VAL A 46 -9.740 16.624 19.507 1.00 0.00 O ATOM 728 CB VAL A 46 -9.115 16.723 16.028 1.00 0.00 C ATOM 729 CG1 VAL A 46 -9.646 15.854 14.893 1.00 0.00 C ATOM 730 CG2 VAL A 46 -8.771 18.107 15.463 1.00 0.00 C ATOM 0 H VAL A 46 -9.612 18.789 17.737 1.00 0.00 H new ATOM 0 HA VAL A 46 -11.108 16.372 16.776 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.217 16.284 16.462 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.893 15.780 14.109 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.874 14.858 15.273 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.552 16.302 14.485 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.015 18.004 14.684 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.668 18.561 15.041 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -8.385 18.740 16.262 1.00 0.00 H new ATOM 740 N GLY A 47 -9.191 14.889 18.249 1.00 0.00 N ATOM 741 CA GLY A 47 -8.681 14.129 19.439 1.00 0.00 C ATOM 742 C GLY A 47 -7.480 14.857 20.052 1.00 0.00 C ATOM 743 O GLY A 47 -6.341 14.667 19.632 1.00 0.00 O ATOM 0 H GLY A 47 -9.118 14.397 17.359 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.472 14.027 20.182 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.392 13.121 19.140 1.00 0.00 H new ATOM 747 N SER A 48 -7.720 15.690 21.035 1.00 0.00 N ATOM 748 CA SER A 48 -6.605 16.454 21.697 1.00 0.00 C ATOM 749 C SER A 48 -6.030 17.505 20.732 1.00 0.00 C ATOM 750 O SER A 48 -4.866 17.891 20.834 1.00 0.00 O ATOM 751 CB SER A 48 -5.490 15.492 22.127 1.00 0.00 C ATOM 752 OG SER A 48 -6.069 14.314 22.682 1.00 0.00 O ATOM 0 H SER A 48 -8.648 15.878 21.414 1.00 0.00 H new ATOM 0 HA SER A 48 -7.007 16.958 22.576 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.866 15.235 21.271 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.843 15.973 22.861 1.00 0.00 H new ATOM 0 HG SER A 48 -5.358 13.698 22.956 1.00 0.00 H new ATOM 758 N ILE A 49 -6.822 17.982 19.804 1.00 0.00 N ATOM 759 CA ILE A 49 -6.323 19.010 18.835 1.00 0.00 C ATOM 760 C ILE A 49 -7.434 20.035 18.556 1.00 0.00 C ATOM 761 O ILE A 49 -8.616 19.716 18.606 1.00 0.00 O ATOM 762 CB ILE A 49 -5.922 18.322 17.517 1.00 0.00 C ATOM 763 CG1 ILE A 49 -4.786 17.327 17.768 1.00 0.00 C ATOM 764 CG2 ILE A 49 -5.444 19.370 16.508 1.00 0.00 C ATOM 765 CD1 ILE A 49 -4.560 16.485 16.509 1.00 0.00 C ATOM 0 H ILE A 49 -7.795 17.704 19.674 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.457 19.517 19.260 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.791 17.795 17.122 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.872 17.860 18.031 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -5.033 16.682 18.611 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.162 18.877 15.578 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.247 20.080 16.313 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.582 19.900 16.914 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.751 15.776 16.686 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.473 15.941 16.266 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.295 17.138 15.677 1.00 0.00 H new ATOM 777 N VAL A 50 -7.083 21.252 18.247 1.00 0.00 N ATOM 778 CA VAL A 50 -8.128 22.283 17.940 1.00 0.00 C ATOM 779 C VAL A 50 -7.763 22.970 16.623 1.00 0.00 C ATOM 780 O VAL A 50 -6.592 23.060 16.258 1.00 0.00 O ATOM 781 CB VAL A 50 -8.208 23.331 19.059 1.00 0.00 C ATOM 782 CG1 VAL A 50 -9.568 24.031 19.008 1.00 0.00 C ATOM 783 CG2 VAL A 50 -8.049 22.656 20.423 1.00 0.00 C ATOM 0 H VAL A 50 -6.120 21.582 18.192 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.099 21.794 17.860 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.408 24.058 18.918 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.624 24.775 19.803 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.689 24.522 18.042 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.361 23.295 19.143 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.107 23.408 21.210 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.844 21.924 20.561 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.082 