USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 620 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 74 GLN : amide:sc= -0.0186 X(o=0.019,f=-0.36) USER MOD Set 1.2: A 75 SER OG : rot 47:sc= 0.0374 USER MOD Set 2.1: A 17 HIS : no HD1:sc= 0.632 K(o=1.4,f=-0.89) USER MOD Set 2.2: A 94 SER OG : rot -87:sc= 0.741 USER MOD Single : A 11 THR OG1 : rot -30:sc= 0.111 USER MOD Single : A 12 SER OG : rot 15:sc= 0.378 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0.47) USER MOD Single : A 45 HIS : no HE2:sc= -0.706 K(o=-0.71,f=-5.8!) USER MOD Single : A 46 LYS NZ :NH3+ 176:sc= -0.0497 (180deg=-0.0942) USER MOD Single : A 54 SER OG : rot -85:sc= 1.77 USER MOD Single : A 59 CYS SG : rot -16:sc= -0.39 USER MOD Single : A 61 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 72 ASN : amide:sc= -2.08! C(o=-2.1!,f=-3.7!) USER MOD Single : A 78 ASN : amide:sc= -0.0017 K(o=-0.0017,f=-0.94) USER MOD Single : A 79 MET CE :methyl 165:sc= -0.451 (180deg=-1.2) USER MOD Single : A 81 HIS : no HE2:sc= 0.205 K(o=0.21,f=-1.4) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 113 N THR A 11 -8.727 -11.256 -9.080 1.00 0.00 N ATOM 114 CA THR A 11 -8.200 -10.169 -8.275 1.00 0.00 C ATOM 115 C THR A 11 -8.990 -8.903 -8.642 1.00 0.00 C ATOM 116 O THR A 11 -9.818 -8.928 -9.559 1.00 0.00 O ATOM 117 CB THR A 11 -6.672 -10.062 -8.485 1.00 0.00 C ATOM 118 OG1 THR A 11 -6.308 -9.964 -9.852 1.00 0.00 O ATOM 119 CG2 THR A 11 -5.949 -11.301 -7.948 1.00 0.00 C ATOM 0 HA THR A 11 -8.328 -10.335 -7.205 1.00 0.00 H new ATOM 0 HB THR A 11 -6.382 -9.157 -7.951 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.970 -10.433 -10.401 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.876 -11.195 -8.111 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.146 -11.403 -6.881 1.00 0.00 H new ATOM 0 HG23 THR A 11 -6.309 -12.187 -8.470 1.00 0.00 H new ATOM 127 N SER A 12 -8.831 -7.815 -7.897 1.00 0.00 N ATOM 128 CA SER A 12 -9.255 -6.489 -8.313 1.00 0.00 C ATOM 129 C SER A 12 -8.163 -5.492 -7.927 1.00 0.00 C ATOM 130 O SER A 12 -7.304 -5.796 -7.096 1.00 0.00 O ATOM 131 CB SER A 12 -10.600 -6.180 -7.657 1.00 0.00 C ATOM 132 OG SER A 12 -11.625 -6.912 -8.309 1.00 0.00 O ATOM 0 H SER A 12 -8.397 -7.833 -6.974 1.00 0.00 H new ATOM 0 HA SER A 12 -9.396 -6.424 -9.392 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.569 -6.441 -6.599 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.808 -5.112 -7.716 1.00 0.00 H new ATOM 0 HG SER A 12 -11.224 -7.619 -8.857 1.00 0.00 H new ATOM 138 N ASP A 13 -8.203 -4.314 -8.538 1.00 0.00 N ATOM 139 CA ASP A 13 -7.171 -3.290 -8.563 1.00 0.00 C ATOM 140 C ASP A 13 -7.846 -1.965 -8.227 1.00 0.00 C ATOM 141 O ASP A 13 -8.480 -1.322 -9.061 1.00 0.00 O ATOM 142 CB ASP A 13 -6.438 -3.281 -9.920 1.00 0.00 C ATOM 143 CG ASP A 13 -7.274 -2.780 -11.108 1.00 0.00 C ATOM 144 OD1 ASP A 13 -8.273 -3.442 -11.472 1.00 0.00 O ATOM 145 OD2 ASP A 13 -6.924 -1.732 -11.704 1.00 0.00 O ATOM 0 H ASP A 13 -9.025 -4.030 -9.071 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.393 -3.486 -7.825 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.549 -2.656 -9.831 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.096 -4.293 -10.137 1.00 0.00 H new ATOM 150 N VAL A 14 -7.794 -1.578 -6.958 1.00 0.00 N ATOM 151 CA VAL A 14 -8.452 -0.370 -6.495 1.00 0.00 C ATOM 152 C VAL A 14 -7.414 0.743 -6.550 1.00 0.00 C ATOM 153 O VAL A 14 -6.599 0.872 -5.634 1.00 0.00 O ATOM 154 CB VAL A 14 -9.085 -0.598 -5.107 1.00 0.00 C ATOM 155 CG1 VAL A 14 -9.955 0.606 -4.743 1.00 0.00 C ATOM 156 CG2 VAL A 14 -9.961 -1.865 -5.079 1.00 0.00 C ATOM 0 H VAL A 14 -7.298 -2.090 -6.229 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.292 -0.081 -7.127 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.274 -0.724 -4.389 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.404 0.447 -3.762 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.340 1.506 -4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.742 0.724 -5.487 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.388 -1.990 -4.084 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.764 -1.768 -5.809 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.351 -2.735 -5.324 1.00 0.00 H new ATOM 166 N VAL A 15 -7.397 1.497 -7.649 1.00 0.00 N ATOM 167 CA VAL A 15 -6.570 2.686 -7.770 1.00 0.00 C ATOM 168 C VAL A 15 -7.286 3.841 -7.066 1.00 0.00 C ATOM 169 O VAL A 15 -8.480 4.050 -7.295 1.00 0.00 O ATOM 170 CB VAL A 15 -6.194 2.942 -9.243 1.00 0.00 C ATOM 171 CG1 VAL A 15 -7.351 3.439 -10.120 1.00 0.00 C ATOM 172 CG2 VAL A 15 -5.008 3.910 -9.320 1.00 0.00 C ATOM 0 H VAL A 15 -7.958 1.297 -8.477 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.609 2.562 -7.271 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.918 1.971 -9.654 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.995 3.592 -11.139 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.150 2.698 -10.122 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.730 4.380 -9.723 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.749 4.085 -10.364 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.279 4.855 -8.850 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.152 3.479 -8.801 1.00 0.00 H new ATOM 182 N ILE A 16 -6.587 4.549 -6.179 1.00 0.00 N ATOM 183 CA ILE A 16 -7.061 5.738 -5.470 1.00 0.00 C ATOM 184 C ILE A 16 -5.925 6.752 -5.536 1.00 0.00 C ATOM 185 O ILE A 16 -4.753 6.364 -5.486 1.00 0.00 O ATOM 186 CB ILE A 16 -7.427 5.395 -4.003 1.00 0.00 C ATOM 187 CG1 ILE A 16 -8.637 4.448 -3.949 1.00 0.00 C ATOM 188 CG2 ILE A 16 -7.762 6.635 -3.137 1.00 0.00 C ATOM 189 CD1 ILE A 16 -8.762 3.714 -2.617 1.00 0.00 C ATOM 0 H ILE A 16 -5.632 4.298 -5.923 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.967 6.139 -5.925 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.534 4.923 -3.593 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -9.547 5.020 -4.129 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.556 3.717 -4.754 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -8.008 6.316 -2.124 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -6.900 7.302 -3.108 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.614 7.161 -3.569 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.635 3.061 -2.642 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.867 3.116 -2.446 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.874 4.439 -1.811 1.00 0.00 H new ATOM 201 N HIS A 17 -6.272 8.038 -5.597 1.00 0.00 N ATOM 202 CA HIS A 17 -5.344 9.157 -5.533 1.00 0.00 C ATOM 203 C HIS A 17 -5.578 9.950 -4.241 1.00 0.00 C ATOM 204 O HIS A 17 -6.594 9.793 -3.565 1.00 0.00 O ATOM 205 CB HIS A 17 -5.502 10.030 -6.787 1.00 0.00 C ATOM 206 CG HIS A 17 -5.358 9.252 -8.075 1.00 0.00 C ATOM 207 ND1 HIS A 17 -4.187 8.966 -8.744 1.00 0.00 N ATOM 208 CD2 HIS A 17 -6.377 8.644 -8.760 1.00 0.00 C ATOM 209 CE1 HIS A 17 -4.498 8.207 -9.806 1.00 0.00 C ATOM 210 NE2 HIS A 17 -5.823 7.992 -9.865 1.00 0.00 N ATOM 0 H HIS A 17 -7.243 8.335 -5.696 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.317 8.793 -5.512 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -6.481 10.510 -6.767 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -4.757 10.825 -6.765 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.423 8.665 -8.493 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -3.781 7.822 -10.516 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.325 7.459 -10.575 1.00 0.00 H new ATOM 218 N ARG A 18 -4.655 10.844 -3.897 1.00 0.00 N ATOM 219 CA ARG A 18 -4.756 11.806 -2.797 1.00 0.00 C ATOM 220 C ARG A 18 -4.036 13.075 -3.244 1.00 0.00 C ATOM 221 O ARG A 18 -3.508 13.118 -4.351 1.00 0.00 O ATOM 222 CB ARG A 18 -4.162 11.228 -1.497 1.00 0.00 C ATOM 223 CG ARG A 18 -2.643 11.033 -1.614 1.00 0.00 C ATOM 224 CD ARG A 18 -1.986 10.255 -0.477 1.00 0.00 C ATOM 225 NE ARG A 18 -0.554 10.046 -0.770 1.00 0.00 N ATOM 226 CZ ARG A 18 0.432 10.946 -0.641 1.00 0.00 C ATOM 227 NH1 ARG A 18 0.232 12.108 -0.035 1.00 0.00 N ATOM 228 NH2 ARG A 18 1.641 10.672 -1.111 1.00 0.00 N ATOM 0 H ARG A 18 -3.772 10.923 -4.401 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.798 12.031 -2.571 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.382 11.898 -0.666 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.637 10.273 -1.271 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.432 10.518 -2.551 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.173 12.014 -1.677 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.098 10.800 0.460 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.483 9.294 -0.348 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.287 9.121 -1.106 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.687 12.333 0.345 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.997 12.777 0.051 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.820 9.778 -1.569 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.393 11.355 -1.014 1.00 0.00 H new ATOM 242 N LYS A 19 -3.992 14.102 -2.401 1.00 0.00 N ATOM 243 CA LYS A 19 -3.217 15.315 -2.641 1.00 0.00 C ATOM 244 C LYS A 19 -1.962 15.204 -1.771 1.00 0.00 C ATOM 245 O LYS A 19 -1.963 14.452 -0.796 1.00 0.00 O ATOM 246 CB LYS A 19 -4.091 16.529 -2.269 1.00 0.00 C ATOM 247 CG LYS A 19 -5.253 16.888 -3.225 1.00 0.00 C ATOM 248 CD LYS A 19 -6.043 15.771 -3.936 1.00 0.00 C ATOM 249 CE LYS A 19 -6.852 14.837 -3.024 1.00 0.00 C ATOM 250 NZ LYS A 19 -8.162 15.393 -2.648 1.00 0.00 N ATOM 0 H LYS A 19 -4.502 14.115 -1.518 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.919 15.439 -3.682 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.512 16.351 -1.279 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.441 17.400 -2.187 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.970 17.479 -2.655 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.846 17.539 -3.999 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.726 16.233 -4.649 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.342 15.167 -4.512 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.000 13.883 -3.530 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.277 14.633 -2.