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 -28:sc= 0.514 USER MOD Set 1.2: A 51 THR OG1 : rot 128:sc= 1.06 USER MOD Set 1.3: A 69 MET CE :methyl -132:sc= -1.35 (180deg=-4.26!) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0726 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.244 X(o=-0.24,f=-0.32) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.134 X(o=-0.13,f=0) USER MOD Single : A 22 MET CE :methyl -141:sc= -0.419 (180deg=-1.24) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.686 USER MOD Single : A 25 HIS : no HE2:sc= -1.93 K(o=-1.9,f=-5.6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 152:sc= 0.712 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 161:sc= -0.827! (180deg=-2.92!) USER MOD Single : A 68 LYS NZ :NH3+ -150:sc= -1.31! (180deg=-3.67!) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -171:sc= -1.17! (180deg=-2.03!) USER MOD ----------------------------------------------------------------- ATOM 121 N PRO A 9 -18.369 7.119 35.207 1.00 0.00 N ATOM 122 CA PRO A 9 -18.684 8.533 35.530 1.00 0.00 C ATOM 123 C PRO A 9 -19.939 8.662 36.412 1.00 0.00 C ATOM 124 O PRO A 9 -20.201 9.720 36.976 1.00 0.00 O ATOM 125 CB PRO A 9 -18.931 9.162 34.156 1.00 0.00 C ATOM 126 CG PRO A 9 -19.310 8.002 33.205 1.00 0.00 C ATOM 127 CD PRO A 9 -18.750 6.714 33.836 1.00 0.00 C ATOM 0 HA PRO A 9 -17.885 9.012 36.096 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -19.731 9.901 34.205 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -18.040 9.680 33.801 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -20.391 7.936 33.086 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -18.889 8.162 32.212 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -19.496 5.919 33.848 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -17.892 6.338 33.279 1.00 0.00 H new ATOM 135 N ILE A 10 -20.727 7.624 36.531 1.00 0.00 N ATOM 136 CA ILE A 10 -21.970 7.714 37.369 1.00 0.00 C ATOM 137 C ILE A 10 -22.038 6.530 38.342 1.00 0.00 C ATOM 138 O ILE A 10 -22.145 6.716 39.552 1.00 0.00 O ATOM 139 CB ILE A 10 -23.200 7.708 36.450 1.00 0.00 C ATOM 140 CG1 ILE A 10 -23.153 8.931 35.529 1.00 0.00 C ATOM 141 CG2 ILE A 10 -24.478 7.767 37.292 1.00 0.00 C ATOM 142 CD1 ILE A 10 -24.295 8.857 34.511 1.00 0.00 C ATOM 0 H ILE A 10 -20.568 6.719 36.087 1.00 0.00 H new ATOM 0 HA ILE A 10 -21.950 8.638 37.947 1.00 0.00 H new ATOM 0 HB ILE A 10 -23.197 6.794 35.856 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -23.237 9.845 36.118 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -22.194 8.972 35.012 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -25.347 7.763 36.635 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -24.518 6.901 37.953 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -24.479 8.679 37.888 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -24.257 9.729 33.858 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -24.191 7.951 33.913 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -25.250 8.838 35.036 1.00 0.00 H new ATOM 154 N SER A 11 -21.978 5.324 37.836 1.00 0.00 N ATOM 155 CA SER A 11 -22.038 4.110 38.720 1.00 0.00 C ATOM 156 C SER A 11 -21.152 4.302 39.956 1.00 0.00 C ATOM 157 O SER A 11 -21.645 4.431 41.075 1.00 0.00 O ATOM 158 CB SER A 11 -21.549 2.886 37.936 1.00 0.00 C ATOM 159 OG SER A 11 -20.914 3.319 36.731 1.00 0.00 O ATOM 0 H SER A 11 -21.889 5.123 36.840 1.00 0.00 H new ATOM 0 HA SER A 11 -23.069 3.962 39.042 1.00 0.00 H new ATOM 0 HB2 SER A 11 -20.851 2.308 38.541 1.00 0.00 H new ATOM 0 HB3 SER A 11 -22.388 2.230 37.703 1.00 0.00 H new ATOM 0 HG SER A 11 -20.599 2.539 36.229 1.00 0.00 H new ATOM 165 N GLN A 12 -19.856 4.325 39.777 1.00 0.00 N ATOM 166 CA GLN A 12 -18.936 4.500 40.944 1.00 0.00 C ATOM 167 C GLN A 12 -19.338 5.732 41.769 1.00 0.00 C ATOM 168 O GLN A 12 -19.280 5.711 42.997 1.00 0.00 O ATOM 169 CB GLN A 12 -17.495 4.640 40.451 1.00 0.00 C ATOM 170 CG GLN A 12 -16.747 3.335 40.738 1.00 0.00 C ATOM 171 CD GLN A 12 -15.244 3.554 40.586 1.00 0.00 C ATOM 172 OE1 GLN A 12 -14.496 3.454 41.552 1.00 0.00 O ATOM 173 NE2 GLN A 12 -14.757 3.851 39.422 1.00 0.00 N ATOM 0 H GLN A 12 -19.394 4.230 38.873 1.00 0.00 H new ATOM 0 HA GLN A 12 -19.010 3.621 41.584 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -17.481 4.856 39.383 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -17.004 5.475 40.952 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -16.973 2.990 41.747 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.081 2.556 40.053 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -15.377 3.935 38.616 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -13.754 4.001 39.312 1.00 0.00 H new ATOM 182 N VAL A 13 -19.770 6.798 41.139 1.00 0.00 N ATOM 183 CA VAL A 13 -20.200 7.997 41.929 1.00 0.00 C ATOM 184 C VAL A 13 -21.334 7.569 42.862 1.00 0.00 C ATOM 185 O VAL A 13 -21.382 7.952 44.029 1.00 0.00 O ATOM 186 CB VAL A 13 -20.691 9.109 40.988 1.00 0.00 C ATOM 187 CG1 VAL A 13 -21.111 10.333 41.806 1.00 0.00 C ATOM 188 CG2 VAL A 13 -19.570 9.515 40.031 1.00 0.00 C ATOM 0 H VAL A 13 -19.843 6.891 40.126 1.00 0.00 H new ATOM 0 HA VAL A 13 -19.359 8.384 42.504 1.00 0.00 H new ATOM 0 HB VAL A 13 -21.542 8.735 40.419 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -21.458 11.118 41.134 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -21.916 10.057 42.487 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -20.259 10.697 42.380 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -19.926 10.303 39.368 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -18.717 9.880 40.603 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -19.267 8.652 39.439 1.00 0.00 H new ATOM 198 N HIS A 14 -22.228 6.752 42.375 1.00 0.00 N ATOM 199 CA HIS A 14 -23.343 6.255 43.225 1.00 0.00 C ATOM 200 C HIS A 14 -22.768 5.287 44.272 1.00 0.00 C ATOM 201 O HIS A 14 -23.044 5.403 45.467 1.00 0.00 O ATOM 202 CB HIS A 14 -24.353 5.520 42.337 1.00 0.00 C ATOM 203 CG HIS A 14 -25.175 6.518 41.572 1.00 0.00 C ATOM 204 ND1 HIS A 14 -26.558 6.470 41.549 1.00 0.00 N ATOM 205 CD2 HIS A 14 -24.825 7.597 40.798 1.00 0.00 C ATOM 206 CE1 HIS A 14 -26.987 7.493 40.784 1.00 0.00 C ATOM 207 NE2 HIS A 14 -25.971 8.210 40.301 1.00 0.00 N ATOM 0 H HIS A 14 -22.232 6.406 41.416 1.00 0.00 H new ATOM 0 HA HIS A 14 -23.840 7.085 43.728 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -23.830 4.859 41.646 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -25.001 4.893 42.949 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -23.813 7.921 40.604 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -28.027 7.707 40.586 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -26.023 9.031 39.697 1.00 0.00 H new ATOM 215 N GLU A 15 -21.967 4.342 43.840 1.00 0.00 N ATOM 216 CA GLU A 15 -21.356 3.357 44.789 1.00 0.00 C ATOM 217 C GLU A 15 -20.579 4.084 45.901 