USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 674 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 41 MET CE :methyl -155:sc= -0.21 (180deg=-1.11) USER MOD Set 1.2: A 116 CYS SG : rot 77:sc= 0.903 USER MOD Single : A 33 SER OG : rot -43:sc= -0.129 USER MOD Single : A 37 LYS NZ :NH3+ 150:sc= -0.488 (180deg=-1.28) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HE2:sc= 1.02 K(o=1,f=-3.7!) USER MOD Single : A 48 LYS NZ :NH3+ -150:sc= 0.328! (180deg=-1.65!) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 172:sc= -2.15! USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot 170:sc= -6.41! USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 84 GLN : amide:sc= -0.641 X(o=-0.64,f=-0.88) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -154:sc= -0.155 (180deg=-0.924) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN :FLIP amide:sc= -1.34! C(o=-7.2!,f=-1.3!) USER MOD Single : A 98 HIS : no HD1:sc= -2.24 X(o=-2.2,f=-2.7!) USER MOD Single : A 105 THR OG1 : rot -34:sc= 0.055 USER MOD Single : A 106 THR OG1 : rot 180:sc= -4.83! USER MOD Single : A 114 GLN : amide:sc= -0.257 X(o=-0.26,f=-0.35) USER MOD Single : A 120 LYS NZ :NH3+ -177:sc= 0.271 (180deg=0.0278) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 128 GLN : amide:sc= -0.0445 K(o=-0.044,f=-2.6!) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 133 N SER A 33 -0.115 -12.685 8.495 1.00 0.00 N ATOM 134 CA SER A 33 -0.503 -12.515 9.889 1.00 0.00 C ATOM 135 C SER A 33 -1.788 -13.272 10.198 1.00 0.00 C ATOM 136 O SER A 33 -1.855 -14.030 11.165 1.00 0.00 O ATOM 137 CB SER A 33 -0.707 -11.029 10.195 1.00 0.00 C ATOM 138 OG SER A 33 -1.722 -10.509 9.347 1.00 0.00 O ATOM 0 HA SER A 33 0.296 -12.916 10.512 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.987 -10.896 11.240 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.224 -10.484 10.043 1.00 0.00 H new ATOM 0 HG SER A 33 -1.595 -10.850 8.437 1.00 0.00 H new ATOM 144 N LEU A 34 -2.803 -13.064 9.368 1.00 0.00 N ATOM 145 CA LEU A 34 -4.087 -13.722 9.572 1.00 0.00 C ATOM 146 C LEU A 34 -3.888 -15.152 10.059 1.00 0.00 C ATOM 147 O LEU A 34 -4.605 -15.620 10.945 1.00 0.00 O ATOM 148 CB LEU A 34 -4.885 -13.730 8.266 1.00 0.00 C ATOM 149 CG LEU A 34 -6.223 -14.436 8.487 1.00 0.00 C ATOM 150 CD1 LEU A 34 -7.001 -13.727 9.598 1.00 0.00 C ATOM 151 CD2 LEU A 34 -7.038 -14.400 7.192 1.00 0.00 C ATOM 0 H LEU A 34 -2.763 -12.450 8.554 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.639 -13.168 10.331 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.053 -12.709 7.925 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.319 -14.238 7.485 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.042 -15.471 8.776 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.954 -14.232 9.754 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.422 -13.752 10.521 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.182 -12.691 9.312 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.992 -14.903 7.348 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.217 -13.364 6.903 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.486 -14.907 6.401 1.00 0.00 H new ATOM 163 N GLU A 35 -2.914 -15.839 9.475 1.00 0.00 N ATOM 164 CA GLU A 35 -2.633 -17.217 9.858 1.00 0.00 C ATOM 165 C GLU A 35 -2.120 -17.279 11.294 1.00 0.00 C ATOM 166 O GLU A 35 -2.540 -18.129 12.077 1.00 0.00 O ATOM 167 CB GLU A 35 -1.586 -17.815 8.916 1.00 0.00 C ATOM 168 CG GLU A 35 -1.702 -19.341 8.926 1.00 0.00 C ATOM 169 CD GLU A 35 -2.943 -19.773 8.152 1.00 0.00 C ATOM 170 OE1 GLU A 35 -3.571 -18.916 7.553 1.00 0.00 O ATOM 171 OE2 GLU A 35 -3.245 -20.955 8.169 1.00 0.00 O ATOM 0 H GLU A 35 -2.310 -15.469 8.741 