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.662 14.719 -2.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.025 16.290 -2.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.726 15.563 -3.505 1.00 0.00 H new ATOM 264 N GLU A 20 -0.884 15.933 -2.071 1.00 0.00 N ATOM 265 CA GLU A 20 0.340 15.817 -1.259 1.00 0.00 C ATOM 266 C GLU A 20 0.167 16.422 0.145 1.00 0.00 C ATOM 267 O GLU A 20 0.985 16.150 1.026 1.00 0.00 O ATOM 268 CB GLU A 20 1.571 16.430 -1.945 1.00 0.00 C ATOM 269 CG GLU A 20 2.205 15.543 -3.024 1.00 0.00 C ATOM 270 CD GLU A 20 3.717 15.743 -3.134 1.00 0.00 C ATOM 271 OE1 GLU A 20 4.153 16.819 -3.608 1.00 0.00 O ATOM 272 OE2 GLU A 20 4.443 14.814 -2.707 1.00 0.00 O ATOM 0 H GLU A 20 -0.827 16.593 -2.846 1.00 0.00 H new ATOM 0 HA GLU A 20 0.515 14.746 -1.155 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.285 17.380 -2.396 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.322 16.651 -1.186 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.996 14.497 -2.799 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.742 15.761 -3.987 1.00 0.00 H new ATOM 279 N ASN A 21 -0.881 17.216 0.372 1.00 0.00 N ATOM 280 CA ASN A 21 -1.184 17.860 1.652 1.00 0.00 C ATOM 281 C ASN A 21 -1.870 16.895 2.645 1.00 0.00 C ATOM 282 O ASN A 21 -2.406 17.335 3.654 1.00 0.00 O ATOM 283 CB ASN A 21 -2.061 19.107 1.384 1.00 0.00 C ATOM 284 CG ASN A 21 -1.806 20.238 2.383 1.00 0.00 C ATOM 285 OD1 ASN A 21 -1.523 20.036 3.554 1.00 0.00 O ATOM 286 ND2 ASN A 21 -1.832 21.488 1.949 1.00 0.00 N ATOM 0 H ASN A 21 -1.564 17.436 -0.353 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.248 18.161 2.123 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.869 19.470 0.374 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.112 18.822 1.426 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.619 22.254 2.588 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.065 21.685 0.976 1.00 0.00 H new ATOM 293 N GLU A 22 -1.976 15.599 2.337 1.00 0.00 N ATOM 294 CA GLU A 22 -2.824 14.646 3.054 1.00 0.00 C ATOM 295 C GLU A 22 -2.417 13.207 2.690 1.00 0.00 C ATOM 296 O GLU A 22 -1.639 12.987 1.758 1.00 0.00 O ATOM 297 CB GLU A 22 -4.307 14.915 2.708 1.00 0.00 C ATOM 298 CG GLU A 22 -4.545 15.068 1.196 1.00 0.00 C ATOM 299 CD GLU A 22 -6.009 15.296 0.840 1.00 0.00 C ATOM 300 OE1 GLU A 22 -6.608 16.314 1.249 1.00 0.00 O ATOM 301 OE2 GLU A 22 -6.548 14.454 0.079 1.00 0.00 O ATOM 0 H GLU A 22 -1.462 15.175 1.564 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.694 14.770 4.129 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.919 14.096 3.087 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.636 15.821 3.217 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.953 15.904 0.824 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.189 14.173 0.686 1.00 0.00 H new ATOM 308 N GLY A 23 -2.950 12.215 3.403 1.00 0.00 N ATOM 309 CA GLY A 23 -2.757 10.792 3.147 1.00 0.00 C ATOM 310 C GLY A 23 -3.960 10.202 2.405 1.00 0.00 C ATOM 311 O GLY A 23 -4.794 10.938 1.871 1.00 0.00 O ATOM 0 H GLY A 23 -3.552 12.391 4.207 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.852 10.644 2.557 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.612 10.265 4.090 1.00 0.00 H new ATOM 315 N PHE A 24 -4.046 8.872 2.319 1.00 0.00 N ATOM 316 CA PHE A 24 -5.262 8.164 1.948 1.00 0.00 C ATOM 317 C PHE A 24 -6.089 7.961 3.218 1.00 0.00 C ATOM 318 O PHE A 24 -5.557 7.917 4.332 1.00 0.00 O ATOM 319 CB PHE A 24 -4.912 6.788 1.387 1.00 0.00 C ATOM 320 CG PHE A 24 -3.968 6.802 0.207 1.00 0.00 C ATOM 321 CD1 PHE A 24 -4.429 7.215 -1.055 1.00 0.00 C ATOM 322 CD2 PHE A 24 -2.642 6.360 0.359 1.00 0.00 C ATOM 323 CE1 PHE A 24 -3.552 7.222 -2.148 1.00 0.00 C ATOM 324 CE2 PHE A 24 -1.778 6.336 -0.744 1.00 0.00 C ATOM 325 CZ PHE A 24 -2.225 6.788 -1.993 1.00 0.00 C ATOM 0 H PHE A 24 -3.258 8.253 2.509 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.809 8.736 1.198 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.467 6.190 2.182 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.834 6.288 1.090 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.455 7.526 -1.182 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.289 6.038 1.328 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.898 7.562 -3.113 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.768 5.969 -0.632 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.550 6.803 -2.836 1.00 0.00 H new ATOM 335 N GLY A 25 -7.382 7.726 3.059 1.00 0.00 N ATOM 336 CA GLY A 25 -8.304 7.548 4.171 1.00 0.00 C ATOM 337 C GLY A 25 -8.687 6.096 4.395 1.00 0.00 C ATOM 338 O GLY A 25 -9.845 5.838 4.688 1.00 0.00 O ATOM 0 H GLY A 25 -7.826 7.653 2.144 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.850 7.943 5.080 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.206 8.132 3.986 1.00 0.00 H new ATOM 342 N PHE A 26 -7.764 5.144 4.262 1.00 0.00 N ATOM 343 CA PHE A 26 -7.988 3.763 4.676 1.00 0.00 C ATOM 344 C PHE A 26 -6.987 3.392 5.759 1.00 0.00 C ATOM 345 O PHE A 26 -5.955 4.052 5.908 1.00 0.00 O ATOM 346 CB PHE A 26 -7.914 2.814 3.473 1.00 0.00 C ATOM 347 CG PHE A 26 -6.518 2.624 2.906 1.00 0.00 C ATOM 348 CD1 PHE A 26 -6.009 3.528 1.957 1.00 0.00 C ATOM 349 CD2 PHE A 26 -5.707 1.566 3.361 1.00 0.00 C ATOM 350 CE1 PHE A 26 -4.703 3.364 1.458 1.00 0.00 C ATOM 351 CE2 PHE A 26 -4.398 1.416 2.868 1.00 0.00 C ATOM 352 CZ PHE A 26 -3.900 2.305 1.905 1.00 0.00 C ATOM 0 H PHE A 26 -6.840 5.311 3.864 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.991 3.665 5.091 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.308 1.842 3.769 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.564 3.195 2.685 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.620 4.348 1.611 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.091 0.868 4.090 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.317 4.058 0.726 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.774 0.613 3.233 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.903 2.175 1.510 1.00 0.00 H new ATOM 362 N VAL A 27 -7.293 2.332 6.499 1.00 0.00 N ATOM 363 CA VAL A 27 -6.509 1.815 7.604 1.00 0.00 C ATOM 364 C VAL A 27 -6.579 0.291 7.495 1.00 0.00 C ATOM 365 O VAL A 27 -7.674 -0.266 7.355 1.00 0.00 O ATOM 366 CB VAL A 27 -7.102 2.313 8.939 1.00 0.00 C ATOM 367 CG1 VAL A 27 -6.254 1.870 10.134 1.00 0.00 C ATOM 368 CG2 VAL A 27 -7.285 3.839 9.010 1.00 0.00 C ATOM 0 H VAL A 27 -8.138 1.786 6.332 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.473 2.153 7.570 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.090 1.855 8.985 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.703 2.240 11.056 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -6.208 0.781 10.164 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.246 2.273 10.034 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.706 4.110 9.978 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.319 4.328 8.885 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.960 4.162 8.217 1.00 0.00 H new ATOM 378 N ILE A 28 -5.441 -0.397 7.540 1.00 0.00 N ATOM 379 CA ILE A 28 -5.358 -1.852 7.448 1.00 0.00 C ATOM 380 C ILE A 28 -5.260 -2.417 8.868 1.00 0.00 C ATOM 381 O ILE A 28 -4.647 -1.801 9.738 1.00 0.00 O ATOM 382 CB ILE A 28 -4.168 -2.256 6.541 1.00 0.00 C ATOM 383 CG1 ILE A 28 -4.440 -1.727 5.111 1.00 0.00 C ATOM 384 CG2 ILE A 28 -3.949 -3.782 6.521 1.00 0.00 C ATOM 385 CD1 ILE A 28 -3.358 -2.062 4.083 1.00 0.00 C ATOM 0 H ILE A 28 -4.531 0.052 7.644 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.249 -2.274 6.982 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.255 -1.815 6.941 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.389 -2.134 4.763 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.555 -0.644 5.156 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.105 -4.020 5.873 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.741 -4.133 7.532 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.846 -4.273 6.144 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.637 -1.650 3.113 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.409 -1.631 4.400 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.256 -3.144 4.002 1.00 0.00 H new ATOM 397 N ILE A 29 -5.854 -3.591 9.104 1.00 0.00 N ATOM 398 CA ILE A 29 -5.682 -4.386 10.294 1.00 0.00 C ATOM 399 C ILE