1.00 0.00 C ATOM 218 O GLU A 15 -20.668 3.724 47.078 1.00 0.00 O ATOM 219 CB GLU A 15 -20.395 2.442 44.020 1.00 0.00 C ATOM 220 CG GLU A 15 -21.183 1.522 43.069 1.00 0.00 C ATOM 221 CD GLU A 15 -20.481 1.428 41.711 1.00 0.00 C ATOM 222 OE1 GLU A 15 -19.278 1.226 41.694 1.00 0.00 O ATOM 223 OE2 GLU A 15 -21.161 1.550 40.710 1.00 0.00 O ATOM 0 H GLU A 15 -21.708 4.210 42.862 1.00 0.00 H new ATOM 0 HA GLU A 15 -22.154 2.769 45.244 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -19.686 3.043 43.451 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -19.814 1.842 44.720 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -21.274 0.528 43.507 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -22.194 1.906 42.937 1.00 0.00 H new ATOM 230 N ILE A 16 -19.819 5.097 45.564 1.00 0.00 N ATOM 231 CA ILE A 16 -19.049 5.832 46.617 1.00 0.00 C ATOM 232 C ILE A 16 -19.977 6.833 47.309 1.00 0.00 C ATOM 233 O ILE A 16 -19.924 7.014 48.524 1.00 0.00 O ATOM 234 CB ILE A 16 -17.868 6.575 45.976 1.00 0.00 C ATOM 235 CG1 ILE A 16 -16.974 5.585 45.220 1.00 0.00 C ATOM 236 CG2 ILE A 16 -17.041 7.265 47.064 1.00 0.00 C ATOM 237 CD1 ILE A 16 -16.555 4.442 46.150 1.00 0.00 C ATOM 0 H ILE A 16 -19.698 5.445 44.613 1.00 0.00 H new ATOM 0 HA ILE A 16 -18.664 5.123 47.350 1.00 0.00 H new ATOM 0 HB ILE A 16 -18.256 7.319 45.280 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -17.508 5.186 44.357 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -16.091 6.098 44.839 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -16.204 7.791 46.606 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -17.668 7.977 47.600 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -16.662 6.518 47.762 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -15.920 3.743 45.605 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -16.004 4.847 46.999 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -17.443 3.921 46.509 1.00 0.00 H new ATOM 249 N GLY A 17 -20.830 7.481 46.558 1.00 0.00 N ATOM 250 CA GLY A 17 -21.776 8.472 47.158 1.00 0.00 C ATOM 251 C GLY A 17 -22.626 7.796 48.237 1.00 0.00 C ATOM 252 O GLY A 17 -22.655 8.235 49.384 1.00 0.00 O ATOM 0 H GLY A 17 -20.913 7.366 45.548 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -21.219 9.304 47.590 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -22.420 8.888 46.383 1.00 0.00 H new ATOM 256 N ILE A 18 -23.309 6.733 47.897 1.00 0.00 N ATOM 257 CA ILE A 18 -24.153 6.021 48.915 1.00 0.00 C ATOM 258 C ILE A 18 -23.275 5.603 50.104 1.00 0.00 C ATOM 259 O ILE A 18 -23.600 5.861 51.262 1.00 0.00 O ATOM 260 CB ILE A 18 -24.787 4.773 48.280 1.00 0.00 C ATOM 261 CG1 ILE A 18 -25.650 5.175 47.083 1.00 0.00 C ATOM 262 CG2 ILE A 18 -25.676 4.063 49.303 1.00 0.00 C ATOM 263 CD1 ILE A 18 -26.032 3.921 46.297 1.00 0.00 C ATOM 0 H ILE A 18 -23.322 6.325 46.962 1.00 0.00 H new ATOM 0 HA ILE A 18 -24.942 6.688 49.262 1.00 0.00 H new ATOM 0 HB ILE A 18 -23.988 4.107 47.954 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -26.547 5.693 47.423 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -25.105 5.868 46.443 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -26.122 3.180 48.846 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -25.075 3.763 50.162 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -26.465 4.740 49.631 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -26.648 4.201 45.442 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -25.129 3.422 45.946 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -26.593 3.244 46.942 1.00 0.00 H new ATOM 275 N LYS A 19 -22.164 4.967 49.836 1.00 0.00 N ATOM 276 CA LYS A 19 -21.252 4.527 50.937 1.00 0.00 C ATOM 277 C LYS A 19 -20.727 5.743 51.726 1.00 0.00 C ATOM 278 O LYS A 19 -20.564 5.684 52.944 1.00 0.00 O ATOM 279 CB LYS A 19 -20.076 3.757 50.329 1.00 0.00 C ATOM 280 CG LYS A 19 -20.004 2.356 50.946 1.00 0.00 C ATOM 281 CD LYS A 19 -18.615 1.754 50.702 1.00 0.00 C ATOM 282 CE LYS A 19 -18.366 1.614 49.198 1.00 0.00 C ATOM 283 NZ LYS A 19 -18.147 0.176 48.868 1.00 0.00 N ATOM 0 H LYS A 19 -21.846 4.731 48.896 1.00 0.00 H new ATOM 0 HA LYS A 19 -21.804 3.885 51.624 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -20.196 3.683 49.248 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -19.145 4.293 50.510 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -20.205 2.409 52.016 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -20.770 1.716 50.509 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -17.850 2.389 51.149 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -18.541 0.779 51.184 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -19.217 2.002 48.639 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.497 2.203 48.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.977 0.076 47.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.322 -0.179 49.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -18.989 -0.373 49.134 1.00 0.00 H new ATOM 297 N ARG A 20 -20.453 6.838 51.064 1.00 0.00 N ATOM 298 CA ARG A 20 -19.933 8.046 51.782 1.00 0.00 C ATOM 299 C ARG A 20 -21.092 8.916 52.306 1.00 0.00 C ATOM 300 O ARG A 20 -20.908 10.100 52.593 1.00 0.00 O ATOM 301 CB ARG A 20 -19.071 8.871 50.819 1.00 0.00 C ATOM 302 CG ARG A 20 -17.731 8.165 50.593 1.00 0.00 C ATOM 303 CD ARG A 20 -16.765 9.117 49.888 1.00 0.00 C ATOM 304 NE ARG A 20 -15.990 9.878 50.917 1.00 0.00 N ATOM 305 CZ ARG A 20 -14.753 10.188 50.709 1.00 0.00 C ATOM 306 NH1 ARG A 20 -13.820 9.362 51.039 1.00 0.00 N ATOM 307 NH2 ARG A 20 -14.459 11.323 50.173 1.00 0.00 N ATOM 0 H ARG A 20 -20.566 6.950 50.057 1.00 0.00 H new ATOM 0 HA ARG A 20 -19.337 7.717 52.633 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -19.590 8.999 49.869 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -18.904 9.867 51.228 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -17.311 7.845 51.547 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -17.878 7.268 49.992 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -16.087 8.556 49.245 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -17.316 9.805 49.247 1.00 0.00 H new ATOM 0 HE ARG A 20 -16.441 10.154 51.789 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -14.059 8.466 51.463 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.843 9.605 50.876 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.202 11.973 49.915 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.484 11.571 50.007 1.00 0.00 H new ATOM 321 N ASN A 21 -22.276 8.361 52.442 1.00 0.00 N ATOM 322 CA ASN A 21 -23.440 9.158 52.952 1.00 0.00 C ATOM 323 C ASN A 21 -23.694 10.379 52.047 1.00 0.00 C ATOM 324 O ASN A 21 -24.091 11.448 52.511 1.00 0.00 O ATOM 325 CB ASN A 21 -23.140 9.623 54.385 1.00 0.00 C ATOM 326 CG ASN A 21 -24.381 9.450 55.259 1.00 0.00 C ATOM 327 OD1 ASN A 21 -24.879 10.406 55.838 1.00 0.00 O ATOM 328 ND2 ASN