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.557 -17.791 9.788 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.732 -17.435 7.905 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.586 -17.514 9.228 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.812 -19.785 8.480 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.759 -19.703 9.952 1.00 0.00 H new ATOM 178 N GLU A 36 -1.209 -16.372 11.634 1.00 0.00 N ATOM 179 CA GLU A 36 -0.645 -16.334 12.980 1.00 0.00 C ATOM 180 C GLU A 36 -1.725 -15.992 14.001 1.00 0.00 C ATOM 181 O GLU A 36 -1.784 -16.586 15.078 1.00 0.00 O ATOM 182 CB GLU A 36 0.471 -15.291 13.045 1.00 0.00 C ATOM 183 CG GLU A 36 1.645 -15.744 12.175 1.00 0.00 C ATOM 184 CD GLU A 36 2.666 -14.618 12.047 1.00 0.00 C ATOM 185 OE1 GLU A 36 3.652 -14.814 11.357 1.00 0.00 O ATOM 186 OE2 GLU A 36 2.444 -13.575 12.640 1.00 0.00 O ATOM 0 H GLU A 36 -0.847 -15.658 11.001 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.238 -17.317 13.215 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.101 -14.325 12.701 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.799 -15.158 14.076 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.115 -16.624 12.614 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.286 -16.034 11.188 1.00 0.00 H new ATOM 193 N LYS A 37 -2.579 -15.034 13.655 1.00 0.00 N ATOM 194 CA LYS A 37 -3.650 -14.622 14.555 1.00 0.00 C ATOM 195 C LYS A 37 -4.513 -15.816 14.942 1.00 0.00 C ATOM 196 O LYS A 37 -4.806 -16.024 16.120 1.00 0.00 O ATOM 197 CB LYS A 37 -4.520 -13.562 13.873 1.00 0.00 C ATOM 198 CG LYS A 37 -5.538 -13.017 14.873 1.00 0.00 C ATOM 199 CD LYS A 37 -6.235 -11.789 14.282 1.00 0.00 C ATOM 200 CE LYS A 37 -5.204 -10.683 14.046 1.00 0.00 C ATOM 201 NZ LYS A 37 -5.828 -9.356 14.308 1.00 0.00 N ATOM 0 H LYS A 37 -2.551 -14.533 12.767 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.203 -14.204 15.457 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.896 -12.752 13.496 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.034 -13.995 13.015 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.274 -13.785 15.113 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.040 -12.751 15.805 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.724 -12.051 13.344 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.013 -11.437 14.960 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.344 -10.828 14.700 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.836 -10.727 13.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.103 -8.692 14.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.249 -8.991 13.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.569 -9.457 15.031 1.00 0.00 H new ATOM 215 N ILE A 38 -4.913 -16.600 13.948 1.00 0.00 N ATOM 216 CA ILE A 38 -5.741 -17.774 14.200 1.00 0.00 C ATOM 217 C ILE A 38 -4.983 -18.789 15.052 1.00 0.00 C ATOM 218 O ILE A 38 -5.535 -19.361 15.991 1.00 0.00 O ATOM 219 CB ILE A 38 -6.147 -18.419 12.874 1.00 0.00 C ATOM 220 CG1 ILE A 38 -7.075 -17.470 12.112 1.00 0.00 C ATOM 221 CG2 ILE A 38 -6.883 -19.732 13.150 1.00 0.00 C ATOM 222 CD1 ILE A 38 -7.268 -17.983 10.684 1.00 0.00 C ATOM 0 H ILE A 38 -4.680 -16.446 12.967 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.635 -17.459 14.739 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.256 -18.618 12.278 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.038 -17.401 12.618 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.651 -16.466 12.095 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.173 -20.192 12.205 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.227 -20.409 13.697 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.774 -19.531 13.744 