A 29 -5.515 -5.860 9.912 1.00 0.00 C ATOM 400 O ILE A 29 -5.889 -6.284 8.812 1.00 0.00 O ATOM 401 CB ILE A 29 -6.892 -4.194 11.224 1.00 0.00 C ATOM 402 CG1 ILE A 29 -8.215 -4.804 10.705 1.00 0.00 C ATOM 403 CG2 ILE A 29 -7.070 -2.722 11.613 1.00 0.00 C ATOM 404 CD1 ILE A 29 -9.360 -4.702 11.727 1.00 0.00 C ATOM 0 H ILE A 29 -6.492 -4.019 8.434 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.785 -4.064 10.823 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.651 -4.769 12.118 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.508 -4.296 9.786 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.052 -5.852 10.452 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.934 -2.621 12.270 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.177 -2.372 12.131 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.226 -2.125 10.715 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.263 -5.146 11.308 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.083 -5.234 12.638 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.546 -3.654 11.961 1.00 0.00 H new ATOM 616 N PRO A 44 -4.527 -11.846 6.724 1.00 0.00 N ATOM 617 CA PRO A 44 -3.421 -11.087 7.291 1.00 0.00 C ATOM 618 C PRO A 44 -3.694 -9.590 7.252 1.00 0.00 C ATOM 619 O PRO A 44 -3.285 -8.878 8.164 1.00 0.00 O ATOM 620 CB PRO A 44 -2.199 -11.407 6.425 1.00 0.00 C ATOM 621 CG PRO A 44 -2.811 -11.810 5.084 1.00 0.00 C ATOM 622 CD PRO A 44 -4.178 -12.382 5.426 1.00 0.00 C ATOM 0 HA PRO A 44 -3.271 -11.357 8.336 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.541 -10.544 6.323 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.603 -12.213 6.853 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -2.899 -10.952 4.417 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.192 -12.548 4.574 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.917 -12.099 4.676 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.149 -13.471 5.450 1.00 0.00 H new ATOM 630 N HIS A 45 -4.331 -9.104 6.184 1.00 0.00 N ATOM 631 CA HIS A 45 -4.554 -7.697 5.912 1.00 0.00 C ATOM 632 C HIS A 45 -5.950 -7.542 5.341 1.00 0.00 C ATOM 633 O HIS A 45 -6.353 -8.264 4.422 1.00 0.00 O ATOM 634 CB HIS A 45 -3.536 -7.166 4.898 1.00 0.00 C ATOM 635 CG HIS A 45 -2.198 -6.782 5.468 1.00 0.00 C ATOM 636 ND1 HIS A 45 -1.669 -7.160 6.680 1.00 0.00 N ATOM 637 CD2 HIS A 45 -1.298 -5.954 4.862 1.00 0.00 C ATOM 638 CE1 HIS A 45 -0.461 -6.596 6.790 1.00 0.00 C ATOM 639 NE2 HIS A 45 -0.206 -5.819 5.724 1.00 0.00 N ATOM 0 H HIS A 45 -4.718 -9.711 5.461 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.443 -7.131 6.837 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.381 -7.926 4.132 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.964 -6.295 4.401 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -2.117 -7.762 7.371 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -1.409 -5.488 3.894 1.00 0.00 H new ATOM 0 HE1 HIS A 45 0.215 -6.744 7.619 1.00 0.00 H new ATOM 647 N LYS A 46 -6.674 -6.575 5.887 1.00 0.00 N ATOM 648 CA LYS A 46 -7.989 -6.147 5.443 1.00 0.00 C ATOM 649 C LYS A 46 -8.197 -4.715 5.921 1.00 0.00 C ATOM 650 O LYS A 46 -7.478 -4.246 6.804 1.00 0.00 O ATOM 651 CB LYS A 46 -9.064 -7.085 6.011 1.00 0.00 C ATOM 652 CG LYS A 46 -9.099 -7.069 7.550 1.00 0.00 C ATOM 653 CD LYS A 46 -10.327 -7.771 8.133 1.00 0.00 C ATOM 654 CE LYS A 46 -10.664 -7.113 9.484 1.00 0.00 C ATOM 655 NZ LYS A 46 -9.971 -7.770 10.603 1.00 0.00 N ATOM 0 H LYS A 46 -6.342 -6.043 6.691 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.065 -6.185 4.356 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.040 -6.792 5.624 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.876 -8.101 5.665 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.198 -7.549 7.932 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.081 -6.036 7.897 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.172 -7.689 7.449 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.128 -8.834 8.268 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.386 -6.059 9.454 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.741 -7.154 9.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.171 -7.256 11.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.305 -8.751 10.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.946 -7.768 10.426 1.00 0.00 H new ATOM 669 N ILE A 47 -9.214 -4.049 5.399 1.00 0.00 N ATOM 670 CA ILE A 47 -9.579 -2.687 5.756 1.00 0.00 C ATOM 671 C ILE A 47 -10.201 -2.692 7.147 1.00 0.00 C ATOM 672 O ILE A 47 -11.358 -3.077 7.311 1.00 0.00 O ATOM 673 CB ILE A 47 -10.539 -2.151 4.683 1.00 0.00 C ATOM 674 CG1 ILE A 47 -9.863 -2.150 3.302 1.00 0.00 C ATOM 675 CG2 ILE A 47 -11.124 -0.767 5.017 1.00 0.00 C ATOM 676 CD1 ILE A 47 -8.747 -1.107 3.129 1.00 0.00 C ATOM 0 H ILE A 47 -9.828 -4.454 4.692 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.710 -2.030 5.790 1.00 0.00 H new ATOM 0 HB ILE A 47 -11.388 -2.834 4.662 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.447 -3.140 3.116 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.624 -1.976 2.541 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.792 -0.452 4.216 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -11.680 -0.823 5.953 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.314 -0.045 5.119 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.331 -1.183 2.124 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.157 -0.108 3.278 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.961 -1.290 3.862 1.00 0.00 H new ATOM 688 N GLY A 48 -9.465 -2.265 8.167 1.00 0.00 N ATOM 689 CA GLY A 48 -10.055 -2.097 9.482 1.00 0.00 C ATOM 690 C GLY A 48 -11.055 -0.959 9.497 1.00 0.00 C ATOM 691 O GLY A 48 -12.100 -1.085 10.133 1.00 0.00 O ATOM 0 H GLY A 48 -8.474 -2.033 8.107 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.549 -3.021 9.782 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.270 -1.903 10.213 1.00 0.00 H new ATOM 695 N ARG A 49 -10.713 0.155 8.854 1.00 0.00 N ATOM 696 CA ARG A 49 -11.406 1.425 9.011 1.00 0.00 C ATOM 697 C ARG A 49 -11.125 2.274 7.788 1.00 0.00 C ATOM 698 O ARG A 49 -10.067 2.139 7.171 1.00 0.00 O ATOM 699 CB ARG A 49 -10.877 2.046 10.318 1.00 0.00 C ATOM 700 CG ARG A 49 -11.222 3.509 10.633 1.00 0.00 C ATOM 701 CD ARG A 49 -10.597 3.926 11.978 1.00 0.00 C ATOM 702 NE ARG A 49 -11.203 3.196 13.107 1.00 0.00 N ATOM 703 CZ ARG A 49 -10.826 2.035 13.654 1.00 0.00 C ATOM 704 NH1 ARG A 49 -9.606 1.532 13.461 1.00 0.00 N ATOM 705 NH2 ARG A 49 -11.710 1.371 14.384 1.00 0.00 N ATOM 0 H ARG A 49 -9.933 0.198 8.199 1.00 0.00 H new ATOM 0 HA ARG A 49 -12.489 1.327 9.083 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.241 1.436 11.145 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.791 1.957 10.310 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.854 4.156 9.837 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.304 3.635 10.672 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.524 3.737 11.956 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.729 4.998 12.124 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.021 3.636 13.528 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.932 2.035 12.883 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.346 0.644 13.891 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.649 1.748 14.516 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.452 0.483 14.814 1.00 0.00 H new ATOM 719 N ILE A 50 -12.060 3.157 7.471 1.00 0.00 N ATOM 720 CA ILE A 50 -11.915 4.218 6.495 1.00 0.00 C ATOM 721 C ILE A 50 -12.183 5.534 7.239 1.00 0.00 C ATOM 722 O ILE A 50 -12.869 5.558 8.267 1.00 0.00 O ATOM 723 CB ILE A 50 -12.814 3.896 5.273 1.00 0.00 C ATOM 724 CG1 ILE A 50 -12.059 2.905 4.355 1.00 0.00 C ATOM 725 CG2 ILE A 50 -13.270 5.126 4.478 1.00 0.00 C ATOM 726 CD1 ILE A 50 -12.911 2.298 3.233 1.00 0.00 C ATOM 0 H ILE A 50 -12.981 3.150 7.909 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.919 4.314 6.063 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.733 3.455 5.659 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -11.208 3.420 3.909 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.658 2.097 4.967 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.894 4.808 3.642 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -13.843 5.787 5.128 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -12.398 5.658 4.098 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.300 1.617 2.641 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -13.748 1.751 3.667 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -13.291 3.094 2.593 1.00 0.00 H new ATOM 738 N ILE A 51 -11.549 6.605 6.771 1.00 0.00 N ATOM 739 CA ILE A 51 -11.713 7.970 7.243 1.00 0.00 C ATOM 740 C ILE A 51 -12.870 8.557 6.442 1.00 0.00 C ATOM 741 O ILE A 51 -12.920 8.369 5.222 1.00 0.00 O ATOM 742 CB ILE A 51 -10.421 8.766 7.004 1.00 0.00 C ATOM 743 CG1 ILE A 51 -9.165 8.075 7.572 1.00 0.00 C ATOM 744 CG2 ILE A 51 -10.561 10.194 7.552 1.00 0.00 C ATOM 745 CD1 ILE A 51 -9.223 7.655 9.041 1.00 0.00 C ATOM 0 H ILE A 51 -10.871 6.537 6.012 1.00 0.00 H new ATOM 0 HA ILE A 51 -11.920 8.008 8.312 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.277 8.811 5.925 