A 21 -24.912 8.273 55.393 1.00 0.00 N ATOM 0 H ASN A 21 -22.486 7.388 52.221 1.00 0.00 H new ATOM 0 HA ASN A 21 -24.333 8.533 52.946 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -22.311 9.047 54.797 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -22.831 10.668 54.380 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -25.739 8.150 55.978 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -24.503 7.471 54.913 1.00 0.00 H new ATOM 335 N MET A 22 -23.478 10.245 50.767 1.00 0.00 N ATOM 336 CA MET A 22 -23.707 11.395 49.845 1.00 0.00 C ATOM 337 C MET A 22 -25.058 11.232 49.137 1.00 0.00 C ATOM 338 O MET A 22 -25.427 10.142 48.705 1.00 0.00 O ATOM 339 CB MET A 22 -22.585 11.443 48.807 1.00 0.00 C ATOM 340 CG MET A 22 -21.234 11.592 49.514 1.00 0.00 C ATOM 341 SD MET A 22 -19.915 11.709 48.280 1.00 0.00 S ATOM 342 CE MET A 22 -19.392 13.398 48.662 1.00 0.00 C ATOM 0 H MET A 22 -23.153 9.388 50.319 1.00 0.00 H new ATOM 0 HA MET A 22 -23.714 12.322 50.418 1.00 0.00 H new ATOM 0 HB2 MET A 22 -22.593 10.534 48.206 1.00 0.00 H new ATOM 0 HB3 MET A 22 -22.743 12.278 48.124 1.00 0.00 H new ATOM 0 HG2 MET A 22 -21.237 12.482 50.143 1.00 0.00 H new ATOM 0 HG3 MET A 22 -21.059 10.739 50.169 1.00 0.00 H new ATOM 0 HE1 MET A 22 -19.154 13.923 47.737 1.00 0.00 H new ATOM 0 HE2 MET A 22 -20.197 13.920 49.179 1.00 0.00 H new ATOM 0 HE3 MET A 22 -18.509 13.370 49.301 1.00 0.00 H new ATOM 352 N THR A 23 -25.797 12.302 49.008 1.00 0.00 N ATOM 353 CA THR A 23 -27.133 12.235 48.327 1.00 0.00 C ATOM 354 C THR A 23 -26.982 11.690 46.906 1.00 0.00 C ATOM 355 O THR A 23 -27.686 10.768 46.504 1.00 0.00 O ATOM 356 CB THR A 23 -27.736 13.640 48.247 1.00 0.00 C ATOM 357 OG1 THR A 23 -26.700 14.581 47.999 1.00 0.00 O ATOM 358 CG2 THR A 23 -28.425 13.985 49.564 1.00 0.00 C ATOM 0 H THR A 23 -25.535 13.228 49.346 1.00 0.00 H new ATOM 0 HA THR A 23 -27.782 11.574 48.902 1.00 0.00 H new ATOM 0 HB THR A 23 -28.467 13.672 47.440 1.00 0.00 H new ATOM 0 HG1 THR A 23 -27.082 15.482 47.945 1.00 0.00 H new ATOM 0 HG21 THR A 23 -28.852 14.986 49.500 1.00 0.00 H new ATOM 0 HG22 THR A 23 -29.219 13.264 49.759 1.00 0.00 H new ATOM 0 HG23 THR A 23 -27.697 13.952 50.375 1.00 0.00 H new ATOM 366 N VAL A 24 -26.088 12.258 46.138 1.00 0.00 N ATOM 367 CA VAL A 24 -25.882 11.801 44.725 1.00 0.00 C ATOM 368 C VAL A 24 -27.170 12.040 43.920 1.00 0.00 C ATOM 369 O VAL A 24 -27.906 11.110 43.583 1.00 0.00 O ATOM 370 CB VAL A 24 -25.519 10.309 44.702 1.00 0.00 C ATOM 371 CG1 VAL A 24 -25.193 9.882 43.272 1.00 0.00 C ATOM 372 CG2 VAL A 24 -24.295 10.059 45.583 1.00 0.00 C ATOM 0 H VAL A 24 -25.485 13.027 46.430 1.00 0.00 H new ATOM 0 HA VAL A 24 -25.065 12.367 44.278 1.00 0.00 H new ATOM 0 HB VAL A 24 -26.365 9.734 45.077 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -24.936 8.823 43.258 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -26.060 10.053 42.635 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -24.350 10.465 42.901 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -24.042 8.999 45.563 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -23.452 10.640 45.208 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -24.516 10.360 46.607 1.00 0.00 H new ATOM 382 N HIS A 25 -27.466 13.272 43.609 1.00 0.00 N ATOM 383 CA HIS A 25 -28.709 13.564 42.832 1.00 0.00 C ATOM 384 C HIS A 25 -28.346 14.250 41.507 1.00 0.00 C ATOM 385 O HIS A 25 -27.741 15.325 41.485 1.00 0.00 O ATOM 386 CB HIS A 25 -29.631 14.479 43.647 1.00 0.00 C ATOM 387 CG HIS A 25 -30.049 13.812 44.933 1.00 0.00 C ATOM 388 ND1 HIS A 25 -29.873 12.457 45.172 1.00 0.00 N ATOM 389 CD2 HIS A 25 -30.642 14.314 46.064 1.00 0.00 C ATOM 390 CE1 HIS A 25 -30.352 12.197 46.403 1.00 0.00 C ATOM 391 NE2 HIS A 25 -30.832 13.294 46.989 1.00 0.00 N ATOM 0 H HIS A 25 -26.905 14.087 43.857 1.00 0.00 H new ATOM 0 HA HIS A 25 -29.225 12.627 42.624 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -29.118 15.415 43.868 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -30.514 14.730 43.059 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -29.457 11.781 44.532 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -30.920 15.347 46.213 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -30.348 11.219 46.860 1.00 0.00 H new ATOM 399 N PHE A 26 -28.713 13.652 40.407 1.00 0.00 N ATOM 400 CA PHE A 26 -28.408 14.256 39.074 1.00 0.00 C ATOM 401 C PHE A 26 -29.702 14.813 38.461 1.00 0.00 C ATOM 402 O PHE A 26 -30.696 14.101 38.321 1.00 0.00 O ATOM 403 CB PHE A 26 -27.824 13.178 38.151 1.00 0.00 C ATOM 404 CG PHE A 26 -26.433 12.805 38.613 1.00 0.00 C ATOM 405 CD1 PHE A 26 -25.324 13.497 38.117 1.00 0.00 C ATOM 406 CD2 PHE A 26 -26.253 11.762 39.529 1.00 0.00 C ATOM 407 CE1 PHE A 26 -24.035 13.149 38.537 1.00 0.00 C ATOM 408 CE2 PHE A 26 -24.964 11.414 39.950 1.00 0.00 C ATOM 409 CZ PHE A 26 -23.855 12.107 39.454 1.00 0.00 C ATOM 0 H PHE A 26 -29.215 12.765 40.372 1.00 0.00 H new ATOM 0 HA PHE A 26 -27.685 15.063 39.192 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -28.466 12.297 38.154 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -27.790 13.544 37.125 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -25.462 14.301 37.409 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -27.109 11.225 39.911 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -23.179 13.685 38.153 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -24.826 10.610 40.658 1.00 0.00 H new ATOM 0 HZ PHE A 26 -22.861 11.838 39.778 1.00 0.00 H new ATOM 419 N LYS A 27 -29.713 16.067 38.097 1.00 0.00 N ATOM 420 CA LYS A 27 -30.946 16.664 37.497 1.00 0.00 C ATOM 421 C LYS A 27 -30.561 17.653 36.391 1.00 0.00 C ATOM 422 O LYS A 27 -29.736 18.544 36.587 1.00 0.00 O ATOM 423 CB LYS A 27 -31.741 17.399 38.584 1.00 0.00 C ATOM 424 CG LYS A 27 -33.189 17.598 38.118 1.00 0.00 C ATOM 425 CD LYS A 27 -33.930 18.484 39.124 1.00 0.00 C ATOM 426 CE LYS A 27 -35.399 18.617 38.715 1.00 0.00 C ATOM 427 NZ LYS A 27 -35.874 19.998 39.031 1.00 0.00 N ATOM 0 H LYS A 27 -28.923 16.706 38.188 1.00 0.00 H new ATOM 0 HA LYS A 27 -31.558 15.869 37.071 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -31.722 16.827 39.512 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -31.281 18.364 38.795 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -33.205 18.059 37.130 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -33.689 16.634 38.028 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -33.859 18.054 40.123 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -33.465 19.469 39.167 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -35.512 18.416 37.650 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -36.004 17.881 39.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -36.872 20.094 38.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -35.779 20.173 40.