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.929 -17.307 10.141 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.302 -18.029 10.180 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.710 -18.979 10.712 1.00 0.00 H new ATOM 234 N LYS A 39 -3.717 -19.009 14.716 1.00 0.00 N ATOM 235 CA LYS A 39 -2.895 -19.962 15.455 1.00 0.00 C ATOM 236 C LYS A 39 -2.766 -19.533 16.912 1.00 0.00 C ATOM 237 O LYS A 39 -2.796 -20.367 17.818 1.00 0.00 O ATOM 238 CB LYS A 39 -1.504 -20.048 14.821 1.00 0.00 C ATOM 239 CG LYS A 39 -1.613 -20.698 13.440 1.00 0.00 C ATOM 240 CD LYS A 39 -0.309 -20.483 12.667 1.00 0.00 C ATOM 241 CE LYS A 39 0.706 -21.557 13.055 1.00 0.00 C ATOM 242 NZ LYS A 39 1.796 -21.599 12.042 1.00 0.00 N ATOM 0 H LYS A 39 -3.240 -18.545 13.943 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.374 -20.940 15.416 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.070 -19.052 14.733 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.838 -20.630 15.457 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.815 -21.764 13.544 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.449 -20.267 12.889 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.501 -20.521 11.595 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.094 -19.494 12.884 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.119 -21.343 14.041 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.217 -22.529 13.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.487 -22.330 12.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.394 -21.823 11.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.269 -20.674 12.002 1.00 0.00 H new ATOM 256 N LEU A 40 -2.619 -18.229 17.131 1.00 0.00 N ATOM 257 CA LEU A 40 -2.489 -17.706 18.486 1.00 0.00 C ATOM 258 C LEU A 40 -3.792 -17.881 19.262 1.00 0.00 C ATOM 259 O LEU A 40 -3.793 -18.368 20.391 1.00 0.00 O ATOM 260 CB LEU A 40 -2.120 -16.222 18.437 1.00 0.00 C ATOM 261 CG LEU A 40 -2.014 -15.672 19.861 1.00 0.00 C ATOM 262 CD1 LEU A 40 -0.976 -16.478 20.645 1.00 0.00 C ATOM 263 CD2 LEU A 40 -1.586 -14.204 19.809 1.00 0.00 C ATOM 0 H LEU A 40 -2.587 -17.523 16.396 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.702 -18.263 18.994 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.173 -16.089 17.914 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.874 -15.668 17.877 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.983 -15.752 20.354 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.901 -16.086 21.659 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.280 -17.524 20.682 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.007 -16.399 20.153 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.510 -13.811 20.823 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.617 -14.125 19.316 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.325 -13.629 19.251 1.00 0.00 H new ATOM 275 N MET A 41 -4.899 -17.483 18.645 1.00 0.00 N ATOM 276 CA MET A 41 -6.205 -17.599 19.281 1.00 0.00 C ATOM 277 C MET A 41 -6.585 -19.065 19.455 1.00 0.00 C ATOM 278 O MET A 41 -7.298 -19.427 20.391 1.00 0.00 O ATOM 279 CB MET A 41 -7.263 -16.885 18.440 1.00 0.00 C ATOM 280 CG MET A 41 -7.131 -15.372 18.626 1.00 0.00 C ATOM 281 SD MET A 41 -7.531 -14.931 20.336 1.00 0.00 S ATOM 282 CE MET A 41 -9.316 -15.210 20.229 1.00 0.00 C ATOM 0 H MET A 41 -4.918 -17.079 17.709 1.00 0.00 H new ATOM 0 HA MET A 41 -6.154 -17.131 20.264 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.142 -17.144 17.388 1.00 0.00 H new ATOM 0 HB3 MET A 41 -8.260 -17.212 18.736 1.00 0.00 H new ATOM 0 HG2 MET A 41 -6.117 -15.053 18.386 1.00 0.00 H new ATOM 0 HG3 MET A 41 -7.799 -14.852 17.940 1.00 0.00 H new ATOM 0 HE1 MET