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.962 7.188 6.971 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.317 8.748 7.443 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -9.637 10.744 7.374 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.386 10.698 7.048 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -10.760 10.155 8.623 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.282 7.181 9.321 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.387 8.534 9.665 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.042 6.950 9.186 1.00 0.00 H new ATOM 757 N ASP A 52 -13.779 9.278 7.092 1.00 0.00 N ATOM 758 CA ASP A 52 -14.953 9.795 6.403 1.00 0.00 C ATOM 759 C ASP A 52 -14.565 10.848 5.364 1.00 0.00 C ATOM 760 O ASP A 52 -13.571 11.565 5.521 1.00 0.00 O ATOM 761 CB ASP A 52 -15.978 10.358 7.396 1.00 0.00 C ATOM 762 CG ASP A 52 -17.414 10.183 6.893 1.00 0.00 C ATOM 763 OD1 ASP A 52 -17.621 9.833 5.711 1.00 0.00 O ATOM 764 OD2 ASP A 52 -18.347 10.318 7.724 1.00 0.00 O ATOM 0 H ASP A 52 -13.726 9.514 8.083 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.419 8.961 5.878 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.866 9.856 8.357 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.778 11.416 7.564 1.00 0.00 H new ATOM 769 N GLY A 53 -15.344 10.930 4.285 1.00 0.00 N ATOM 770 CA GLY A 53 -15.194 11.926 3.232 1.00 0.00 C ATOM 771 C GLY A 53 -13.866 11.854 2.481 1.00 0.00 C ATOM 772 O GLY A 53 -13.565 12.756 1.693 1.00 0.00 O ATOM 0 H GLY A 53 -16.117 10.286 4.118 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.009 11.807 2.518 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.296 12.919 3.670 1.00 0.00 H new ATOM 776 N SER A 54 -13.057 10.824 2.728 1.00 0.00 N ATOM 777 CA SER A 54 -11.742 10.684 2.139 1.00 0.00 C ATOM 778 C SER A 54 -11.836 10.240 0.680 1.00 0.00 C ATOM 779 O SER A 54 -12.869 9.718 0.250 1.00 0.00 O ATOM 780 CB SER A 54 -10.941 9.672 2.960 1.00 0.00 C ATOM 781 OG SER A 54 -11.554 8.398 2.999 1.00 0.00 O ATOM 0 H SER A 54 -13.308 10.057 3.352 1.00 0.00 H new ATOM 0 HA SER A 54 -11.238 11.650 2.152 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.941 9.577 2.538 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.823 10.046 3.977 1.00 0.00 H new ATOM 0 HG SER A 54 -12.221 8.378 3.717 1.00 0.00 H new ATOM 787 N PRO A 55 -10.721 10.306 -0.064 1.00 0.00 N ATOM 788 CA PRO A 55 -10.610 9.642 -1.349 1.00 0.00 C ATOM 789 C PRO A 55 -10.850 8.129 -1.244 1.00 0.00 C ATOM 790 O PRO A 55 -11.303 7.541 -2.221 1.00 0.00 O ATOM 791 CB PRO A 55 -9.207 9.967 -1.871 1.00 0.00 C ATOM 792 CG PRO A 55 -8.422 10.496 -0.666 1.00 0.00 C ATOM 793 CD PRO A 55 -9.507 11.033 0.269 1.00 0.00 C ATOM 0 HA PRO A 55 -11.377 9.996 -2.038 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.731 9.080 -2.289 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.249 10.711 -2.667 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.839 9.707 -0.191 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.722 11.279 -0.957 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.234 10.878 1.313 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.645 12.105 0.131 1.00 0.00 H new ATOM 801 N ALA A 56 -10.578 7.485 -0.100 1.00 0.00 N ATOM 802 CA ALA A 56 -10.897 6.078 0.095 1.00 0.00 C ATOM 803 C ALA A 56 -12.409 5.892 0.213 1.00 0.00 C ATOM 804 O ALA A 56 -12.966 5.086 -0.524 1.00 0.00 O ATOM 805 CB ALA A 56 -10.172 5.531 1.324 1.00 0.00 C ATOM 0 H ALA A 56 -10.134 7.927 0.705 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.554 5.513 -0.772 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.422 4.478 1.455 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.096 5.634 1.187 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.481 6.090 2.207 1.00 0.00 H new ATOM 811 N ASP A 57 -13.079 6.641 1.096 1.00 0.00 N ATOM 812 CA ASP A 57 -14.525 6.536 1.308 1.00 0.00 C ATOM 813 C ASP A 57 -15.281 6.790 0.005 1.00 0.00 C ATOM 814 O ASP A 57 -16.172 6.033 -0.376 1.00 0.00 O ATOM 815 CB ASP A 57 -14.952 7.540 2.387 1.00 0.00 C ATOM 816 CG ASP A 57 -16.426 7.382 2.747 1.00 0.00 C ATOM 817 OD1 ASP A 57 -17.280 8.005 2.078 1.00 0.00 O ATOM 818 OD2 ASP A 57 -16.735 6.686 3.743 1.00 0.00 O ATOM 0 H ASP A 57 -12.630 7.341 1.686 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.767 5.527 1.641 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.342 7.399 3.279 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.770 8.555 2.034 1.00 0.00 H new ATOM 823 N ARG A 58 -14.873 7.827 -0.730 1.00 0.00 N ATOM 824 CA ARG A 58 -15.455 8.216 -2.012 1.00 0.00 C ATOM 825 C ARG A 58 -15.023 7.300 -3.159 1.00 0.00 C ATOM 826 O ARG A 58 -15.511 7.478 -4.276 1.00 0.00 O ATOM 827 CB ARG A 58 -15.072 9.678 -2.291 1.00 0.00 C ATOM 828 CG ARG A 58 -15.801 10.657 -1.350 1.00 0.00 C ATOM 829 CD ARG A 58 -14.973 11.928 -1.139 1.00 0.00 C ATOM 830 NE ARG A 58 -15.782 13.059 -0.665 1.00 0.00 N ATOM 831 CZ ARG A 58 -16.447 13.941 -1.418 1.00 0.00 C ATOM 832 NH1 ARG A 58 -16.494 13.822 -2.742 1.00 0.00 N ATOM 833 NH2 ARG A 58 -17.068 14.959 -0.839 1.00 0.00 N ATOM 0 H ARG A 58 -14.107 8.435 -0.440 1.00 0.00 H new ATOM 0 HA ARG A 58 -16.539 8.115 -1.950 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -13.995 9.799 -2.175 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.311 9.924 -3.326 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.773 10.916 -1.770 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.987 10.175 -0.390 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.181 11.725 -0.418 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -14.488 12.201 -2.076 1.00 0.00 H new ATOM 0 HE ARG A 58 -15.843 13.185 0.345 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -16.017 13.046 -3.202 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -17.007 14.506 -3.298 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -17.037 15.066 0.175 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -17.577 15.636 -1.407 1.00 0.00 H new ATOM 847 N CYS A 59 -14.112 6.346 -2.939 1.00 0.00 N ATOM 848 CA CYS A 59 -13.701 5.428 -3.992 1.00 0.00 C ATOM 849 C CYS A 59 -14.798 4.404 -4.285 1.00 0.00 C ATOM 850 O CYS A 59 -14.952 4.054 -5.449 1.00 0.00 O ATOM 851 CB CYS A 59 -12.353 4.776 -3.648 1.00 0.00 C ATOM 852 SG CYS A 59 -11.838 3.650 -4.968 1.00 0.00 S ATOM 0 H CYS A 59 -13.650 6.194 -2.042 1.00 0.00 H new ATOM 0 HA CYS A 59 -13.552 5.993 -4.912 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.596 5.547 -3.504 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -12.436 4.230 -2.708 1.00 0.00 H new ATOM 0 HG CYS A 59 -12.857 3.378 -5.728 1.00 0.00 H new ATOM 858 N ALA A 60 -15.546 3.941 -3.274 1.00 0.00 N ATOM 859 CA ALA A 60 -16.624 2.940 -3.329 1.00 0.00 C ATOM 860 C ALA A 60 -16.231 1.542 -3.857 1.00 0.00 C ATOM 861 O ALA A 60 -16.850 0.555 -3.446 1.00 0.00 O ATOM 862 CB ALA A 60 -17.852 3.510 -4.049 1.00 0.00 C ATOM 0 H ALA A 60 -15.403 4.282 -2.323 1.00 0.00 H new ATOM 0 HA ALA A 60 -16.874 2.742 -2.287 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -18.638 2.756 -4.080 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -18.213 4.388 -3.514 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -17.579 3.792 -5.066 1.00 0.00 H new ATOM 868 N LYS A 61 -15.181 1.399 -4.674 1.00 0.00 N ATOM 869 CA LYS A 61 -14.499 0.121 -4.921 1.00 0.00 C ATOM 870 C LYS A 61 -13.789 -0.397 -3.675 1.00 0.00 C ATOM 871 O LYS A 61 -13.419 -1.568 -3.655 1.00 0.00 O ATOM 872 CB LYS A 61 -13.460 0.254 -6.033 1.00 0.00 C ATOM 873 CG LYS A 61 -14.102 0.307 -7.421 1.00 0.00 C ATOM 874 CD LYS A 61 -13.331 -0.570 -8.410 1.00 0.00 C ATOM 875 CE LYS A 61 -13.583 -2.061 -8.165 1.00 0.00 C ATOM 876 NZ LYS A 61 -13.111 -2.916 -9.279 1.00 0.00 N ATOM 0 H LYS A 61 -14.774 2.179 -5.190 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.277 -0.583 -5.215 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.872 1.157 -5.872 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -12.770 -0.588 -5.986 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -15.137 -0.029 -7.361 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -14.121 1.336 -7.779 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.625 -0.314 -9.428 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -12.264 -0.363 -8.324 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.082 -2.363 -7.245 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -14.650 -2.224 -8.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.307 -3.913 -9.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -13.606 -2.651 -10.