22.155 20.471 1.00 0.00 H new ATOM 793 N THR A 51 -8.734 23.446 15.899 1.00 0.00 N ATOM 794 CA THR A 51 -8.434 24.114 14.595 1.00 0.00 C ATOM 795 C THR A 51 -9.662 24.900 14.115 1.00 0.00 C ATOM 796 O THR A 51 -10.720 24.335 13.849 1.00 0.00 O ATOM 797 CB THR A 51 -8.023 23.036 13.565 1.00 0.00 C ATOM 798 OG1 THR A 51 -6.680 23.255 13.162 1.00 0.00 O ATOM 799 CG2 THR A 51 -8.907 23.072 12.318 1.00 0.00 C ATOM 0 H THR A 51 -9.722 23.404 16.149 1.00 0.00 H new ATOM 0 HA THR A 51 -7.612 24.820 14.714 1.00 0.00 H new ATOM 0 HB THR A 51 -8.137 22.065 14.046 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.211 22.396 13.105 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.584 22.299 11.621 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.944 22.894 12.602 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.824 24.049 11.841 1.00 0.00 H new ATOM 807 N GLU A 52 -9.543 26.194 14.004 1.00 0.00 N ATOM 808 CA GLU A 52 -10.702 27.017 13.544 1.00 0.00 C ATOM 809 C GLU A 52 -10.748 27.054 12.008 1.00 0.00 C ATOM 810 O GLU A 52 -9.757 26.766 11.326 1.00 0.00 O ATOM 811 CB GLU A 52 -10.562 28.435 14.104 1.00 0.00 C ATOM 812 CG GLU A 52 -11.374 28.550 15.404 1.00 0.00 C ATOM 813 CD GLU A 52 -10.805 27.608 16.473 1.00 0.00 C ATOM 814 OE1 GLU A 52 -11.174 26.444 16.473 1.00 0.00 O ATOM 815 OE2 GLU A 52 -10.016 28.069 17.276 1.00 0.00 O ATOM 0 H GLU A 52 -8.694 26.719 14.212 1.00 0.00 H new ATOM 0 HA GLU A 52 -11.630 26.574 13.905 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.513 28.661 14.296 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.917 29.163 13.375 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -11.350 29.578 15.766 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -12.418 28.304 15.211 1.00 0.00 H new ATOM 822 N GLY A 53 -11.882 27.392 11.446 1.00 0.00 N ATOM 823 CA GLY A 53 -12.004 27.436 9.953 1.00 0.00 C ATOM 824 C GLY A 53 -12.697 28.728 9.513 1.00 0.00 C ATOM 825 O GLY A 53 -13.901 28.903 9.700 1.00 0.00 O ATOM 0 H GLY A 53 -12.730 27.640 11.956 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.015 27.373 9.499 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.571 26.574 9.602 1.00 0.00 H new ATOM 829 N GLU A 54 -11.957 29.630 8.928 1.00 0.00 N ATOM 830 CA GLU A 54 -12.553 30.919 8.462 1.00 0.00 C ATOM 831 C GLU A 54 -13.341 30.692 7.159 1.00 0.00 C ATOM 832 O GLU A 54 -12.870 30.970 6.056 1.00 0.00 O ATOM 833 CB GLU A 54 -11.433 31.946 8.229 1.00 0.00 C ATOM 834 CG GLU A 54 -10.205 31.268 7.593 1.00 0.00 C ATOM 835 CD GLU A 54 -9.617 32.152 6.493 1.00 0.00 C ATOM 836 OE1 GLU A 54 -9.305 33.294 6.772 1.00 0.00 O ATOM 837 OE2 GLU A 54 -9.476 31.661 5.392 1.00 0.00 O ATOM 0 H GLU A 54 -10.957 29.530 8.751 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.235 31.298 9.223 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.792 32.744 7.580 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.152 32.408 9.176 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.451 31.077 8.357 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.490 30.301 7.178 1.00 0.00 H new ATOM 844 N GLY A 55 -14.534 30.170 7.261 1.00 0.00 N ATOM 845 CA GLY A 55 -15.342 29.917 6.024 1.00 0.00 C ATOM 846 C GLY A 55 -16.345 31.053 5.771 1.00 0.00 C ATOM 847 O GLY A 55 -16.503 31.971 6.575 1.00 0.00 O ATOM 0 H GLY A 55 -14.984 29.908 8.138 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -14.677 29.819 5.166 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.877 28.972 6.123 1.00 0.00 H new ATOM 943 N LYS A 62 -18.587 25.477 7.346 1.00 0.00 N ATOM 944 CA LYS A 62 -18.707 24.042 7.755 1.00 0.00 C ATOM 945 C LYS A 62 -17.845 23.149 6.836 1.00 0.00 C ATOM 946 O LYS A 62 -17.656 21.965 7.107 1.00 0.00 O ATOM 947 CB LYS A 62 -20.173 23.610 7.679 1.00 0.00 C ATOM 948 CG LYS A 62 -20.362 22.341 8.510 1.00 0.00 C ATOM 949 CD LYS A 62 -21.808 21.860 8.384 1.00 0.00 C ATOM 950 CE LYS A 62 -21.896 20.392 8.800 1.00 0.00 C ATOM 951 NZ LYS A 62 -23.187 20.166 9.508 1.00 0.00 N ATOM 0 HA LYS A 62 -18.350 23.933 8.779 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -20.819 24.404 8.053 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -20.458 23.428 6.643 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -19.678 21.564 8.168 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -20.123 22.539 9.555 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -22.460 22.467 9.012 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -22.154 21.979 7.357 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -21.829 19.748 7.923 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -21.060 20.134 9.