A 41 -9.824 -14.606 20.981 1.00 0.00 H new ATOM 0 HE2 MET A 41 -9.670 -14.928 19.237 1.00 0.00 H new ATOM 0 HE3 MET A 41 -9.531 -16.264 20.405 1.00 0.00 H new ATOM 292 N ARG A 42 -6.109 -19.904 18.541 1.00 0.00 N ATOM 293 CA ARG A 42 -6.408 -21.328 18.600 1.00 0.00 C ATOM 294 C ARG A 42 -5.793 -21.955 19.847 1.00 0.00 C ATOM 295 O ARG A 42 -6.181 -23.049 20.259 1.00 0.00 O ATOM 296 CB ARG A 42 -5.867 -22.035 17.352 1.00 0.00 C ATOM 297 CG ARG A 42 -6.948 -22.070 16.269 1.00 0.00 C ATOM 298 CD ARG A 42 -6.664 -23.221 15.307 1.00 0.00 C ATOM 299 NE ARG A 42 -5.350 -23.062 14.694 1.00 0.00 N ATOM 300 CZ ARG A 42 -5.222 -22.748 13.409 1.00 0.00 C ATOM 301 NH1 ARG A 42 -4.034 -22.610 12.886 1.00 0.00 N ATOM 302 NH2 ARG A 42 -6.284 -22.579 12.669 1.00 0.00 N ATOM 0 H ARG A 42 -5.519 -19.625 17.757 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.491 -21.447 18.642 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -4.984 -21.514 16.981 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.557 -23.049 17.603 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.930 -22.196 16.724 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.966 -21.124 15.727 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.710 -24.170 15.842 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.431 -23.254 14.533 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.513 -23.194 15.262 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.204 -22.743 13.464 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.936 -22.369 11.900 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.212 -22.688 13.077 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.185 -22.338 11.683 1.00 0.00 H new ATOM 316 N LEU A 43 -4.833 -21.258 20.440 1.00 0.00 N ATOM 317 CA LEU A 43 -4.173 -21.750 21.642 1.00 0.00 C ATOM 318 C LEU A 43 -4.826 -21.171 22.892 1.00 0.00 C ATOM 319 O LEU A 43 -4.953 -21.852 23.910 1.00 0.00 O ATOM 320 CB LEU A 43 -2.688 -21.378 21.614 1.00 0.00 C ATOM 321 CG LEU A 43 -1.909 -22.436 20.828 1.00 0.00 C ATOM 322 CD1 LEU A 43 -0.451 -21.997 20.690 1.00 0.00 C ATOM 323 CD2 LEU A 43 -1.969 -23.776 21.575 1.00 0.00 C ATOM 0 H LEU A 43 -4.495 -20.354 20.110 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.273 -22.835 21.668 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.557 -20.399 21.154 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.301 -21.307 22.631 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.351 -22.551 19.838 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.104 -22.750 20.130 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.406 -21.045 20.161 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.010 -21.883 21.680 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.415 -24.530 21.016 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.527 -23.661 22.565 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.008 -24.090 21.676 1.00 0.00 H new ATOM 335 N VAL A 44 -5.227 -19.908 22.809 1.00 0.00 N ATOM 336 CA VAL A 44 -5.857 -19.244 23.942 1.00 0.00 C ATOM 337 C VAL A 44 -7.173 -19.934 24.299 1.00 0.00 C ATOM 338 O VAL A 44 -7.448 -20.196 25.470 1.00 0.00 O ATOM 339 CB VAL A 44 -6.122 -17.776 23.605 1.00 0.00 C ATOM 340 CG1 VAL A 44 -6.735 -17.071 24.820 1.00 0.00 C ATOM 341 CG2 VAL A 44 -4.805 -17.093 23.229 1.00 0.00 C ATOM 0 H VAL A 44 -5.128 -19.328 21.976 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.184 -19.303 24.797 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.815 -17.717 22.766 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.923 -16.025 24.577 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.674 -17.556 25.087 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.045 -17.130 25.661 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.993 -16.047 22.989 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.111 -17.154 24.068 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.371 -17.592 22.362 1.00 0.00 H new ATOM 351 N VAL A 45 -7.980 -20.218 23.285 1.00 0.00 N ATOM 352 CA VAL A 45 -9.263 -20.875 23.501 1.00 0.00 C ATOM 353 C VAL A 45 -9.054 -22.284 24.047 1.00 0.00 C ATOM 354 O VAL A 45 -9.777 -22.730 24.930 1.00 0.00 O ATOM 355 CB VAL A 45 -10.048 -20.938 22.191 1.00 0.00 C ATOM 356 CG1 VAL A 45 -11.249 -21.870 22.359 1.00 0.00 C ATOM 357 CG2 VAL A 45 -10.542 -19.535 21.826 1.00 0.00 C ATOM 0 H VAL A 45 -7.771 -20.005 22.310 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.830 -20.296 24.230 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.402 -21.316 21.399 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.808 -21.915 21.425 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.900 -22.869 22.621 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.895 -21.492 23.151 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.102 -19.578 20.892 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.188 -19.159 22.619 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.688 -18.868 21.707 1.00 0.00 H new ATOM 367 N ARG A 46 -8.067 -22.982 23.501 1.00 0.00 N ATOM 368 CA ARG A 46 -7.777 -24.344 23.933 1.00 0.00 C ATOM 369 C ARG A 46 -7.272 -24.349 25.372 1.00 0.00 C ATOM 370 O ARG A 46 -7.207 -25.396 26.017 1.00 0.00 O ATOM 371 CB ARG A 46 -6.722 -24.971 23.019 1.00 0.00 C ATOM 372 CG ARG A 46 -6.747 -26.493 23.177 1.00 0.00 C ATOM 373 CD ARG A 46 -7.778 -27.090 22.216 1.00 0.00 C ATOM 374 NE ARG A 46 -7.862 -28.533 22.399 1.00 0.00 N ATOM 375 CZ ARG A 46 -8.638 -29.280 21.621 1.00 0.00 C ATOM 376 NH1 ARG A 46 -8.696 -30.571 21.804 1.00 0.00 N ATOM 377 NH2 ARG A 46 -9.342 -28.723 20.674 1.00 0.00 N ATOM 0 H ARG A 46 -7.457 -22.631 22.763 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.696 -24.927 23.877 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.917 -24.699 21.982 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.734 -24.585 23.269 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.760 -26.907 22.971 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.996 -26.758 24.205 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.754 -26.637 22.391 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.501 -26.862 21.187 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.316 -28.977 23.137 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.146 -31.006 22.544 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.292 -31.144 21.207 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.297 -27.714 20.531 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.938 -29.297 20.077 1.00 0.00 H new ATOM 391 N HIS A 47 -6.910 -23.171 25.872 1.00 0.00 N ATOM 392 CA HIS A 47 -6.410 -23.051 27.238 1.00 0.00 C ATOM 393 C HIS A 47 -7.159 -21.953 27.988 1.00 0.00 C ATOM 394 O HIS A 47 -6.611 -21.320 28.887 1.00 0.00 O ATOM 395 CB HIS A 47 -4.915 -22.735 27.221 1.00 0.00 C ATOM 396 CG HIS A 47 -4.167 -23.881 26.597 1.00 0.00 C ATOM 397 ND1 HIS A 47 -3.750 -23.859 25.276 1.00 0.00 N ATOM 398 CD2 HIS A 47 -3.753 -25.089 27.101 1.00 0.00 C ATOM 399 CE1 HIS A 47 -3.116 -25.020 25.031 1.00 0.00 C ATOM 400 NE2 HIS A 47 -3.090 -25.807 26.110 1.00 0.00 N ATOM 0 H HIS A 47 -6.953 -22.292 25.356 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.573 -23.999 27.750 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -4.733 -21.819 26.659 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -4.557 -22.563 28.236 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -3.897 -23.100 24.610 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -3.917 -25.430 28.112 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.681 -25.284 24.078 1.00 0.00 H new ATOM 407 N LYS A 48 -8.413 -21.734 27.612 1.00 0.00 N ATOM 408 CA LYS A 48 -9.228 -20.710 28.258 1.00 0.00 C ATOM 409 C LYS A 48 -9.599 -21.134 29.674 1.00 0.00 C ATOM 410 O LYS A 48 -9.797 -20.295 30.551 1.00 0.00 O ATOM 411 CB LYS A 48 -10.499 -20.473 27.438 1.00 0.00 C ATOM 412 CG LYS A 48 -11.297 -21.766 27.338 1.00 0.00 C ATOM 413 CD LYS A 48 -12.526 -21.541 26.456 1.00 0.00 C ATOM 414 CE LYS A 48 -13.332 -22.838 26.362 1.00 0.00 C ATOM 415 NZ LYS A 48 -14.543 -22.611 25.524 1.00 0.00 N ATOM 0 H LYS A 48 -8.886 -22.247 26.868 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.651 -19.787 28.313 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.105 -19.696 27.905 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.239 -20.118 26.441 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.676 -22.558 26.919 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.604 -22.094 28.331 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.144 -20.746 26.872 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.219 -21.219 25.461 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.720 -23.629 25.928 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.623 -23.171 27.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -15.308 -23.239 25.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.847 -21.621 25.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.320 -22.814 24.529 1.00 0.00 H new ATOM 429 N HIS A 49 -9.696 -22.441 29.889 1.00 0.00 N ATOM 430 CA HIS A 49 -10.051 -22.964 31.203 1.00 0.00 C ATOM 431 C HIS A 49 -8.980 -22.606 32.228 1.00 0.00 C ATOM 432 O HIS A 49 -9.291 -22.264 33.369 1.00 0.00 O ATOM 433 CB HIS A 49 -10.204 -24.487 31.133 1.00 0.00 C ATOM 434 CG HIS A 49 -11.620 -24.836 30.763 1.00 0.00 C ATOM 435 ND1 HIS A 49 -12.054 -24.866 29.447 1.00 0.00 N ATOM 436 CD2 HIS A 49 -12.713 -25.169 31.525 1.00 0.00 C ATOM 437 CE1 HIS A 49 -13.355 -25.206 29.456 1.00 0.00 C ATOM 438 NE2 HIS A 49 -13.808 -25.402 30.697 1.00 0.00 N ATOM 0 H HIS A 49 -9.535 -23.153 29.177 1.00 0.00 H new ATOM 0 HA HIS A 49 -10.996 -22.516 31.510 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -9.513 -24.898 30.397 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -9.948 -24.933 32.094 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -12.722 -25.239 32.603 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -13.960 -25.308 28.567 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -14.753 -25.666 30.978 1.00 0.00 H new ATOM 445 N GLU A 50 -7.721 -22.686 31.814 1.00 0.00 N ATOM 446 CA GLU A 50 -6.613 -22.367 32.706 1.00 0.00 C ATOM 447 C GLU A 50 -6.903 -21.092 33.487 1.00 0.00 C ATOM 448 O GLU A 50 -6.595 -19.989 33.033 1.00 0.00 O ATOM 449 CB GLU A 50 -5.325 -22.192 31.901 1.00 0.00 C ATOM 450 CG GLU A 50 -4.891 -23.544 31.330 1.00 0.00 C ATOM 451 CD GLU A 50 -3.640 -23.371 30.475 1.00 0.00 C ATOM 452 OE1 GLU A 50 -3.201 -22.243 30.323 1.00 0.00 O ATOM 453 OE2 GLU A 50 -3.140 -24.370 29.985 1.00 0.00 O ATOM 0 H GLU A 50 -7.443 -22.967 30.874 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.492 -23.191 33.409 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.483 -21.478 31.093 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.539 -21.785 32.537 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.693 -24.244 32.142 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.695 -23.970 30.730 1.00 0.00 H new ATOM 567 N SER A 57 -0.863 -13.254 34.899 1.00 0.00 N ATOM 568 CA SER A 57 0.253 -13.366 