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.087 -2.785 -9.407 1.00 0.00 H new ATOM 890 N LEU A 62 -13.553 0.456 -2.673 1.00 0.00 N ATOM 891 CA LEU A 62 -12.856 0.079 -1.454 1.00 0.00 C ATOM 892 C LEU A 62 -13.802 0.230 -0.276 1.00 0.00 C ATOM 893 O LEU A 62 -14.288 1.331 -0.023 1.00 0.00 O ATOM 894 CB LEU A 62 -11.584 0.922 -1.239 1.00 0.00 C ATOM 895 CG LEU A 62 -10.383 0.038 -0.866 1.00 0.00 C ATOM 896 CD1 LEU A 62 -9.193 0.902 -0.449 1.00 0.00 C ATOM 897 CD2 LEU A 62 -10.674 -0.908 0.292 1.00 0.00 C ATOM 0 H LEU A 62 -13.845 1.433 -2.692 1.00 0.00 H new ATOM 0 HA LEU A 62 -12.538 -0.960 -1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.358 1.481 -2.147 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.759 1.653 -0.450 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.164 -0.548 -1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.351 0.260 -0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.910 1.554 -1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.468 1.508 0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.787 -1.504 0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.945 -0.329 1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -11.499 -1.568 0.024 1.00 0.00 H new ATOM 909 N LYS A 63 -14.083 -0.860 0.431 1.00 0.00 N ATOM 910 CA LYS A 63 -14.984 -0.885 1.571 1.00 0.00 C ATOM 911 C LYS A 63 -14.389 -1.788 2.660 1.00 0.00 C ATOM 912 O LYS A 63 -13.343 -2.426 2.497 1.00 0.00 O ATOM 913 CB LYS A 63 -16.428 -1.241 1.129 1.00 0.00 C ATOM 914 CG LYS A 63 -16.569 -1.748 -0.319 1.00 0.00 C ATOM 915 CD LYS A 63 -17.928 -2.329 -0.717 1.00 0.00 C ATOM 916 CE LYS A 63 -17.795 -2.861 -2.152 1.00 0.00 C ATOM 917 NZ LYS A 63 -18.840 -3.846 -2.490 1.00 0.00 N ATOM 0 H LYS A 63 -13.678 -1.772 0.219 1.00 0.00 H new ATOM 0 HA LYS A 63 -15.079 0.105 2.016 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -16.819 -2.004 1.803 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -17.055 -0.358 1.250 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -16.343 -0.921 -0.992 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.810 -2.512 -0.487 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -18.218 -3.129 -0.036 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -18.704 -1.565 -0.661 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.847 -2.027 -2.851 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.814 -3.320 -2.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -18.705 -4.173 -3.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -18.776 -4.657 -1.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -19.777 -3.403 -2.399 1.00 0.00 H new ATOM 931 N VAL A 64 -15.003 -1.781 3.837 1.00 0.00 N ATOM 932 CA VAL A 64 -14.544 -2.556 4.985 1.00 0.00 C ATOM 933 C VAL A 64 -14.843 -4.037 4.729 1.00 0.00 C ATOM 934 O VAL A 64 -15.996 -4.467 4.814 1.00 0.00 O ATOM 935 CB VAL A 64 -15.183 -2.025 6.280 1.00 0.00 C ATOM 936 CG1 VAL A 64 -14.881 -2.919 7.490 1.00 0.00 C ATOM 937 CG2 VAL A 64 -14.690 -0.616 6.634 1.00 0.00 C ATOM 0 H VAL A 64 -15.842 -1.232 4.024 1.00 0.00 H new ATOM 0 HA VAL A 64 -13.467 -2.451 5.116 1.00 0.00 H new ATOM 0 HB VAL A 64 -16.254 -2.014 6.076 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -15.354 -2.501 8.378 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -15.271 -3.921 7.309 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -13.803 -2.971 7.644 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -15.169 -0.284 7.555 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -13.609 -0.633 6.772 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -14.942 0.071 5.826 1.00 0.00 H new ATOM 947 N GLY A 65 -13.804 -4.831 4.470 1.00 0.00 N ATOM 948 CA GLY A 65 -13.841 -6.281 4.331 1.00 0.00 C ATOM 949 C GLY A 65 -13.133 -6.732 3.063 1.00 0.00 C ATOM 950 O GLY A 65 -12.984 -7.937 2.862 1.00 0.00 O ATOM 0 H GLY A 65 -12.864 -4.456 4.345 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.369 -6.744 5.198 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.877 -6.621 4.312 1.00 0.00 H new ATOM 954 N ASP A 66 -12.660 -5.800 2.228 1.00 0.00 N ATOM 955 CA ASP A 66 -11.837 -6.118 1.069 1.00 0.00 C ATOM 956 C ASP A 66 -10.462 -6.557 1.568 1.00 0.00 C ATOM 957 O ASP A 66 -9.602 -5.748 1.927 1.00 0.00 O ATOM 958 CB ASP A 66 -11.765 -4.946 0.082 1.00 0.00 C ATOM 959 CG ASP A 66 -13.121 -4.723 -0.583 1.00 0.00 C ATOM 960 OD1 ASP A 66 -13.538 -5.559 -1.418 1.00 0.00 O ATOM 961 OD2 ASP A 66 -13.807 -3.766 -0.170 1.00 0.00 O ATOM 0 H ASP A 66 -12.841 -4.803 2.342 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.287 -6.936 0.506 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.457 -4.041 0.605 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.010 -5.148 -0.677 1.00 0.00 H new ATOM 966 N ARG A 67 -10.302 -7.873 1.677 1.00 0.00 N ATOM 967 CA ARG A 67 -9.060 -8.597 1.938 1.00 0.00 C ATOM 968 C ARG A 67 -8.004 -8.162 0.922 1.00 0.00 C ATOM 969 O ARG A 67 -8.331 -7.936 -0.246 1.00 0.00 O ATOM 970 CB ARG A 67 -9.341 -10.104 1.803 1.00 0.00 C ATOM 971 CG ARG A 67 -10.510 -10.581 2.675 1.00 0.00 C ATOM 972 CD ARG A 67 -10.949 -12.005 2.306 1.00 0.00 C ATOM 973 NE ARG A 67 -12.084 -12.457 3.137 1.00 0.00 N ATOM 974 CZ ARG A 67 -13.276 -11.849 3.248 1.00 0.00 C ATOM 975 NH1 ARG A 67 -13.669 -10.914 2.386 1.00 0.00 N ATOM 976 NH2 ARG A 67 -14.066 -12.153 4.270 1.00 0.00 N ATOM 0 H ARG A 67 -11.094 -8.508 1.578 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.692 -8.382 2.941 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.556 -10.335 0.760 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.444 -10.660 2.074 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -10.217 -10.551 3.724 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -11.352 -9.899 2.559 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.232 -12.038 1.254 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.110 -12.689 2.432 1.00 0.00 H new ATOM 0 HE ARG A 67 -11.949 -13.312 3.677 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -13.059 -10.642 1.615 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -14.581 -10.470 2.496 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -13.765 -12.841 4.960 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -14.974 -11.698 4.366 1.00 0.00 H new ATOM 990 N ILE A 68 -6.745 -8.063 1.348 1.00 0.00 N ATOM 991 CA ILE A 68 -5.681 -7.429 0.570 1.00 0.00 C ATOM 992 C ILE A 68 -4.636 -8.504 0.252 1.00 0.00 C ATOM 993 O ILE A 68 -4.450 -9.463 1.005 1.00 0.00 O ATOM 994 CB ILE A 68 -5.132 -6.178 1.314 1.00 0.00 C ATOM 995 CG1 ILE A 68 -6.294 -5.260 1.777 1.00 0.00 C ATOM 996 CG2 ILE A 68 -4.159 -5.374 0.423 1.00 0.00 C ATOM 997 CD1 ILE A 68 -5.891 -4.064 2.642 1.00 0.00 C ATOM 0 H ILE A 68 -6.432 -8.423 2.250 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.045 -7.038 -0.380 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.587 -6.534 2.188 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.812 -4.888 0.893 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -7.009 -5.864 2.335 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.794 -4.507 0.973 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.317 -6.006 0.142 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.679 -5.041 -0.475 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.780 -3.492 2.908 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.403 -4.419 3.550 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.203 -3.428 2.085 1.00 0.00 H new ATOM 1009 N LEU A 69 -3.970 -8.345 -0.893 1.00 0.00 N ATOM 1010 CA LEU A 69 -3.175 -9.362 -1.582 1.00 0.00 C ATOM 1011 C LEU A 69 -1.827 -8.780 -1.991 1.00 0.00 C ATOM 1012 O LEU A 69 -0.779 -9.399 -1.796 1.00 0.00 O ATOM 1013 CB LEU A 69 -4.009 -9.819 -2.795 1.00 0.00 C ATOM 1014 CG LEU A 69 -3.301 -10.041 -4.141 1.00 0.00 C ATOM 1015 CD1 LEU A 69 -2.366 -11.253 -4.147 1.00 0.00 C ATOM 1016 CD2 LEU A 69 -4.364 -10.257 -5.213 1.00 0.00 C ATOM 0 H LEU A 69 -3.971 -7.455 -1.391 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.956 -10.217 -0.942 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.501 -10.753 -2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.794 -9.079 -2.953 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.689 -9.159 -4.330 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.901 -11.349 -5.128 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.593 -11.120 -3.390 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.938 -12.155 -3.927 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.881 -10.417 -6.177 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.965 -11.130 -4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.007 -9.379 -5.270 1.00 0.00 H new ATOM 1028 N ALA A 70 -1.850 -7.582 -2.566 1.00 0.00 N ATOM 1029 CA ALA A 70 -0.661 -6.845 -2.958 1.00 0.00 C ATOM 1030 C ALA A 70 -0.952 -5.346 -2.959 1.00 0.00 C ATOM 1031 O ALA A 70 -2.104 -4.917 -2.869 1.00 0.00 O ATOM 1032 CB ALA A 70 -0.202 -7.313 -4.344 1.00 0.00 C ATOM 0 H ALA A 70 -2.717 -7.088 -2.776 1.00 0.00 H new ATOM 0 HA ALA A 70 0.139 -7.036 -2.242 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.690 -6.760 -4.638 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.026 -8.378 -4.311 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.995 -7.134 -5.070 1.00 0.00 H new ATOM 1038 N VAL A 71 0.103 -4.549 -3.068 1.00 0.00 N ATOM 1039 CA VAL A 71 0.051 -3.101 -3.194 1.00 0.00 C ATOM 1040 C VAL A 71 1.006 -2.766 -4.323 1.00 0.00 C ATOM 1041 O VAL A 71 2.171 -3.145 -4.259 1.00 0.00 O ATOM 1042 CB VAL A 71 0.417 -2.434 -1.855 1.00 0.00 C ATOM 1043 CG1 VAL A 71 0.504 -0.909 -1.982 1.00 0.00 C ATOM 1044 CG2 VAL A 71 -0.636 -2.773 -0.792 1.00 0.00 C ATOM 0 H VAL A 71 1.057 -4.910 -3.071 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.945 -2.724 -3.427 1.00 0.00 H new ATOM 0 HB VAL A 71 1.394 -2.818 -1.563 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.764 -0.478 -1.015 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.269 -0.648 -2.714 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.459 -0.515 -2.307 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.368 -2.296 0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.611 -2.410 -1.117 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.678 -3.853 -0.653 1.00 0.00 H new ATOM 1054 N ASN A 72 0.499 -2.123 -5.377 1.00 0.00 N ATOM 1055 CA ASN A 72 1.235 -1.858 -6.614 1.00 0.00 C ATOM 1056 C ASN A 72 1.921 -3.139 -7.114 1.00 0.00 C ATOM 1057 O ASN A 72 3.094 -3.121 -7.490 1.00 0.00 O ATOM 1058 CB ASN A 72 2.216 -0.688 -6.412 1.00 0.00 C ATOM 1059 CG ASN A 72 1.603 0.489 -5.662 1.00 0.00 C ATOM 1060 OD1 ASN A 72 0.525 0.986 -5.991 1.00 0.00 O ATOM 1061 ND2 ASN A 72 2.261 0.948 -4.614 1.00 0.00 N ATOM 0 H ASN A 72 -0.456 -1.764 -5.394 1.00 0.00 H new ATOM 0 HA ASN A 72 0.539 -1.552 -7.395 1.00 0.00 H new ATOM 0 HB2 ASN A 72 3.088 -1.045 -5.864 1.00 0.00 H new ATOM 0 HB3 ASN A 72 2.569 -0.346 -7.385 1.00 0.00 H new ATOM 0 HD21 ASN A 72 1.877 1.720 -4.069 1.00 0.00 H new ATOM 0 HD22 ASN A 72 3.153 0.530 -4.349 1.00 0.00 H new ATOM 1068 N GLY A 73 1.198 -4.260 -7.019 1.00 0.00 N ATOM 1069 CA GLY A 73 1.624 -5.605 -7.366 1.00 0.00 C ATOM 1070 C GLY A 73 2.632 -6.263 -6.427 1.00 0.00 C ATOM 1071 O GLY A 73 2.792 -7.480 -6.509 1.00 0.00 O ATOM 0 H GLY A 73 0.238 -4.242 -6.674 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.740 -6.240 -7.417 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.056 -5.579 -8.366 1.00 0.00 H new ATOM 1075 N GLN A 74 3.245 -5.541 -5.493 1.00 0.00 N ATOM 1076 CA GLN A 74 4.248 -6.081 -4.599 1.00 0.00 C ATOM 1077 C GLN A 74 3.514 -6.885 -3.527 1.00 0.00 C ATOM 1078 O GLN A 74 2.646 -6.344 -2.831 1.00 0.00 O ATOM 1079 CB GLN A 74 5.046 -4.898 -4.041 1.00 0.00 C ATOM 1080 CG GLN A 74 6.086 -5.277 -2.989 1.00 0.00 C ATOM 1081 CD GLN A 74 7.183 -6.173 -3.535 1.00 0.00 C ATOM 1082 OE1 GLN A 74 7.027 -7.389 -3.550 1.00 0.00 O ATOM 1083 NE2 GLN A 74 8.297 -5.604 -3.953 1.00 0.00 N ATOM 0 H GLN A 74 3.052 -4.551 -5.339 1.00 0.00 H new ATOM 0 HA GLN A 74 4.956 -6.752 -5.086 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.549 -4.394 -4.866 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.351 -4.180 -3.605 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.534 -4.369 -2.585 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.589 -5.783 -2.161 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.392 -4.589 -3.926 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.063 -6.179 -4.303 1.00 0.00 H new ATOM 1092 N SER A 75 3.828 -8.173 -3.407 1.00 0.00 N ATOM 1093 CA SER A 75 3.152 -9.102 -2.516 1.00 0.00 C ATOM 1094 C SER A 75 3.337 -8.692 -1.054 1.00 0.00 C ATOM 1095 O SER A 75 4.435 -8.816 -0.516 1.00 0.00 O ATOM 1096 CB SER A 75 3.672 -10.523 -2.777 1.00 0.00 C ATOM 1097 OG SER A 75 5.079 -10.560 -2.955 1.00 0.00 O ATOM 0 H SER A 75 4.580 -8.607 -3.943 1.00 0.00 H new ATOM 0 HA SER A 75 2.081 -9.081 -2.716 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.397 -11.167 -1.941 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.185 -10.928 -3.664 1.00 0.00 H new ATOM 0 HG SER A 75 5.512 -10.033 -2.251 1.00 0.00 H new ATOM 1103 N ILE A 76 2.261 -8.273 -0.389 1.00 0.00 N ATOM 1104 CA ILE A 76 2.216 -7.922 1.034 1.00 0.00 C ATOM 1105 C ILE A 76 2.282 -9.149 1.964 1.00 0.00 C ATOM 1106 O ILE A 76 1.910 -9.048 3.128 1.00 0.00 O ATOM 1107 CB ILE A 76 0.943 -7.084 1.318 1.00 0.00 C ATOM 1108 CG1 ILE A 76 -0.381 -7.795 0.961 1.00 0.00 C ATOM 1109 CG2 ILE A 76 0.999 -5.749 0.580 1.00 0.00 C ATOM 1110 CD1 ILE A 76 -1.216 -8.238 2.148 1.00 0.00 C ATOM 0 H ILE A 76 1.356 -8.163 -0.846 1.00 0.00 H new ATOM 0 HA ILE A 76 3.106 -7.332 1.253 1.00 0.00 H new ATOM 0 HB ILE A 76 0.942 -6.932 2.397 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.980 -7.124 0.345 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.153 -8.669 0.351 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.096 -5.177 0.793 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.872 -5.186 0.912 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.069 -5.929 -0.493 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.124 -8.726 1.793 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.642 -8.938 2.756 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.483 -7.369 2.750 1.00 0.00 H new ATOM 1122 N ILE A 77 2.655 -10.326 1.457 1.00 0.00 N ATOM 1123 CA ILE A 77 2.336 -11.612 2.071 1.00 0.00 C ATOM 1124 C ILE A 77 3.261 -11.845 3.273 1.00 0.00 C ATOM 1125 O ILE A 77 2.918 -11.492 4.405 1.00 0.00 O ATOM 1126 CB ILE A 77 2.326 -12.734 1.003 1.00 0.00 C ATOM 1127 CG1 ILE A 77 1.354 -12.341 -0.137 1.00 0.00 C ATOM 1128 CG2 ILE A 77 1.879 -14.071 1.622 1.00 0.00 C ATOM 1129 CD1 ILE A 77 1.353 -13.336 -1.290 1.00 0.00 C ATOM 0 H ILE A 77 3.195 -10.411 0.596 1.00 0.00 H new ATOM 0 HA ILE A 77 1.324 -11.618 2.477 1.00 0.00 H new ATOM 0 HB ILE A 77 3.335 -12.855 0.609 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.345 -12.260 0.266 1.00 0.00 H new ATOM 0 HG13 ILE A 77 1.626 -11.356 -0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.879 -14.845 0.855 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.567 -14.351 2.420 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.874 -13.965 2.030 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.652 -13.004 -2.056 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.354 -13.399 -1.717 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.052 -14.317 -0.923 1.00 0.00 H new ATOM 1141 N ASN A 78 4.449 -12.400 3.032 1.00 0.00 N ATOM 1142 CA ASN A 78 5.481 -12.616 4.045 1.00 0.00 C ATOM 1143 C ASN A 78 6.223 -11.311 4.370 1.00 0.00 C ATOM 1144 O ASN A 78 7.049 -11.269 5.283 1.00 0.00 O ATOM 1145 CB ASN A 78 6.487 -13.662 3.541 1.00 0.00 C ATOM 1146 CG ASN A 78 5.867 -15.035 3.300 1.00 0.00 C ATOM 1147 OD1 ASN A 78 5.058 -15.192 2.392 1.00 0.00 O ATOM 1148 ND2 ASN A 78 6.215 -16.055 4.064 1.00 0.00 N ATOM 0 H ASN A 78 4.727 -12.719 2.104 1.00 0.00 H new ATOM 0 HA ASN A 78 4.996 -12.971 4.954 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.935 -13.306 2.613 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.294 -13.759 4.268 1.00 0.00 H new ATOM 0 HD21 ASN A 78 5.810 -16.977 3.899 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.888 -15.921 4.818 1.00 0.00 H new ATOM 1155 N MET A 79 5.968 -10.259 3.594 1.00 0.00 N ATOM 1156 CA MET A 79 6.555 -8.953 3.650 1.00 0.00 C ATOM 1157 C MET A 79 6.435 -8.358 5.060 1.00 0.00 C ATOM 1158 O MET A 79 5.406 -8.543 5.712 1.00 0.00 O ATOM 1159 CB MET A 79 5.792 -8.138 2.602 1.00 0.00 C ATOM 1160 CG MET A 79 6.531 -6.878 2.231 1.00 0.00 C ATOM 1161 SD MET A 79 5.788 -5.977 0.849 1.00 0.00 S ATOM 1162 CE MET A 79 7.129 -4.818 0.522 1.00 0.00 C ATOM 0 H MET A 79 5.278 -10.323 2.845 1.00 0.00 H new ATOM 0 HA MET A 79 7.624 -8.962 3.439 1.00 0.00 H new ATOM 0 HB2 MET A 79 5.637 -8.745 1.710 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.805 -7.881 2.988 1.00 0.00 H new ATOM 0 HG2 MET A 79 6.572 -6.222 3.101 1.00 0.00 H new ATOM 0 HG3 MET A 79 7.560 -7.133 1.976 1.00 0.00 H new ATOM 0 HE1 MET A 79 6.981 -4.356 -0.454 1.00 0.00 H new ATOM 0 HE2 MET A 79 7.138 -4.046 1.291 1.00 0.00 H new ATOM 0 HE3 MET A 79 8.080 -5.350 0.531 1.00 0.00 H new ATOM 1172 N PRO A 80 7.454 -7.630 5.543 1.00 0.00 N ATOM 1173 CA PRO A 80 7.368 -6.942 6.821 1.00 0.00 C ATOM 1174 C PRO A 80 6.230 -5.914 6.806 1.00 0.00 C ATOM 1175 O PRO A 80 6.074 -5.177 5.831 1.00 0.00 O ATOM 1176 CB PRO A 80 8.735 -6.286 7.052 1.00 0.00 C ATOM 1177 CG PRO A 80 9.658 -6.824 5.962 1.00 0.00 C ATOM 1178 CD PRO A 80 8.745 -7.436 4.909 1.00 0.00 C ATOM 0 HA PRO A 80 7.138 -7.630 7.634 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.659 -5.200 6.996 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.120 -6.528 8.042 1.00 0.00 H new ATOM 0 HG2 PRO A 80 10.266 -6.026 5.536 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.345 -7.569 6.364 1.00 0.00 H new ATOM 0 HD2 PRO A 80 8.657 -6.779 4.043 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.147 -8.384 4.551 1.00 0.00 H new ATOM 1186 N HIS A 81 5.471 -5.798 7.902 1.00 0.00 N ATOM 1187 CA HIS A 81 4.337 -4.875 8.008 1.00 0.00 C ATOM 1188 C HIS A 81 4.772 -3.420 7.795 1.00 0.00 C ATOM 1189 O HIS A 81 4.095 -2.655 7.101 1.00 0.00 O ATOM 1190 CB HIS A 81 3.634 -5.080 9.356 1.00 0.00 C ATOM 1191 CG HIS A 81 2.265 -4.447 9.491 1.00 0.00 C ATOM 1192 ND1 HIS A 81 1.769 -3.347 8.819 1.00 0.00 N ATOM 1193 CD2 HIS A 81 1.300 -4.869 10.366 1.00 0.00 C ATOM 1194 CE1 HIS A 81 0.534 -3.100 9.307 1.00 0.00 C ATOM 1195 NE2 HIS A 81 0.224 -3.985 10.274 1.00 0.00 N ATOM 0 H HIS A 81 5.629 -6.347 8.747 1.00 0.00 H new ATOM 0 HA HIS A 81 3.624 -5.096 7.214 1.00 0.00 H new ATOM 0 HB2 HIS A 81 3.537 -6.151 9.534 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.276 -4.683 10.143 1.00 0.00 H new ATOM 0 HD1 HIS A 81 2.247 -2.819 8.089 1.00 0.00 H new ATOM 0 HD2 HIS A 81 1.361 -5.732 11.012 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -0.114 -2.305 8.969 1.00 0.00 H new ATOM 1203 N ALA A 82 5.935 -3.044 8.337 1.00 0.00 N ATOM 1204 CA ALA A 82 6.497 -1.715 8.127 1.00 0.00 C ATOM 1205 C ALA A 82 6.969 -1.514 6.686 