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -35.302 20.690 38.507 1.00 0.00 H new ATOM 441 N VAL A 28 -31.149 17.526 35.236 1.00 0.00 N ATOM 442 CA VAL A 28 -30.825 18.473 34.130 1.00 0.00 C ATOM 443 C VAL A 28 -31.732 19.704 34.251 1.00 0.00 C ATOM 444 O VAL A 28 -32.897 19.603 34.639 1.00 0.00 O ATOM 445 CB VAL A 28 -31.041 17.784 32.779 1.00 0.00 C ATOM 446 CG1 VAL A 28 -30.573 18.704 31.653 1.00 0.00 C ATOM 447 CG2 VAL A 28 -30.226 16.492 32.728 1.00 0.00 C ATOM 0 H VAL A 28 -31.839 16.810 35.008 1.00 0.00 H new ATOM 0 HA VAL A 28 -29.782 18.783 34.198 1.00 0.00 H new ATOM 0 HB VAL A 28 -32.101 17.561 32.659 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -30.728 18.212 30.693 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -31.144 19.632 31.681 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -29.513 18.925 31.781 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -30.380 16.002 31.766 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -29.168 16.724 32.852 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -30.548 15.827 33.530 1.00 0.00 H new ATOM 457 N LEU A 29 -31.219 20.863 33.946 1.00 0.00 N ATOM 458 CA LEU A 29 -32.049 22.105 34.058 1.00 0.00 C ATOM 459 C LEU A 29 -32.741 22.384 32.721 1.00 0.00 C ATOM 460 O LEU A 29 -33.884 22.836 32.675 1.00 0.00 O ATOM 461 CB LEU A 29 -31.155 23.300 34.435 1.00 0.00 C ATOM 462 CG LEU A 29 -29.991 22.833 35.314 1.00 0.00 C ATOM 463 CD1 LEU A 29 -29.077 24.014 35.625 1.00 0.00 C ATOM 464 CD2 LEU A 29 -30.531 22.267 36.626 1.00 0.00 C ATOM 0 H LEU A 29 -30.262 21.009 33.624 1.00 0.00 H new ATOM 0 HA LEU A 29 -32.802 21.962 34.833 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -30.771 23.775 33.532 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -31.742 24.050 34.965 1.00 0.00 H new ATOM 0 HG LEU A 29 -29.432 22.063 34.783 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -28.250 23.679 36.251 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -28.685 24.426 34.695 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -29.642 24.783 36.152 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -29.700 21.936 37.249 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -31.093 23.039 37.151 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -31.186 21.422 36.415 1.00 0.00 H new ATOM 476 N ARG A 30 -32.066 22.126 31.636 1.00 0.00 N ATOM 477 CA ARG A 30 -32.672 22.372 30.293 1.00 0.00 C ATOM 478 C ARG A 30 -32.019 21.453 29.251 1.00 0.00 C ATOM 479 O ARG A 30 -30.792 21.398 29.127 1.00 0.00 O ATOM 480 CB ARG A 30 -32.455 23.840 29.900 1.00 0.00 C ATOM 481 CG ARG A 30 -33.754 24.630 30.112 1.00 0.00 C ATOM 482 CD ARG A 30 -33.677 25.414 31.427 1.00 0.00 C ATOM 483 NE ARG A 30 -33.160 26.793 31.159 1.00 0.00 N ATOM 484 CZ ARG A 30 -31.961 27.119 31.511 1.00 0.00 C ATOM 485 NH1 ARG A 30 -30.977 26.899 30.710 1.00 0.00 N ATOM 486 NH2 ARG A 30 -31.755 27.664 32.661 1.00 0.00 N ATOM 0 H ARG A 30 -31.117 21.754 31.619 1.00 0.00 H new ATOM 0 HA ARG A 30 -33.740 22.160 30.332 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -31.653 24.272 30.499 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -32.144 23.905 28.857 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -33.914 25.314 29.279 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -34.605 23.949 30.133 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -34.663 25.468 31.889 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -33.023 24.900 32.131 1.00 0.00 H new ATOM 0 HE ARG A 30 -33.757 27.478 30.696 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -31.146 26.469 29.801 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -30.029 27.155 30.985 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -32.538 27.837 33.291 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -30.809 27.922 32.941 1.00 0.00 H new ATOM 631 N PHE A 40 -27.189 21.064 26.345 1.00 0.00 N ATOM 632 CA PHE A 40 -27.846 20.460 27.548 1.00 0.00 C ATOM 633 C PHE A 40 -27.086 20.866 28.822 1.00 0.00 C ATOM 634 O PHE A 40 -25.856 20.834 28.870 1.00 0.00 O ATOM 635 CB PHE A 40 -27.834 18.936 27.404 1.00 0.00 C ATOM 636 CG PHE A 40 -28.527 18.542 26.120 1.00 0.00 C ATOM 637 CD1 PHE A 40 -27.832 18.583 24.906 1.00 0.00 C ATOM 638 CD2 PHE A 40 -29.866 18.143 26.144 1.00 0.00 C ATOM 639 CE1 PHE A 40 -28.477 18.225 23.716 1.00 0.00 C ATOM 640 CE2 PHE A 40 -30.513 17.786 24.954 1.00 0.00 C ATOM 641 CZ PHE A 40 -29.818 17.826 23.740 1.00 0.00 C ATOM 0 HA PHE A 40 -28.873 20.818 27.623 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -26.808 18.569 27.402 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -28.336 18.476 28.256 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -26.797 18.891 24.887 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -30.402 18.110 27.081 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -27.940 18.257 22.780 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -31.549 17.480 24.973 1.00 0.00 H new ATOM 0 HZ PHE A 40 -30.316 17.549 22.823 1.00 0.00 H new ATOM 651 N ILE A 41 -27.791 21.246 29.856 1.00 0.00 N ATOM 652 CA ILE A 41 -27.102 21.653 31.123 1.00 0.00 C ATOM 653 C ILE A 41 -27.433 20.651 32.245 1.00 0.00 C ATOM 654 O ILE A 41 -28.490 20.707 32.878 1.00 0.00 O ATOM 655 CB ILE A 41 -27.528 23.082 31.511 1.00 0.00 C ATOM 656 CG1 ILE A 41 -26.915 23.460 32.861 1.00 0.00 C ATOM 657 CG2 ILE A 41 -29.051 23.180 31.613 1.00 0.00 C ATOM 658 CD1 ILE A 41 -25.537 24.085 32.642 1.00 0.00 C ATOM 0 H ILE A 41 -28.810 21.293 29.881 1.00 0.00 H new ATOM 0 HA ILE A 41 -26.023 21.647 30.970 1.00 0.00 H new ATOM 0 HB ILE A 41 -27.175 23.765 30.738 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -27.565 24.162 33.383 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -26.828 22.576 33.493 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -29.333 24.196 31.888 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -29.497 22.927 30.651 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -29.410 22.486 32.373 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -25.102 24.354 33.605 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -24.888 23.368 32.138 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -25.637 24.979 32.027 1.00 0.00 H new ATOM 670 N THR A 42 -26.541 19.726 32.493 1.00 0.00 N ATOM 671 CA THR A 42 -26.781 18.699 33.560 1.00 0.00 C ATOM 672 C THR A 42 -26.295 19.211 34.915 1.00 0.00 C ATOM 673 O THR A 42 -25.111 19.485 35.099 1.00 0.00 O ATOM 674 CB THR A 42 -26.005 17.419 33.235 1.00 0.00 C ATOM 675 OG1 THR A 42 -26.213 17.050 31.881 1.00 0.00 O ATOM 676 CG2 THR A 42 -26.473 16.286 34.149 1.00 0.00 C ATOM 0 H THR A 42 -25.652 19.635 32.002 1.00 0.00 H new ATOM 0 HA THR A 42 -27.852 18.499 33.600 1.00 0.00 H new ATOM 0 HB THR A 42 -24.942 17.602 33.395 1.00 0.00 H new ATOM 0 HG1 THR A 42 -25.435 16.551 31.555 1.00 0.00 H new ATOM 0 HG21 THR A 42 -25.919 15.377 33.915 