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -23.256 19.169 9.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -23.231 20.773 10.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -23.977 20.398 8.872 1.00 0.00 H new ATOM 965 N LYS A 63 -17.309 23.696 5.769 1.00 0.00 N ATOM 966 CA LYS A 63 -16.449 22.891 4.848 1.00 0.00 C ATOM 967 C LYS A 63 -14.976 23.212 5.130 1.00 0.00 C ATOM 968 O LYS A 63 -14.238 22.378 5.641 1.00 0.00 O ATOM 969 CB LYS A 63 -16.773 23.252 3.395 1.00 0.00 C ATOM 970 CG LYS A 63 -18.087 22.596 2.973 1.00 0.00 C ATOM 971 CD LYS A 63 -18.283 22.803 1.470 1.00 0.00 C ATOM 972 CE LYS A 63 -19.746 22.568 1.101 1.00 0.00 C ATOM 973 NZ LYS A 63 -20.343 23.854 0.637 1.00 0.00 N ATOM 0 H LYS A 63 -17.433 24.671 5.497 1.00 0.00 H new ATOM 0 HA LYS A 63 -16.637 21.829 5.009 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -16.847 24.334 3.289 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.966 22.922 2.741 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -18.070 21.532 3.208 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -18.920 23.031 3.525 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -17.986 23.814 1.191 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -17.644 22.118 0.913 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -19.820 21.814 0.317 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -20.295 22.187 1.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -21.340 23.702 0.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -20.283 24.560 1.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -19.823 24.198 -0.195 1.00 0.00 H new ATOM 987 N ARG A 64 -14.545 24.416 4.822 1.00 0.00 N ATOM 988 CA ARG A 64 -13.118 24.815 5.074 1.00 0.00 C ATOM 989 C ARG A 64 -12.677 24.358 6.474 1.00 0.00 C ATOM 990 O ARG A 64 -11.544 23.916 6.672 1.00 0.00 O ATOM 991 CB ARG A 64 -12.992 26.342 4.968 1.00 0.00 C ATOM 992 CG ARG A 64 -11.510 26.739 4.958 1.00 0.00 C ATOM 993 CD ARG A 64 -11.362 28.207 5.375 1.00 0.00 C ATOM 994 NE ARG A 64 -11.296 29.083 4.161 1.00 0.00 N ATOM 995 CZ ARG A 64 -10.241 29.086 3.408 1.00 0.00 C ATOM 996 NH1 ARG A 64 -10.115 28.213 2.468 1.00 0.00 N ATOM 997 NH2 ARG A 64 -9.320 29.964 3.599 1.00 0.00 N ATOM 0 H ARG A 64 -15.124 25.144 4.404 1.00 0.00 H new ATOM 0 HA ARG A 64 -12.478 24.339 4.331 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -13.479 26.695 4.059 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -13.500 26.818 5.807 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.948 26.100 5.639 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -11.091 26.590 3.963 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.204 28.502 6.001 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.460 28.334 5.974 1.00 0.00 H new ATOM 0 HE ARG A 64 -12.088 29.682 3.925 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.846 27.518 2.316 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.284 28.217 1.876 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.421 30.656 4.342 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -8.489 29.968 3.008 1.00 0.00 H new ATOM 1011 N ALA A 65 -13.549 24.445 7.447 1.00 0.00 N ATOM 1012 CA ALA A 65 -13.180 24.001 8.822 1.00 0.00 C ATOM 1013 C ALA A 65 -12.954 22.474 8.814 1.00 0.00 C ATOM 1014 O ALA A 65 -11.968 21.969 9.355 1.00 0.00 O ATOM 1015 CB ALA A 65 -14.311 24.362 9.791 1.00 0.00 C ATOM 0 H ALA A 65 -14.499 24.804 7.347 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.265 24.498 9.144 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -14.045 