1.00 0.00 C ATOM 1206 O ALA A 82 7.065 -0.378 6.226 1.00 0.00 O ATOM 1207 CB ALA A 82 7.662 -1.496 9.095 1.00 0.00 C ATOM 0 H ALA A 82 6.505 -3.649 8.928 1.00 0.00 H new ATOM 0 HA ALA A 82 5.711 -0.984 8.317 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.083 -0.503 8.939 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.304 -1.581 10.121 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.430 -2.248 8.916 1.00 0.00 H new ATOM 1213 N ASP A 83 7.275 -2.588 5.962 1.00 0.00 N ATOM 1214 CA ASP A 83 7.714 -2.497 4.577 1.00 0.00 C ATOM 1215 C ASP A 83 6.533 -2.155 3.687 1.00 0.00 C ATOM 1216 O ASP A 83 6.632 -1.207 2.920 1.00 0.00 O ATOM 1217 CB ASP A 83 8.424 -3.783 4.145 1.00 0.00 C ATOM 1218 CG ASP A 83 9.522 -3.496 3.126 1.00 0.00 C ATOM 1219 OD1 ASP A 83 10.313 -2.552 3.367 1.00 0.00 O ATOM 1220 OD2 ASP A 83 9.652 -4.231 2.125 1.00 0.00 O ATOM 0 H ASP A 83 7.225 -3.542 6.320 1.00 0.00 H new ATOM 0 HA ASP A 83 8.445 -1.694 4.479 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.855 -4.274 5.018 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.699 -4.474 3.716 1.00 0.00 H new ATOM 1225 N ILE A 84 5.402 -2.843 3.872 1.00 0.00 N ATOM 1226 CA ILE A 84 4.105 -2.571 3.245 1.00 0.00 C ATOM 1227 C ILE A 84 3.656 -1.119 3.533 1.00 0.00 C ATOM 1228 O ILE A 84 3.120 -0.460 2.648 1.00 0.00 O ATOM 1229 CB ILE A 84 3.089 -3.604 3.795 1.00 0.00 C ATOM 1230 CG1 ILE A 84 3.535 -5.062 3.521 1.00 0.00 C ATOM 1231 CG2 ILE A 84 1.690 -3.366 3.209 1.00 0.00 C ATOM 1232 CD1 ILE A 84 2.846 -6.085 4.423 1.00 0.00 C ATOM 0 H ILE A 84 5.365 -3.648 4.497 1.00 0.00 H new ATOM 0 HA ILE A 84 4.173 -2.668 2.161 1.00 0.00 H new ATOM 0 HB ILE A 84 3.051 -3.463 4.875 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.328 -5.308 2.480 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.614 -5.136 3.657 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.997 -4.104 3.611 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.349 -2.365 3.475 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.729 -3.459 2.124 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.204 -7.085 4.178 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.074 -5.863 5.465 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.768 -6.038 4.269 1.00 0.00 H new ATOM 1244 N VAL A 85 3.850 -0.585 4.742 1.00 0.00 N ATOM 1245 CA VAL A 85 3.522 0.807 5.058 1.00 0.00 C ATOM 1246 C VAL A 85 4.429 1.766 4.286 1.00 0.00 C ATOM 1247 O VAL A 85 3.931 2.741 3.709 1.00 0.00 O ATOM 1248 CB VAL A 85 3.564 0.981 6.582 1.00 0.00 C ATOM 1249 CG1 VAL A 85 3.593 2.439 7.046 1.00 0.00 C ATOM 1250 CG2 VAL A 85 2.371 0.273 7.242 1.00 0.00 C ATOM 0 H VAL A 85 4.239 -1.105 5.528 1.00 0.00 H new ATOM 0 HA VAL A 85 2.513 1.058 4.732 1.00 0.00 H new ATOM 0 HB VAL A 85 4.505 0.527 6.894 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.622 2.474 8.135 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.478 2.931 6.644 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.699 2.952 6.690 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.420 0.409 8.322 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.441 0.698 6.864 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.404 -0.791 7.008 1.00 0.00 H new ATOM 1260 N LYS A 86 5.737 1.481 4.228 1.00 0.00 N ATOM 1261 CA LYS A 86 6.657 2.246 3.388 1.00 0.00 C ATOM 1262 C LYS A 86 6.154 2.254 1.951 1.00 0.00 C ATOM 1263 O LYS A 86 5.981 3.320 1.377 1.00 0.00 O ATOM 1264 CB LYS A 86 8.079 1.658 3.481 1.00 0.00 C ATOM 1265 CG LYS A 86 9.109 2.713 3.898 1.00 0.00 C ATOM 1266 CD LYS A 86 10.498 2.075 4.038 1.00 0.00 C ATOM 1267 CE LYS A 86 11.375 2.962 4.920 1.00 0.00 C ATOM 1268 NZ LYS A 86 12.612 2.296 5.353 1.00 0.00 N ATOM 0 H LYS A 86 6.178 0.726 4.754 1.00 0.00 H new ATOM 0 HA LYS A 86 6.700 3.276 3.742 1.00 0.00 H new ATOM 0 HB2 LYS A 86 8.087 0.839 4.201 1.00 0.00 H new ATOM 0 HB3 LYS A 86 8.361 1.237 2.516 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.141 3.512 3.157 1.00 0.00 H new ATOM 0 HG3 LYS A 86 8.813 3.167 4.844 1.00 0.00 H new ATOM 0 HD2 LYS A 86 10.411 1.080 4.475 1.00 0.00 H new ATOM 0 HD3 LYS A 86 10.955 1.953 3.056 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.630 3.870 4.374 1.00 0.00 H new ATOM 0 HE3 LYS A 86 10.806 3.267 5.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 13.166 2.945 5.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 12.374 1.444 5.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.172 2.028 4.519 1.00 0.00 H new ATOM 1282 N LEU A 87 5.814 1.082 1.432 1.00 0.00 N ATOM 1283 CA LEU A 87 5.255 0.784 0.127 1.00 0.00 C ATOM 1284 C LEU A 87 4.064 1.659 -0.244 1.00 0.00 C ATOM 1285 O LEU A 87 3.945 2.046 -1.407 1.00 0.00 O ATOM 1286 CB LEU A 87 4.846 -0.699 0.157 1.00 0.00 C ATOM 1287 CG LEU A 87 5.584 -1.670 -0.754 1.00 0.00 C ATOM 1288 CD1 LEU A 87 4.875 -1.670 -2.093 1.00 0.00 C ATOM 1289 CD2 LEU A 87 7.093 -1.432 -0.850 1.00 0.00 C ATOM 0 H LEU A 87 5.938 0.228 1.976 1.00 0.00 H new ATOM 0 HA LEU A 87 6.004 0.992 -0.637 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.958 -1.054 1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.785 -0.756 -0.086 1.00 0.00 H new ATOM 0 HG LEU A 87 5.542 -2.667 -0.316 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.380 -2.357 -2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.841 -1.988 -1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.893 -0.665 -2.514 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.536 -2.169 -1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.279 -0.431 -1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.540 -1.526 0.140 1.00 0.00 H new ATOM 1301 N ILE A 88 3.173 1.965 0.700 1.00 0.00 N ATOM 1302 CA ILE A 88 1.991 2.774 0.448 1.00 0.00 C ATOM 1303 C ILE A 88 2.404 4.238 0.334 1.00 0.00 C ATOM 1304 O ILE A 88 1.956 4.916 -0.591 1.00 0.00 O ATOM 1305 CB ILE A 88 0.957 2.534 1.561 1.00 0.00 C ATOM 1306 CG1 ILE A 88 0.415 1.087 1.489 1.00 0.00 C ATOM 1307 CG2 ILE A 88 -0.215 3.526 1.463 1.00 0.00 C ATOM 1308 CD1 ILE A 88 -0.273 0.604 2.771 1.00 0.00 C ATOM 0 H ILE A 88 3.257 1.653 1.668 1.00 0.00 H new ATOM 0 HA ILE A 88 1.520 2.491 -0.493 1.00 0.00 H new ATOM 0 HB ILE A 88 1.460 2.688 2.515 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.293 1.018 0.663 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.241 0.414 1.258 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.927 3.328 2.264 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.162 4.545 1.556 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.711 3.409 0.500 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.622 -0.419 2.633 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.435 0.637 3.599 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.122 1.250 2.994 1.00 0.00 H new ATOM 1320 N LYS A 89 3.242 4.748 1.243 1.00 0.00 N ATOM 1321 CA LYS A 89 3.785 6.096 1.097 1.00 0.00 C ATOM 1322 C LYS A 89 4.531 6.224 -0.241 1.00 0.00 C ATOM 1323 O LYS A 89 4.263 7.129 -1.031 1.00 0.00 O ATOM 1324 CB LYS A 89 4.689 6.387 2.299 1.00 0.00 C ATOM 1325 CG LYS A 89 4.964 7.889 2.395 1.00 0.00 C ATOM 1326 CD LYS A 89 5.964 8.155 3.518 1.00 0.00 C ATOM 1327 CE LYS A 89 6.526 9.579 3.536 1.00 0.00 C ATOM 1328 NZ LYS A 89 5.544 10.620 3.888 1.00 0.00 N ATOM 0 H LYS A 89 3.554 4.252 2.078 1.00 0.00 H new ATOM 0 HA LYS A 89 2.984 6.835 1.081 1.00 0.00 H new ATOM 0 HB2 LYS A 89 4.214 6.037 3.215 1.00 0.00 H new ATOM 0 HB3 LYS A 89 5.628 5.843 2.199 1.00 0.00 H new ATOM 0 HG2 LYS A 89 5.358 8.258 1.448 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.036 8.428 2.586 1.00 0.00 H new ATOM 0 HD2 LYS A 89 5.480 7.956 4.474 1.00 0.00 H new ATOM 0 HD3 LYS A 89 6.791 7.451 3.426 1.00 0.00 H new ATOM 0 HE2 LYS A 89 7.351 9.621 4.247 1.00 0.00 H new ATOM 0 HE3 LYS A 89 6.940 9.805 2.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 6.006 11.551 3.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 4.766 10.611 3.