1.00 0.00 H new ATOM 0 HG22 THR A 42 -26.296 16.561 35.189 1.00 0.00 H new ATOM 0 HG23 THR A 42 -27.538 16.111 33.996 1.00 0.00 H new ATOM 684 N ALA A 43 -27.168 19.309 35.876 1.00 0.00 N ATOM 685 CA ALA A 43 -26.740 19.765 37.229 1.00 0.00 C ATOM 686 C ALA A 43 -26.650 18.540 38.152 1.00 0.00 C ATOM 687 O ALA A 43 -27.469 17.623 38.075 1.00 0.00 O ATOM 688 CB ALA A 43 -27.760 20.769 37.775 1.00 0.00 C ATOM 0 H ALA A 43 -28.161 19.093 35.785 1.00 0.00 H new ATOM 0 HA ALA A 43 -25.767 20.252 37.175 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -27.448 21.103 38.764 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -27.821 21.627 37.105 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -28.738 20.293 37.845 1.00 0.00 H new ATOM 694 N CYS A 44 -25.666 18.487 39.008 1.00 0.00 N ATOM 695 CA CYS A 44 -25.533 17.304 39.912 1.00 0.00 C ATOM 696 C CYS A 44 -25.193 17.758 41.338 1.00 0.00 C ATOM 697 O CYS A 44 -24.344 18.623 41.551 1.00 0.00 O ATOM 698 CB CYS A 44 -24.431 16.380 39.374 1.00 0.00 C ATOM 699 SG CYS A 44 -22.871 17.292 39.238 1.00 0.00 S ATOM 0 H CYS A 44 -24.951 19.206 39.122 1.00 0.00 H new ATOM 0 HA CYS A 44 -26.479 16.764 39.941 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -24.305 15.525 40.038 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -24.718 15.987 38.399 1.00 0.00 H new ATOM 0 HG CYS A 44 -23.121 18.551 39.029 1.00 0.00 H new ATOM 705 N ILE A 45 -25.839 17.188 42.320 1.00 0.00 N ATOM 706 CA ILE A 45 -25.555 17.580 43.736 1.00 0.00 C ATOM 707 C ILE A 45 -25.139 16.338 44.540 1.00 0.00 C ATOM 708 O ILE A 45 -25.760 15.275 44.454 1.00 0.00 O ATOM 709 CB ILE A 45 -26.804 18.227 44.354 1.00 0.00 C ATOM 710 CG1 ILE A 45 -26.506 18.653 45.794 1.00 0.00 C ATOM 711 CG2 ILE A 45 -27.966 17.234 44.356 1.00 0.00 C ATOM 712 CD1 ILE A 45 -27.647 19.530 46.313 1.00 0.00 C ATOM 0 H ILE A 45 -26.552 16.467 42.205 1.00 0.00 H new ATOM 0 HA ILE A 45 -24.740 18.303 43.759 1.00 0.00 H new ATOM 0 HB ILE A 45 -27.076 19.099 43.760 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -26.391 17.774 46.428 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -25.564 19.201 45.835 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -28.845 17.704 44.796 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -28.189 16.933 43.332 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -27.693 16.356 44.941 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -27.435 19.833 47.338 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -27.740 20.416 45.684 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -28.580 18.967 46.287 1.00 0.00 H new ATOM 724 N VAL A 46 -24.092 16.448 45.311 1.00 0.00 N ATOM 725 CA VAL A 46 -23.618 15.283 46.117 1.00 0.00 C ATOM 726 C VAL A 46 -23.426 15.709 47.581 1.00 0.00 C ATOM 727 O VAL A 46 -22.446 16.364 47.936 1.00 0.00 O ATOM 728 CB VAL A 46 -22.287 14.778 45.542 1.00 0.00 C ATOM 729 CG1 VAL A 46 -21.860 13.508 46.273 1.00 0.00 C ATOM 730 CG2 VAL A 46 -22.457 14.458 44.056 1.00 0.00 C ATOM 0 H VAL A 46 -23.540 17.299 45.419 1.00 0.00 H new ATOM 0 HA VAL A 46 -24.358 14.484 46.075 1.00 0.00 H new ATOM 0 HB VAL A 46 -21.529 15.551 45.670 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -20.915 13.152 45.862 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -21.736 13.723 47.334 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -22.623 12.740 46.145 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.511 14.100 43.650 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -23.219 13.688 43.934 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -22.763 15.358 43.523 1.00 0.00 H new ATOM 740 N GLY A 47 -24.352 15.359 48.437 1.00 0.00 N ATOM 741 CA GLY A 47 -24.237 15.746 49.880 1.00 0.00 C ATOM 742 C GLY A 47 -24.449 17.254 50.025 1.00 0.00 C ATOM 743 O GLY A 47 -25.551 17.759 49.832 1.00 0.00 O ATOM 0 H GLY A 47 -25.185 14.821 48.200 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -24.976 15.206 50.472 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -23.256 15.468 50.265 1.00 0.00 H new ATOM 747 N SER A 48 -23.418 17.980 50.361 1.00 0.00 N ATOM 748 CA SER A 48 -23.561 19.464 50.520 1.00 0.00 C ATOM 749 C SER A 48 -22.837 20.204 49.384 1.00 0.00 C ATOM 750 O SER A 48 -22.512 21.384 49.508 1.00 0.00 O ATOM 751 CB SER A 48 -22.962 19.890 51.863 1.00 0.00 C ATOM 752 OG SER A 48 -23.221 18.883 52.836 1.00 0.00 O ATOM 0 H SER A 48 -22.481 17.614 50.533 1.00 0.00 H new ATOM 0 HA SER A 48 -24.620 19.718 50.485 1.00 0.00 H new ATOM 0 HB2 SER A 48 -21.888 20.046 51.762 1.00 0.00 H new ATOM 0 HB3 SER A 48 -23.393 20.839 52.182 1.00 0.00 H new ATOM 0 HG SER A 48 -22.837 19.153 53.696 1.00 0.00 H new ATOM 758 N ILE A 49 -22.577 19.547 48.280 1.00 0.00 N ATOM 759 CA ILE A 49 -21.873 20.230 47.148 1.00 0.00 C ATOM 760 C ILE A 49 -22.676 20.059 45.848 1.00 0.00 C ATOM 761 O ILE A 49 -23.140 18.966 45.522 1.00 0.00 O ATOM 762 CB ILE A 49 -20.474 19.623 46.975 1.00 0.00 C ATOM 763 CG1 ILE A 49 -19.657 19.840 48.251 1.00 0.00 C ATOM 764 CG2 ILE A 49 -19.757 20.302 45.805 1.00 0.00 C ATOM 765 CD1 ILE A 49 -18.360 19.034 48.169 1.00 0.00 C ATOM 0 H ILE A 49 -22.821 18.571 48.113 1.00 0.00 H new ATOM 0 HA ILE A 49 -21.784 21.293 47.372 1.00 0.00 H new ATOM 0 HB ILE A 49 -20.573 18.556 46.777 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -19.432 20.899 48.376 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -20.235 19.532 49.122 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -18.764 19.868 45.686 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -20.331 20.152 44.890 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -19.665 21.370 46.005 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -17.778 19.188 49.077 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -18.596 17.975 48.064 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -17.781 19.364 47.307 1.00 0.00 H new ATOM 777 N VAL A 50 -22.839 21.116 45.094 1.00 0.00 N ATOM 778 CA VAL A 50 -23.601 21.017 43.806 1.00 0.00 C ATOM 779 C VAL A 50 -22.708 21.489 42.653 1.00 0.00 C ATOM 780 O VAL A 50 -21.897 22.402 42.807 1.00 0.00 O ATOM 781 CB VAL A 50 -24.861 21.895 43.853 1.00 0.00 C ATOM 782 CG1 VAL A 50 -25.946 21.274 42.976 1.00 0.00 C ATOM 783 CG2 VAL A 50 -25.389 21.999 45.285 1.00 0.00 C ATOM 0 H VAL A 50 -22.478 22.045 45.312 1.00 0.00 H new ATOM 0 HA VAL A 50 -23.898 19.979 43.655 1.00 0.00 H new ATOM 0 HB VAL A 50 -24.603 22.890 43.491 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -26.840 21.896 43.009 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -25.589 21.206 41.949 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -26.184 20.276 43.344 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -26.282 22.625 45.299 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -25.637 21.004 45.654 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -24.625 