24.039 10.797 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -14.465 25.441 9.785 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -15.229 23.863 9.481 1.00 0.00 H new ATOM 1021 N ALA A 66 -13.840 21.738 8.186 1.00 0.00 N ATOM 1022 CA ALA A 66 -13.682 20.251 8.109 1.00 0.00 C ATOM 1023 C ALA A 66 -12.467 19.912 7.229 1.00 0.00 C ATOM 1024 O ALA A 66 -11.643 19.071 7.588 1.00 0.00 O ATOM 1025 CB ALA A 66 -14.951 19.638 7.504 1.00 0.00 C ATOM 0 H ALA A 66 -14.670 22.106 7.721 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.526 19.844 9.108 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -14.840 18.555 7.446 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -15.808 19.882 8.132 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -15.108 20.041 6.503 1.00 0.00 H new ATOM 1031 N GLU A 67 -12.335 20.565 6.096 1.00 0.00 N ATOM 1032 CA GLU A 67 -11.168 20.312 5.190 1.00 0.00 C ATOM 1033 C GLU A 67 -9.875 20.349 6.012 1.00 0.00 C ATOM 1034 O GLU A 67 -9.068 19.417 5.987 1.00 0.00 O ATOM 1035 CB GLU A 67 -11.120 21.409 4.115 1.00 0.00 C ATOM 1036 CG GLU A 67 -11.871 20.943 2.857 1.00 0.00 C ATOM 1037 CD GLU A 67 -13.139 21.782 2.656 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -13.012 22.974 2.421 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -14.217 21.215 2.731 1.00 0.00 O ATOM 0 H GLU A 67 -12.992 21.268 5.758 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.272 19.336 4.715 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.569 22.326 4.498 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.085 21.641 3.866 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.224 21.033 1.984 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.134 19.889 2.951 1.00 0.00 H new ATOM 1046 N LYS A 68 -9.680 21.408 6.756 1.00 0.00 N ATOM 1047 CA LYS A 68 -8.459 21.532 7.610 1.00 0.00 C ATOM 1048 C LYS A 68 -8.350 20.316 8.536 1.00 0.00 C ATOM 1049 O LYS A 68 -7.333 19.634 8.570 1.00 0.00 O ATOM 1050 CB LYS A 68 -8.562 22.800 8.464 1.00 0.00 C ATOM 1051 CG LYS A 68 -7.700 23.914 7.856 1.00 0.00 C ATOM 1052 CD LYS A 68 -6.544 24.259 8.806 1.00 0.00 C ATOM 1053 CE LYS A 68 -7.097 24.659 10.179 1.00 0.00 C ATOM 1054 NZ LYS A 68 -6.035 24.471 11.212 1.00 0.00 N ATOM 0 H LYS A 68 -10.321 22.200 6.809 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.578 21.585 6.970 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.601 23.125 8.524 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.234 22.590 9.482 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.306 23.595 6.891 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.310 24.799 7.675 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.878 23.402 8.908 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.952 25.075 8.391 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.425 25.698 10.163 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.969 24.053 10.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.460 24.092 12.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.320 23.804 10.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.584 25.386 11.417 1.00 0.00 H new ATOM 1068 N MET A 69 -9.382 20.029 9.286 1.00 0.00 N ATOM 1069 CA MET A 69 -9.330 18.856 10.208 1.00 0.00 C ATOM 1070 C MET A 69 -9.045 17.571 9.416 1.00 0.00 C ATOM 1071 O MET A 69 -8.317 16.693 9.877 1.00 0.00 O ATOM 1072 CB MET A 69 -10.665 18.728 10.945 1.00 0.00 C ATOM 1073 CG MET A 69 -10.423 18.105 12.318 1.00 0.00 C ATOM 1074 SD MET A 69 -12.007 17.625 13.039 1.00 0.00 S ATOM 1075 CE MET A 69 -12.010 18.826 14.390 1.00 0.00 C ATOM 0 H MET A 69 -10.256 20.554 9.300 1.00 0.00 H new ATOM 0 HA MET A 69 -8.529 19.005 10.932 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.129 19.708 11.054 1.00 0.00 H new ATOM 0 HB3 MET A 69 -11.354 18.111 10.369 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.773 17.235 12.226 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.914 18.816 12.969 1.00 0.00 H new ATOM 0 HE1 MET A 69 -13.035 19.122 14.612 1.00 0.00 H new ATOM 0 HE2 MET A 69 -11.562 18.377 