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 5.165 10.433 4.838 1.00 0.00 H new ATOM 1342 N ASP A 90 5.438 5.290 -0.496 1.00 0.00 N ATOM 1343 CA ASP A 90 6.256 5.116 -1.690 1.00 0.00 C ATOM 1344 C ASP A 90 5.423 4.962 -2.964 1.00 0.00 C ATOM 1345 O ASP A 90 5.938 5.227 -4.045 1.00 0.00 O ATOM 1346 CB ASP A 90 7.143 3.883 -1.463 1.00 0.00 C ATOM 1347 CG ASP A 90 7.917 3.446 -2.698 1.00 0.00 C ATOM 1348 OD1 ASP A 90 8.942 4.086 -3.037 1.00 0.00 O ATOM 1349 OD2 ASP A 90 7.549 2.410 -3.299 1.00 0.00 O ATOM 0 H ASP A 90 5.639 4.566 0.194 1.00 0.00 H new ATOM 0 HA ASP A 90 6.859 6.011 -1.843 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.849 4.098 -0.661 1.00 0.00 H new ATOM 0 HB3 ASP A 90 6.519 3.056 -1.125 1.00 0.00 H new ATOM 1354 N ALA A 91 4.135 4.610 -2.865 1.00 0.00 N ATOM 1355 CA ALA A 91 3.268 4.503 -4.034 1.00 0.00 C ATOM 1356 C ALA A 91 3.137 5.832 -4.796 1.00 0.00 C ATOM 1357 O ALA A 91 2.888 5.816 -6.007 1.00 0.00 O ATOM 1358 CB ALA A 91 1.886 4.006 -3.603 1.00 0.00 C ATOM 0 H ALA A 91 3.673 4.395 -1.981 1.00 0.00 H new ATOM 0 HA ALA A 91 3.727 3.789 -4.718 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.239 3.926 -4.477 1.00 0.00 H new ATOM 0 HB2 ALA A 91 1.982 3.028 -3.132 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.452 4.710 -2.893 1.00 0.00 H new ATOM 1364 N GLY A 92 3.305 6.965 -4.099 1.00 0.00 N ATOM 1365 CA GLY A 92 3.080 8.302 -4.624 1.00 0.00 C ATOM 1366 C GLY A 92 1.746 8.841 -4.124 1.00 0.00 C ATOM 1367 O GLY A 92 1.318 8.504 -3.012 1.00 0.00 O ATOM 0 H GLY A 92 3.611 6.967 -3.126 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.888 8.964 -4.314 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.087 8.280 -5.714 1.00 0.00 H new ATOM 1371 N LEU A 93 1.104 9.722 -4.898 1.00 0.00 N ATOM 1372 CA LEU A 93 -0.291 10.108 -4.634 1.00 0.00 C ATOM 1373 C LEU A 93 -1.230 8.989 -4.976 1.00 0.00 C ATOM 1374 O LEU A 93 -2.274 8.858 -4.352 1.00 0.00 O ATOM 1375 CB LEU A 93 -0.755 11.286 -5.495 1.00 0.00 C ATOM 1376 CG LEU A 93 0.035 12.536 -5.170 1.00 0.00 C ATOM 1377 CD1 LEU A 93 -0.471 13.735 -5.967 1.00 0.00 C ATOM 1378 CD2 LEU A 93 -0.062 12.896 -3.686 1.00 0.00 C ATOM 0 H LEU A 93 1.522 10.180 -5.708 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.312 10.369 -3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.636 11.040 -6.550 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.817 11.468 -5.328 1.00 0.00 H new ATOM 0 HG LEU A 93 1.070 12.316 -5.433 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.117 14.616 -5.711 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.373 13.531 -7.033 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.519 13.915 -5.727 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.518 13.798 -3.492 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.105 13.071 -3.421 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.332 12.076 -3.086 1.00 0.00 H new ATOM 1390 N SER A 94 -0.872 8.224 -5.987 1.00 0.00 N ATOM 1391 CA SER A 94 -1.684 7.120 -6.456 1.00 0.00 C ATOM 1392 C SER A 94 -1.200 5.851 -5.764 1.00 0.00 C ATOM 1393 O SER A 94 -0.007 5.701 -5.500 1.00 0.00 O ATOM 1394 CB SER A 94 -1.608 6.990 -7.981 1.00 0.00 C ATOM 1395 OG SER A 94 -1.289 8.221 -8.614 1.00 0.00 O ATOM 0 H SER A 94 -0.005 8.351 -6.509 1.00 0.00 H new ATOM 0 HA SER A 94 -2.731 7.295 -6.211 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.857 6.245 -8.242 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.563 6.626 -8.360 1.00 0.00 H new ATOM 0 HG SER A 94 -2.112 8.727 -8.779 1.00 0.00 H new ATOM 1401 N VAL A 95 -2.104 4.928 -5.461 1.00 0.00 N ATOM 1402 CA VAL A 95 -1.789 3.583 -5.025 1.00 0.00 C ATOM 1403 C VAL A 95 -2.814 2.690 -5.700 1.00 0.00 C ATOM 1404 O VAL A 95 -3.979 3.079 -5.805 1.00 0.00 O ATOM 1405 CB VAL A 95 -1.826 3.509 -3.485 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -3.210 3.769 -2.861 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -1.320 2.153 -2.997 1.00 0.00 C ATOM 0 H VAL A 95 -3.107 5.105 -5.515 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.785 3.263 -5.302 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.172 4.316 -3.155 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.139 3.696 -1.776 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.552 4.767 -3.136 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.920 3.028 -3.229 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.355 2.122 -1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.951 1.362 -3.403 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.293 2.006 -3.332 1.00 0.00 H new ATOM 1417 N THR A 96 -2.404 1.496 -6.113 1.00 0.00 N ATOM 1418 CA THR A 96 -3.283 0.493 -6.665 1.00 0.00 C ATOM 1419 C THR A 96 -3.283 -0.677 -5.690 1.00 0.00 C ATOM 1420 O THR A 96 -2.323 -1.451 -5.622 1.00 0.00 O ATOM 1421 CB THR A 96 -2.847 0.131 -8.090 1.00 0.00 C ATOM 1422 OG1 THR A 96 -2.676 1.293 -8.877 1.00 0.00 O ATOM 1423 CG2 THR A 96 -3.949 -0.707 -8.719 1.00 0.00 C ATOM 0 H THR A 96 -1.429 1.200 -6.069 1.00 0.00 H new ATOM 0 HA THR A 96 -4.308 0.848 -6.772 1.00 0.00 H new ATOM 0 HB THR A 96 -1.901 -0.409 -8.046 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.396 1.038 -9.781 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.664 -0.979 -9.735 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.099 -1.612 -8.130 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.875 -0.132 -8.743 1.00 0.00 H new ATOM 1431 N LEU A 97 -4.346 -0.787 -4.899 1.00 0.00 N ATOM 1432 CA LEU A 97 -4.476 -1.768 -3.830 1.00 0.00 C ATOM 1433 C LEU A 97 -5.110 -2.997 -4.446 1.00 0.00 C ATOM 1434 O LEU A 97 -6.241 -2.944 -4.934 1.00 0.00 O ATOM 1435 CB LEU A 97 -5.363 -1.235 -2.695 1.00 0.00 C ATOM 1436 CG LEU A 97 -4.701 -0.090 -1.917 1.00 0.00 C ATOM 1437 CD1 LEU A 97 -5.733 0.654 -1.074 1.00 0.00 C ATOM 1438 CD2 LEU A 97 -3.561 -0.573 -1.018 1.00 0.00 C ATOM 0 H LEU A 97 -5.161 -0.180 -4.987 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.501 -1.992 -3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.309 -0.888 -3.111 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.596 -2.049 -2.008 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.275 0.584 -2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.244 1.462 -0.530 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.503 1.068 -1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.190 -0.036 -0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.128 0.277 -0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.948 -1.290 -0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.794 -1.051 -1.628 1.00 0.00 H new ATOM 1450 N ARG A 98 -4.354 -4.089 -4.466 1.00 0.00 N ATOM 1451 CA ARG A 98 -4.809 -5.336 -5.063 1.00 0.00 C ATOM 1452 C ARG A 98 -5.588 -6.107 -4.010 1.00 0.00 C ATOM 1453 O ARG A 98 -5.004 -6.543 -3.011 1.00 0.00 O ATOM 1454 CB ARG A 98 -3.641 -6.130 -5.668 1.00 0.00 C ATOM 1455 CG ARG A 98 -4.094 -6.886 -6.929 1.00 0.00 C ATOM 1456 CD ARG A 98 -2.920 -7.531 -7.672 1.00 0.00 C ATOM 1457 NE ARG A 98 -2.103 -6.531 -8.387 1.00 0.00 N ATOM 1458 CZ ARG A 98 -1.068 -6.809 -9.188 1.00 0.00 C ATOM 1459 NH1 ARG A 98 -0.584 -8.041 -9.238 1.00 0.00 N ATOM 1460 NH2 ARG A 98 -0.507 -5.847 -9.907 1.00 0.00 N ATOM 0 H ARG A 98 -3.415 -4.134 -4.071 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.473 -5.138 -5.904 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -2.825 -5.452 -5.918 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -3.255 -6.837 -4.933 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -4.812 -7.657 -6.650 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -4.610 -6.197 -7.598 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -2.293 -8.070 -6.962 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -3.300 -8.265 -8.383 1.00 0.00 H new ATOM 0 HE ARG A 98 -2.347 -5.549 -8.260 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -1.000 -8.776 -8.666 1.00 0.00 H new ATOM 0 HH12 ARG A 98 0.205 -8.255 -9.848 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -0.864 -4.893 -9.850 1.00 0.00 H new ATOM 0 HH22 ARG A 98 0.282 -6.060 -10.517 1.00 0.00 H new ATOM 1474 N ILE A 99 -6.896 -6.247 -4.213 1.00 0.00 N ATOM 1475 CA ILE A 99 -7.823 -6.861 -3.267 1.00 0.00 C ATOM 1476 C ILE A 99 -8.381 -8.164 -3.839 1.00 0.00 C ATOM 1477 O ILE A 99 -8.232 -8.435 -5.036 1.00 0.00 O ATOM 1478 CB ILE A 99 -8.925 -5.859 -2.857 1.00 0.00 C ATOM 1479 CG1 ILE A 99 -9.872 -5.440 -4.006 1.00 0.00 C ATOM 1480 CG2 ILE A 99 -8.289 -4.608 -2.229 1.00 0.00 C ATOM 1481 CD1 ILE A 99 -11.131 -6.309 -4.107 1.00 0.00 C ATOM 0 H ILE A 99 -7.353 -5.926 -5.066 1.00 0.00 H new ATOM 0 HA ILE A 99 -7.288 -7.122 -2.354 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.547 -6.385 -2.133 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -10.168 -4.401 -3.862 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.329 -5.489 -4.950 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.072 -3.906 -1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.718 -4.894 -1.346 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.625 -4.135 -2.953 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -11.749 -5.959 -4.934 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -10.844 -7.346 -4.282 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.696 -6.241 -3.177 1.00 0.00 H new ATOM 1493 N ILE A 100 -9.044 -8.954 -2.989 1.00 0.00 N ATOM 1494 CA ILE A 100 -9.768 -10.147 -3.395 1.00 0.00 C ATOM 1495 C ILE A 100 -11.253 -9.777 -3.546 1.00 0.00 C ATOM 1496 O ILE A 100 -11.851 -9.287 -2.578 1.00 0.00 O ATOM 1497 CB ILE A 100 -9.545 -11.316 -2.418 1.00 0.00 C ATOM 1498 CG1 ILE A 100 -8.067 -11.768 -2.396 1.00 0.00 C ATOM 1499 CG2 ILE A 100 -10.412 -12.495 -2.886 1.00 0.00 C ATOM 1500 CD1 ILE A 100 -7.179 -10.989 -1.418 1.00 0.00 C ATOM 0 H ILE A 100 -9.089 -8.774 -1.986 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.389 -10.502 -4.353 1.00 0.00 H new ATOM 0 HB ILE A 100 -9.813 -10.990 -1.413 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.028 -12.826 -2.139 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.655 -11.668 -3.400 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -10.273 -13.339 -2.210 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -11.461 -12.198 -2.885 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -10.118 -12.785 -3.895 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.160 -11.372 -1.468 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.183 -9.932 -1.685 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.562 -11.108 -0.405 1.00 0.00 H new