22.443 45.923 1.00 0.00 H new ATOM 793 N THR A 51 -22.846 20.888 41.505 1.00 0.00 N ATOM 794 CA THR A 51 -22.005 21.294 40.334 1.00 0.00 C ATOM 795 C THR A 51 -22.838 21.252 39.046 1.00 0.00 C ATOM 796 O THR A 51 -23.584 20.303 38.794 1.00 0.00 O ATOM 797 CB THR A 51 -20.814 20.336 40.202 1.00 0.00 C ATOM 798 OG1 THR A 51 -20.025 20.406 41.379 1.00 0.00 O ATOM 799 CG2 THR A 51 -19.953 20.736 39.006 1.00 0.00 C ATOM 0 H THR A 51 -23.505 20.131 41.322 1.00 0.00 H new ATOM 0 HA THR A 51 -21.644 22.310 40.492 1.00 0.00 H new ATOM 0 HB THR A 51 -21.187 19.322 40.058 1.00 0.00 H new ATOM 0 HG1 THR A 51 -19.879 19.502 41.729 1.00 0.00 H new ATOM 0 HG21 THR A 51 -19.110 20.051 38.919 1.00 0.00 H new ATOM 0 HG22 THR A 51 -20.551 20.692 38.096 1.00 0.00 H new ATOM 0 HG23 THR A 51 -19.583 21.751 39.148 1.00 0.00 H new ATOM 807 N GLU A 52 -22.720 22.261 38.224 1.00 0.00 N ATOM 808 CA GLU A 52 -23.494 22.292 36.945 1.00 0.00 C ATOM 809 C GLU A 52 -22.585 21.862 35.782 1.00 0.00 C ATOM 810 O GLU A 52 -21.394 22.175 35.750 1.00 0.00 O ATOM 811 CB GLU A 52 -24.011 23.714 36.704 1.00 0.00 C ATOM 812 CG GLU A 52 -25.427 23.850 37.282 1.00 0.00 C ATOM 813 CD GLU A 52 -25.879 25.310 37.219 1.00 0.00 C ATOM 814 OE1 GLU A 52 -26.347 25.719 36.170 1.00 0.00 O ATOM 815 OE2 GLU A 52 -25.752 25.989 38.223 1.00 0.00 O ATOM 0 H GLU A 52 -22.118 23.069 38.383 1.00 0.00 H new ATOM 0 HA GLU A 52 -24.338 21.605 37.009 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -23.345 24.439 37.172 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -24.020 23.933 35.636 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -26.119 23.222 36.722 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -25.443 23.500 38.314 1.00 0.00 H new ATOM 822 N GLY A 53 -23.117 21.141 34.832 1.00 0.00 N ATOM 823 CA GLY A 53 -22.286 20.681 33.675 1.00 0.00 C ATOM 824 C GLY A 53 -22.944 21.096 32.359 1.00 0.00 C ATOM 825 O GLY A 53 -23.753 20.356 31.795 1.00 0.00 O ATOM 0 H GLY A 53 -24.094 20.848 34.805 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -21.286 21.110 33.742 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -22.171 19.598 33.708 1.00 0.00 H new ATOM 829 N GLU A 54 -22.617 22.260 31.858 1.00 0.00 N ATOM 830 CA GLU A 54 -23.221 22.731 30.575 1.00 0.00 C ATOM 831 C GLU A 54 -22.708 21.883 29.397 1.00 0.00 C ATOM 832 O GLU A 54 -21.885 22.320 28.597 1.00 0.00 O ATOM 833 CB GLU A 54 -22.878 24.217 30.349 1.00 0.00 C ATOM 834 CG GLU A 54 -21.383 24.494 30.614 1.00 0.00 C ATOM 835 CD GLU A 54 -20.672 24.853 29.304 1.00 0.00 C ATOM 836 OE1 GLU A 54 -20.999 25.871 28.731 1.00 0.00 O ATOM 837 OE2 GLU A 54 -19.805 24.096 28.898 1.00 0.00 O ATOM 0 H GLU A 54 -21.954 22.907 32.285 1.00 0.00 H new ATOM 0 HA GLU A 54 -24.304 22.621 30.635 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -23.126 24.498 29.326 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -23.487 24.837 31.007 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -21.278 25.310 31.329 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -20.916 23.616 31.061 1.00 0.00 H new ATOM 844 N GLY A 55 -23.182 20.671 29.268 1.00 0.00 N ATOM 845 CA GLY A 55 -22.731 19.802 28.133 1.00 0.00 C ATOM 846 C GLY A 55 -23.247 20.389 26.814 1.00 0.00 C ATOM 847 O GLY A 55 -24.225 19.912 26.246 1.00 0.00 O ATOM 0 H GLY A 55 -23.861 20.243 29.897 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -21.643 19.740 28.117 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -23.106 18.787 28.265 1.00 0.00 H new ATOM 943 N LYS A 62 -24.903 15.163 30.961 1.00 0.00 N ATOM 944 CA LYS A 62 -25.155 13.908 31.743 1.00 0.00 C ATOM 945 C LYS A 62 -23.799 13.279 32.106 1.00 0.00 C ATOM 946 O LYS A 62 -23.543 12.953 33.261 1.00 0.00 O ATOM 947 CB LYS A 62 -26.029 12.940 30.924 1.00 0.00 C ATOM 948 CG LYS A 62 -27.248 13.707 30.387 1.00 0.00 C ATOM 949 CD LYS A 62 -28.222 12.743 29.701 1.00 0.00 C ATOM 950 CE LYS A 62 -29.236 13.543 28.874 1.00 0.00 C ATOM 951 NZ LYS A 62 -30.522 13.635 29.624 1.00 0.00 N ATOM 0 HA LYS A 62 -25.697 14.134 32.661 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -25.455 12.519 30.099 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -26.352 12.105 31.546 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -27.751 14.222 31.205 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -26.923 14.471 29.681 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -27.675 12.053 29.058 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -28.740 12.140 30.447 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -28.849 14.541 28.670 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -29.398 13.060 27.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -31.212 14.177 29.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -30.892 12.679 29.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -30.360 14.114 30.533 1.00 0.00 H new ATOM 965 N LYS A 63 -22.910 13.148 31.152 1.00 0.00 N ATOM 966 CA LYS A 63 -21.554 12.585 31.447 1.00 0.00 C ATOM 967 C LYS A 63 -20.616 13.728 31.890 1.00 0.00 C ATOM 968 O LYS A 63 -20.032 13.691 32.970 1.00 0.00 O ATOM 969 CB LYS A 63 -20.989 11.915 30.180 1.00 0.00 C ATOM 970 CG LYS A 63 -19.496 11.633 30.380 1.00 0.00 C ATOM 971 CD LYS A 63 -19.045 10.471 29.487 1.00 0.00 C ATOM 972 CE LYS A 63 -17.562 10.175 29.745 1.00 0.00 C ATOM 973 NZ LYS A 63 -16.728 11.290 29.206 1.00 0.00 N ATOM 0 H LYS A 63 -23.065 13.408 30.178 1.00 0.00 H new ATOM 0 HA LYS A 63 -21.629 11.844 32.243 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -21.522 10.986 29.977 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -21.136 12.563 29.316 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -18.917 12.526 30.145 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -19.302 11.393 31.425 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -19.645 9.585 29.694 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -19.200 10.723 28.438 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.385 10.059 30.814 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -17.281 9.235 29.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.786 11.263 29.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -16.632 11.185 28.