15.277 1.00 0.00 H new ATOM 0 HE3 MET A 69 -11.434 19.704 14.097 1.00 0.00 H new ATOM 1085 N LEU A 70 -9.591 17.440 8.233 1.00 0.00 N ATOM 1086 CA LEU A 70 -9.329 16.210 7.427 1.00 0.00 C ATOM 1087 C LEU A 70 -7.856 16.179 7.011 1.00 0.00 C ATOM 1088 O LEU A 70 -7.170 15.179 7.205 1.00 0.00 O ATOM 1089 CB LEU A 70 -10.224 16.193 6.183 1.00 0.00 C ATOM 1090 CG LEU A 70 -11.635 15.732 6.563 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -12.427 15.441 5.294 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -11.560 14.456 7.403 1.00 0.00 C ATOM 0 H LEU A 70 -10.203 18.127 7.793 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.554 15.331 8.031 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.264 17.188 5.739 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.804 15.525 5.431 1.00 0.00 H new ATOM 0 HG LEU A 70 -12.123 16.518 7.140 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.432 15.113 5.560 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.489 16.345 4.688 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.927 14.657 4.725 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.567 14.136 7.669 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.069 13.671 6.829 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.990 14.651 8.311 1.00 0.00 H new ATOM 1104 N VAL A 71 -7.344 17.254 6.464 1.00 0.00 N ATOM 1105 CA VAL A 71 -5.901 17.263 6.068 1.00 0.00 C ATOM 1106 C VAL A 71 -5.034 17.146 7.333 1.00 0.00 C ATOM 1107 O VAL A 71 -3.996 16.483 7.334 1.00 0.00 O ATOM 1108 CB VAL A 71 -5.569 18.550 5.295 1.00 0.00 C ATOM 1109 CG1 VAL A 71 -5.548 19.758 6.234 1.00 0.00 C ATOM 1110 CG2 VAL A 71 -4.195 18.406 4.641 1.00 0.00 C ATOM 0 H VAL A 71 -7.855 18.116 6.276 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.694 16.417 5.413 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.336 18.706 4.537 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -5.311 20.657 5.665 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.526 19.872 6.702 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.792 19.607 7.005 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.956 19.317 4.092 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.442 18.238 5.411 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.206 17.560 3.953 1.00 0.00 H new ATOM 1120 N GLU A 72 -5.458 17.748 8.417 1.00 0.00 N ATOM 1121 CA GLU A 72 -4.685 17.649 9.688 1.00 0.00 C ATOM 1122 C GLU A 72 -4.692 16.180 10.151 1.00 0.00 C ATOM 1123 O GLU A 72 -3.655 15.614 10.491 1.00 0.00 O ATOM 1124 CB GLU A 72 -5.337 18.559 10.750 1.00 0.00 C ATOM 1125 CG GLU A 72 -4.581 19.906 10.812 1.00 0.00 C ATOM 1126 CD GLU A 72 -5.521 21.053 11.206 1.00 0.00 C ATOM 1127 OE1 GLU A 72 -6.103 20.991 12.275 1.00 0.00 O ATOM 1128 OE2 GLU A 72 -5.617 21.997 10.445 1.00 0.00 O ATOM 0 H GLU A 72 -6.310 18.305 8.474 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.655 17.973 9.539 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.385 18.729 10.504 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -5.314 18.072 11.725 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.767 19.836 11.533 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.131 20.118 9.842 1.00 0.00 H new ATOM 1135 N LEU A 73 -5.842 15.549 10.148 1.00 0.00 N ATOM 1136 CA LEU A 73 -5.935 14.109 10.572 1.00 0.00 C ATOM 1137 C LEU A 73 -5.359 13.172 9.493 1.00 0.00 C ATOM 1138 O LEU A 73 -4.921 12.063 9.790 1.00 0.00 O ATOM 1139 CB LEU A 73 -7.407 13.737 10.783 1.00 0.00 C ATOM 1140 CG LEU A 73 -8.007 14.560 11.919 1.00 0.00 C ATOM 1141 CD1 LEU A 73 -9.508 14.287 11.990 1.00 0.00 C ATOM 1142 CD2 LEU A 73 -7.356 14.159 13.240 1.00 0.00 C ATOM 0 H LEU A 73 -6.728 15.970 9.869 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.363 13.993 11.493 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.968 13.911 9.864 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.491 12.675 11.012 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.831 15.620 11.738 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.946 14.871 12.799 