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -17.184 12.200 29.420 1.00 0.00 H new ATOM 987 N ARG A 64 -20.472 14.736 31.062 1.00 0.00 N ATOM 988 CA ARG A 64 -19.579 15.904 31.384 1.00 0.00 C ATOM 989 C ARG A 64 -19.827 16.431 32.813 1.00 0.00 C ATOM 990 O ARG A 64 -18.888 16.713 33.557 1.00 0.00 O ATOM 991 CB ARG A 64 -19.860 17.025 30.370 1.00 0.00 C ATOM 992 CG ARG A 64 -19.048 18.276 30.738 1.00 0.00 C ATOM 993 CD ARG A 64 -18.535 18.956 29.466 1.00 0.00 C ATOM 994 NE ARG A 64 -17.937 20.282 29.820 1.00 0.00 N ATOM 995 CZ ARG A 64 -18.539 21.381 29.494 1.00 0.00 C ATOM 996 NH1 ARG A 64 -19.684 21.660 29.999 1.00 0.00 N ATOM 997 NH2 ARG A 64 -17.993 22.198 28.666 1.00 0.00 N ATOM 0 H ARG A 64 -20.943 14.803 30.160 1.00 0.00 H new ATOM 0 HA ARG A 64 -18.541 15.577 31.326 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -19.598 16.693 29.365 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -20.924 17.261 30.361 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -19.668 18.969 31.306 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -18.209 18.001 31.377 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -17.790 18.327 28.979 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -19.352 19.090 28.757 1.00 0.00 H new ATOM 0 HE ARG A 64 -17.049 20.320 30.321 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -20.121 21.016 30.658 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -20.158 22.526 29.742 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -17.081 21.982 28.262 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -18.471 23.063 28.412 1.00 0.00 H new ATOM 1011 N ALA A 65 -21.068 16.591 33.198 1.00 0.00 N ATOM 1012 CA ALA A 65 -21.375 17.123 34.567 1.00 0.00 C ATOM 1013 C ALA A 65 -20.888 16.145 35.653 1.00 0.00 C ATOM 1014 O ALA A 65 -20.373 16.555 36.694 1.00 0.00 O ATOM 1015 CB ALA A 65 -22.888 17.324 34.697 1.00 0.00 C ATOM 0 H ALA A 65 -21.884 16.377 32.625 1.00 0.00 H new ATOM 0 HA ALA A 65 -20.858 18.073 34.703 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -23.120 17.711 35.689 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -23.227 18.034 33.943 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -23.396 16.370 34.551 1.00 0.00 H new ATOM 1021 N ALA A 66 -21.042 14.866 35.430 1.00 0.00 N ATOM 1022 CA ALA A 66 -20.597 13.858 36.439 1.00 0.00 C ATOM 1023 C ALA A 66 -19.063 13.798 36.477 1.00 0.00 C ATOM 1024 O ALA A 66 -18.451 13.856 37.546 1.00 0.00 O ATOM 1025 CB ALA A 66 -21.153 12.490 36.045 1.00 0.00 C ATOM 0 H ALA A 66 -21.460 14.473 34.586 1.00 0.00 H new ATOM 0 HA ALA A 66 -20.963 14.140 37.426 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -20.835 11.744 36.774 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -22.242 12.533 36.021 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -20.779 12.216 35.059 1.00 0.00 H new ATOM 1031 N GLU A 67 -18.437 13.685 35.332 1.00 0.00 N ATOM 1032 CA GLU A 67 -16.941 13.621 35.280 1.00 0.00 C ATOM 1033 C GLU A 67 -16.341 14.759 36.101 1.00 0.00 C ATOM 1034 O GLU A 67 -15.523 14.542 36.998 1.00 0.00 O ATOM 1035 CB GLU A 67 -16.480 13.751 33.830 1.00 0.00 C ATOM 1036 CG GLU A 67 -16.628 12.396 33.132 1.00 0.00 C ATOM 1037 CD GLU A 67 -16.297 12.531 31.649 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -17.033 13.210 30.951 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -15.327 11.928 31.220 1.00 0.00 O ATOM 0 H GLU A 67 -18.900 13.634 34.425 1.00 0.00 H new ATOM 0 HA GLU A 67 -16.610 12.668 35.691 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -17.072 14.506 33.314 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.442 14.081 33.794 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -15.965 11.665 33.595 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.646 12.025 33.253 1.00 0.00 H new ATOM 1046 N LYS A 68 -16.735 15.968 35.816 1.00 0.00 N ATOM 1047 CA LYS A 68 -16.198 17.129 36.580 1.00 0.00 C ATOM 1048 C LYS A 68 -16.478 16.925 38.079 1.00 0.00 C ATOM 1049 O LYS A 68 -15.594 17.108 38.905 1.00 0.00 O ATOM 1050 CB LYS A 68 -16.856 18.425 36.081 1.00 0.00 C ATOM 1051 CG LYS A 68 -16.502 19.584 37.021 1.00 0.00 C ATOM 1052 CD LYS A 68 -15.942 20.759 36.211 1.00 0.00 C ATOM 1053 CE LYS A 68 -15.754 21.968 37.130 1.00 0.00 C ATOM 1054 NZ LYS A 68 -14.304 22.310 37.211 1.00 0.00 N ATOM 0 H LYS A 68 -17.407 16.203 35.086 1.00 0.00 H new ATOM 0 HA LYS A 68 -15.121 17.205 36.428 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -16.518 18.649 35.069 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -17.938 18.300 36.035 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -17.387 19.900 37.572 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -15.768 19.256 37.757 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.990 20.482 35.758 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.622 21.010 35.397 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -16.319 22.819 36.749 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -16.143 21.747 38.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -14.098 22.732 38.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.736 21.447 37.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.065 22.990 36.461 1.00 0.00 H new ATOM 1068 N MET A 69 -17.678 16.532 38.446 1.00 0.00 N ATOM 1069 CA MET A 69 -17.991 16.310 39.900 1.00 0.00 C ATOM 1070 C MET A 69 -16.902 15.429 40.539 1.00 0.00 C ATOM 1071 O MET A 69 -16.333 15.776 41.574 1.00 0.00 O ATOM 1072 CB MET A 69 -19.366 15.633 40.033 1.00 0.00 C ATOM 1073 CG MET A 69 -19.798 15.600 41.506 1.00 0.00 C ATOM 1074 SD MET A 69 -19.783 17.281 42.181 1.00 0.00 S ATOM 1075 CE MET A 69 -21.561 17.434 42.487 1.00 0.00 C ATOM 0 H MET A 69 -18.452 16.356 37.805 1.00 0.00 H new ATOM 0 HA MET A 69 -18.015 17.270 40.416 1.00 0.00 H new ATOM 0 HB2 MET A 69 -20.105 16.174 39.441 1.00 0.00 H new ATOM 0 HB3 MET A 69 -19.320 14.619 39.637 1.00 0.00 H new ATOM 0 HG2 MET A 69 -20.796 15.171 41.593 1.00 0.00 H new ATOM 0 HG3 MET A 69 -19.125 14.961 42.079 1.00 0.00 H new ATOM 0 HE1 MET A 69 -21.918 18.384 42.089 1.00 0.00 H new ATOM 0 HE2 MET A 69 -22.086 16.614 41.997 1.00 0.00 H new ATOM 0 HE3 MET A 69 -21.750 17.396 43.560 1.00 0.00 H new ATOM 1085 N LEU A 70 -16.589 14.309 39.937 1.00 0.00 N ATOM 1086 CA LEU A 70 -15.522 13.424 40.505 1.00 0.00 C ATOM 1087 C LEU A 70 -14.161 14.132 40.427 1.00 0.00 C ATOM 1088 O LEU A 70 -13.348 14.055 41.348 1.00 0.00 O ATOM 1089 CB LEU A 70 -15.450 12.124 39.699 1.00 0.00 C ATOM 1090 CG LEU A 70 -16.752 11.341 39.845 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -16.612 10.004 39.122 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -17.036 11.085 41.326 1.00 0.00 C ATOM 0 H LEU A 70 -17.024 13.969 39.079 1.00 0.00 H new ATOM 0 HA LEU A 70 -15.762 13.204 41.545 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.268 12.349 38.648 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.612 11.519 40.045 1.00 0.00 H new ATOM 0 HG LEU A 70 -17.573 11.914 39.414 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -17.538 9.438 39.221 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.406 10.181 38.066 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -15.791 9.437 39.561 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -17.966 10.526 41.427 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -16.218 10.509 41.759 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -17.127 12.037 41.849 1.00 0.00 H new ATOM 1104 N VAL A 71 -13.897 14.810 39.341 1.00 0.00 N ATOM 1105 CA VAL A 71 -12.589 15.521 39.185 1.00 0.00 C ATOM 1106 C VAL A 71 -12.423 16.581 40.284 1.00 0.00 C ATOM 1107 O VAL A 71 -11.370 16.682 40.913 1.00 0.00 O ATOM 1108 CB VAL A 71 -12.547 16.180 37.802 1.00 0.00 C ATOM 1109 CG1 VAL A 71 -11.326 17.092 37.692 1.00 0.00 C ATOM 1110 CG2 VAL A 71 -12.454 15.091 36.733 1.00 0.00 C ATOM 0 H VAL A 71 -14.534 14.904 38.550 1.00 0.00 H new ATOM 0 HA VAL A 71 -11.771 14.806 39.277 1.00 0.00 H new ATOM 0 HB VAL A 71 -13.451 16.772 37.660 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -11.306 17.555 36.706 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.381 17.867 38.456 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -10.419 16.505 37.836 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -12.424 15.552 35.746 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.548 14.505 36.888 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.324 14.438 36.802 1.00 0.00 H new ATOM 1120 N GLU A 72 -13.439 17.360 40.536 1.00 0.00 N ATOM 1121 CA GLU A 72 -13.339 18.405 41.600 1.00 0.00 C ATOM 1122 C GLU A 72 -13.361 17.729 42.979 1.00 0.00 C ATOM 1123 O GLU A 72 -12.537 18.021 43.842 1.00 0.00 O ATOM 1124 CB GLU A 72 -14.514 19.394 41.493 1.00 0.00 C ATOM 1125 CG GLU A 72 -14.847 19.697 40.020 1.00 0.00 C ATOM 1126 CD GLU A 72 -13.988 20.845 39.500 1.00 0.00 C ATOM 1127 OE1 GLU A 72 -14.322 21.985 39.777 1.00 0.00 O ATOM 1128 OE2 GLU A 72 -13.039 20.574 38.784 1.00 0.00 O ATOM 0 H GLU A 72 -14.336 17.320 40.052 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.406 18.954 41.471 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -15.391 18.978 41.990 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.263 20.320 42.011 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.680 18.807 39.413 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.902 19.954 39.926 1.00 0.00 H new ATOM 1135 N LEU A 73 -14.280 16.823 43.204 1.00 0.00 N ATOM 1136 CA LEU A 73 -14.347 16.125 44.530 1.00 0.00 C ATOM 1137 C LEU A 73 -13.021 15.409 44.823 1.00 0.00 C ATOM 1138 O LEU A 73 -12.579 15.343 45.968 1.00 0.00 O ATOM 1139 CB LEU A 73 -15.486 15.103 44.514 1.00 0.00 C ATOM 1140 CG LEU A 73 -16.836 15.822 44.532 1.00 0.00 C ATOM 1141 CD1 LEU A 73 -17.954 14.787 44.512 1.00 0.00 C ATOM 1142 CD2 LEU A 73 -16.963 16.666 45.799 1.00 0.00 C ATOM 0 H LEU A 73 -14.988 16.535 42.528 1.00 0.00 H new ATOM 0 HA LEU A 73 -14.529 16.865 45.309 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -15.411 14.476 43.625 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -15.405 14.443 45.377 1.00 0.00 H new ATOM 0 HG LEU A 73 -16.907 16.470 43.658 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -18.919 15.294 44.525 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -17.874 14.182 43.609 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -17.870 14.144 45.388 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -17.927 17.174 45.803 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -16.889 16.021 46.675 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -16.163 17.406 45.825 1.00 0.00 H new ATOM 1154 N GLN A 74 -12.373 14.873 43.820 1.00 0.00 N ATOM 1155 CA GLN A 74 -11.073 14.174 44.063 1.00 0.00 C ATOM 1156 C GLN A 74 -9.935 15.204 44.158 1.00 0.00 C ATOM 1157 O GLN A 74 -8.845 14.899 44.636 1.00 0.00 O ATOM 1158 CB GLN A 74 -10.797 13.190 42.919 1.00 0.00 C ATOM 1159 CG GLN A 74 -11.756 11.997 43.043 1.00 0.00 C ATOM 1160 CD GLN A 74 -11.296 10.845 42.148 1.00 0.00 C ATOM 1161 OE1 GLN A 74 -10.992 9.763 42.631 1.00 0.00 O ATOM 1162 NE2 GLN A 74 -11.239 11.009 40.862 1.00 0.00 N ATOM 0 H GLN A 74 -12.685 14.888 42.849 1.00 0.00 H new ATOM 0 HA GLN A 74 -11.129 13.624 45.002 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.933 13.684 41.957 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.763 12.847 42.958 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -11.800 11.664 44.080 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -12.764 12.303 42.763 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -11.491 11.908 40.451 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -10.943 10.239 40.262 1.00 0.00 H new ATOM 1171 N LYS A 75 -10.166 16.415 43.724 1.00 0.00 N ATOM 1172 CA LYS A 75 -9.104 17.459 43.801 1.00 0.00 C ATOM 1173 C LYS A 75 -9.329 18.344 45.034 1.00 0.00 C ATOM 1174 O LYS A 75 -8.369 18.789 45.667 1.00 0.00 O ATOM 1175 CB LYS A 75 -9.161 18.327 42.536 1.00 0.00 C ATOM 1176 CG LYS A 75 -7.742 18.691 42.067 1.00 0.00 C ATOM 1177 CD LYS A 75 -7.012 19.531 43.131 1.00 0.00 C ATOM 1178 CE LYS A 75 -7.877 20.726 43.556 1.00 0.00 C ATOM 1179 NZ LYS A 75 -7.663 21.003 45.006 1.00 0.00 N ATOM 0 H LYS A 75 -11.048 16.726 43.318 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.129 16.978 43.879 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.686 17.792 41.744 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.728 19.236 42.737 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.177 17.781 41.865 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.795 19.248 41.131 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.784 18.912 43.999 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.061 19.885 42.734 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.618 21.604 42.965 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.929 20.513 43.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.356 21.708 45.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.783 20.124 45.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.701 21.371 45.151 1.00 0.00 H new ATOM 1193 N LEU A 76 -10.570 18.603 45.375 1.00 0.00 N ATOM 1194 CA LEU A 76 -10.895 19.455 46.541 1.00 0.00 C ATOM 1195 C LEU A 76 -10.026 20.739 46.518 1.00 0.00 C ATOM 1196 O LEU A 76 -10.186 21.518 45.586 1.00 0.00 O ATOM 1197 CB LEU A 76 -10.669 18.624 47.799 1.00 0.00 C ATOM 1198 CG LEU A 76 -12.008 18.134 48.351 1.00 0.00 C ATOM 1199 CD1 LEU A 76 -11.752 17.123 49.463 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -12.792 19.317 48.919 1.00 0.00 C ATOM 1201 OXT LEU A 76 -9.205 20.927 47.403 1.00 0.00 O ATOM 0 H LEU A 76 -11.384 18.246 44.875 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.934 19.783 46.516 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.027 17.773 47.572 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -10.153 19.221 48.551 1.00 0.00 H new ATOM 0 HG LEU A 76 -12.582 17.668 47.551 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -12.704 16.770 49.860 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.190 16.278 49.065 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -11.179 17.596 50.260 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -13.746 18.966 49.312 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -12.218 19.782 49.721 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -12.971 20.047 48.130 1.00 0.00 H new