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.974 14.569 11.046 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.677 13.226 12.176 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.785 14.748 14.051 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.534 13.100 13.427 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.283 14.343 13.187 1.00 0.00 H new ATOM 1154 N GLN A 74 -5.387 13.571 8.248 1.00 0.00 N ATOM 1155 CA GLN A 74 -4.872 12.682 7.156 1.00 0.00 C ATOM 1156 C GLN A 74 -3.336 12.743 7.062 1.00 0.00 C ATOM 1157 O GLN A 74 -2.717 11.949 6.354 1.00 0.00 O ATOM 1158 CB GLN A 74 -5.490 13.128 5.826 1.00 0.00 C ATOM 1159 CG GLN A 74 -6.813 12.384 5.602 1.00 0.00 C ATOM 1160 CD GLN A 74 -6.992 12.074 4.117 1.00 0.00 C ATOM 1161 OE1 GLN A 74 -7.877 12.614 3.468 1.00 0.00 O ATOM 1162 NE2 GLN A 74 -6.198 11.226 3.539 1.00 0.00 N ATOM 0 H GLN A 74 -5.744 14.474 7.937 1.00 0.00 H new ATOM 0 HA GLN A 74 -5.152 11.652 7.379 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -5.663 14.204 5.836 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -4.802 12.923 5.006 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -6.822 11.459 6.179 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -7.646 12.990 5.959 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -5.458 10.773 4.075 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.314 11.013 2.548 1.00 0.00 H new ATOM 1171 N LYS A 75 -2.713 13.665 7.746 1.00 0.00 N ATOM 1172 CA LYS A 75 -1.222 13.777 7.687 1.00 0.00 C ATOM 1173 C LYS A 75 -0.598 13.523 9.070 1.00 0.00 C ATOM 1174 O LYS A 75 0.618 13.355 9.187 1.00 0.00 O ATOM 1175 CB LYS A 75 -0.862 15.194 7.233 1.00 0.00 C ATOM 1176 CG LYS A 75 0.646 15.296 6.986 1.00 0.00 C ATOM 1177 CD LYS A 75 1.256 16.319 7.956 1.00 0.00 C ATOM 1178 CE LYS A 75 2.301 15.640 8.849 1.00 0.00 C ATOM 1179 NZ LYS A 75 1.674 15.238 10.145 1.00 0.00 N ATOM 0 H LYS A 75 -3.173 14.350 8.346 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.836 13.033 6.990 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.406 15.442 6.322 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.165 15.916 7.992 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.115 14.322 7.126 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.837 15.597 5.956 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.718 17.132 7.396 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.472 16.761 8.571 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.710 14.764 8.345 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.133 16.320 9.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.372 15.327 10.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.861 15.855 10.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.352 14.251 10.084 1.00 0.00 H new ATOM 1193 N LEU A 76 -1.386 13.526 10.114 1.00 0.00 N ATOM 1194 CA LEU A 76 -0.836 13.316 11.487 1.00 0.00 C ATOM 1195 C LEU A 76 -0.174 11.934 11.601 1.00 0.00 C ATOM 1196 O LEU A 76 1.046 11.900 11.690 1.00 0.00 O ATOM 1197 CB LEU A 76 -1.980 13.453 12.498 1.00 0.00 C ATOM 1198 CG LEU A 76 -2.150 14.927 12.869 1.00 0.00 C ATOM 1199 CD1 LEU A 76 -3.520 15.149 13.505 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -1.064 15.327 13.863 1.00 0.00 C ATOM 1201 OXT LEU A 76 -0.886 10.940 11.597 1.00 0.00 O ATOM 0 H LEU A 76 -2.396 13.666 10.074 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.071 14.065 11.694 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.905 13.064 12.073 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.766 12.864 13.390 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.069 15.534 11.967 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.634 16.201 13.766 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.300 14.865 12.798 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.606 14.540 14.405 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.183 16.377 14.129 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.148 14.714 14.760 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.084 15.176 13.411 1.00 0.00 H new