33.966 1.00 0.00 C ATOM 569 C SER A 57 0.567 -14.830 33.680 1.00 0.00 C ATOM 570 O SER A 57 0.816 -15.210 32.535 1.00 0.00 O ATOM 571 CB SER A 57 1.490 -12.681 34.548 1.00 0.00 C ATOM 572 OG SER A 57 2.556 -12.763 33.611 1.00 0.00 O ATOM 0 HA SER A 57 -0.027 -12.878 33.033 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.269 -11.638 34.775 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.777 -13.158 35.485 1.00 0.00 H new ATOM 0 HG SER A 57 3.308 -12.217 33.922 1.00 0.00 H new ATOM 578 N GLU A 58 0.551 -15.646 34.727 1.00 0.00 N ATOM 579 CA GLU A 58 0.835 -17.070 34.584 1.00 0.00 C ATOM 580 C GLU A 58 0.132 -17.636 33.354 1.00 0.00 C ATOM 581 O GLU A 58 0.573 -18.631 32.778 1.00 0.00 O ATOM 582 CB GLU A 58 0.370 -17.822 35.833 1.00 0.00 C ATOM 583 CG GLU A 58 0.741 -19.301 35.707 1.00 0.00 C ATOM 584 CD GLU A 58 0.371 -20.042 36.986 1.00 0.00 C ATOM 585 OE1 GLU A 58 -0.320 -19.460 37.806 1.00 0.00 O ATOM 586 OE2 GLU A 58 0.783 -21.182 37.128 1.00 0.00 O ATOM 0 H GLU A 58 0.345 -15.349 35.681 1.00 0.00 H new ATOM 0 HA GLU A 58 1.911 -17.197 34.463 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.834 -17.394 36.722 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.708 -17.716 35.954 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.221 -19.744 34.857 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.809 -19.401 35.515 1.00 0.00 H new ATOM 593 N PHE A 59 -0.963 -16.996 32.959 1.00 0.00 N ATOM 594 CA PHE A 59 -1.720 -17.445 31.795 1.00 0.00 C ATOM 595 C PHE A 59 -1.042 -16.987 30.507 1.00 0.00 C ATOM 596 O PHE A 59 -0.538 -17.803 29.736 1.00 0.00 O ATOM 597 CB PHE A 59 -3.144 -16.889 31.852 1.00 0.00 C ATOM 598 CG PHE A 59 -3.851 -17.183 30.552 1.00 0.00 C ATOM 599 CD1 PHE A 59 -4.115 -18.507 30.182 1.00 0.00 C ATOM 600 CD2 PHE A 59 -4.243 -16.131 29.715 1.00 0.00 C ATOM 601 CE1 PHE A 59 -4.772 -18.779 28.976 1.00 0.00 C ATOM 602 CE2 PHE A 59 -4.900 -16.403 28.509 1.00 0.00 C ATOM 603 CZ PHE A 59 -5.164 -17.728 28.140 1.00 0.00 C ATOM 0 H PHE A 59 -1.344 -16.171 33.423 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.756 -18.534 31.805 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.688 -17.337 32.684 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -3.119 -15.814 32.030 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.812 -19.319 30.827 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.038 -15.110 30.000 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.976 -19.800 28.691 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.203 -15.592 27.864 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.670 -17.938 27.210 1.00 0.00 H new ATOM 613 N TYR A 60 -1.037 -15.679 30.280 1.00 0.00 N ATOM 614 CA TYR A 60 -0.425 -15.123 29.079 1.00 0.00 C ATOM 615 C TYR A 60 1.037 -15.550 28.981 1.00 0.00 C ATOM 616 O TYR A 60 1.584 -15.680 27.887 1.00 0.00 O ATOM 617 CB TYR A 60 -0.510 -13.597 29.113 1.00 0.00 C ATOM 618 CG TYR A 60 -1.922 -13.177 29.437 1.00 0.00 C ATOM 619 CD1 TYR A 60 -2.346 -13.132 30.770 1.00 0.00 C ATOM 620 CD2 TYR A 60 -2.808 -12.833 28.409 1.00 0.00 C ATOM 621 CE1 TYR A 60 -3.656 -12.743 31.076 1.00 0.00 C ATOM 622 CE2 TYR A 60 -4.117 -12.444 28.714 1.00 0.00 C ATOM 623 CZ TYR A 60 -4.541 -12.399 30.047 1.00 0.00 C ATOM 624 OH TYR A 60 -5.832 -12.014 30.348 1.00 0.00 O ATOM 0 H TYR A 60 -1.447 -14.987 30.907 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.963 -15.499 28.208 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.179 -13.201 29.859 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.209 -13.184 28.150 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.663 -13.397 31.563 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.481 -12.868 27.380 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.983 -12.708 32.105 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.800 -12.178 27.921 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.314 -11.808 29.520 1.00 0.00 H new ATOM 634 N ALA A 61 1.665 -15.765 30.133 1.00 0.00 N ATOM 635 CA ALA A 61 3.063 -16.178 30.166 1.00 0.00 C ATOM 636 C ALA A 61 3.217 -17.596 29.623 1.00 0.00 C ATOM 637 O ALA A 61 4.305 -18.000 29.213 1.00 0.00 O ATOM 638 CB ALA A 61 3.594 -16.117 31.599 1.00 0.00 C ATOM 0 H ALA A 61 1.231 -15.661 31.050 1.00 0.00 H new ATOM 0 HA ALA A 61 3.637 -15.497 29.538 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.639 -16.427 31.613 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.513 -15.097 31.974 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.009 -16.784 32.233 1.00 0.00 H new ATOM 644 N LYS A 62 2.122 -18.349 29.629 1.00 0.00 N ATOM 645 CA LYS A 62 2.146 -19.721 29.137 1.00 0.00 C ATOM 646 C LYS A 62 1.784 -19.764 27.656 1.00 0.00 C ATOM 647 O LYS A 62 2.315 -20.578 26.899 1.00 0.00 O ATOM 648 CB LYS A 62 1.163 -20.580 29.932 1.00 0.00 C ATOM 649 CG LYS A 62 1.612 -22.042 29.892 1.00 0.00 C ATOM 650 CD LYS A 62 0.703 -22.884 30.790 1.00 0.00 C ATOM 651 CE LYS A 62 1.087 -22.670 32.255 1.00 0.00 C ATOM 652 NZ LYS A 62 0.453 -23.725 33.093 1.00 0.00 N ATOM 0 H LYS A 62 1.212 -18.035 29.967 1.00 0.00 H new ATOM 0 HA LYS A 62 3.154 -20.115 29.264 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.112 -20.232 30.964 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.161 -20.485 29.514 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.576 -22.416 28.869 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.646 -22.124 30.225 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.339 -22.606 30.633 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.794 -23.939 30.530 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.171 -22.704 32.367 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.763 -21.683 32.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.714 -23.580 34.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.581 -23.672 32.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.783 -24.661 32.781 1.00 0.00 H new ATOM 666 N ILE A 63 0.869 -18.889 27.250 1.00 0.00 N ATOM 667 CA ILE A 63 0.438 -18.845 25.857 1.00 0.00 C ATOM 668 C ILE A 63 1.606 -18.484 24.945 1.00 0.00 C ATOM 669 O ILE A 63 1.836 -19.137 23.928 1.00 0.00 O ATOM 670 CB ILE A 63 -0.673 -17.804 25.691 1.00 0.00 C ATOM 671 CG1 ILE A 63 -1.897 -18.235 26.506 1.00 0.00 C ATOM 672 CG2 ILE A 63 -1.058 -17.698 24.213 1.00 0.00 C ATOM 673 CD1 ILE A 63 -2.370 -19.615 26.041 1.00 0.00 C ATOM 0 H ILE A 63 0.416 -18.207 27.859 1.00 0.00 H new ATOM 0 HA ILE A 63 0.064 -19.831 25.580 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.320 -16.835 26.044 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.647 -18.264 27.567 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.699 -17.507 26.388 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.849 -16.957 24.095 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.187 -17.395 23.631 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.412 -18.666 23.859 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.240 -19.917 26.624 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.637 -19.571 24.985 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.569 -20.341 26.183 1.00 0.00 H new ATOM 685 N ALA A 64 2.346 -17.446 25.320 1.00 0.00 N ATOM 686 CA ALA A 64 3.492 -17.013 24.529 1.00 0.00 C ATOM 687 C ALA A 64 4.593 -18.069 24.556 1.00 0.00 C ATOM 688 O ALA A 64 5.513 -18.038 23.739 1.00 0.00 O ATOM 689 CB ALA A 64 4.032 -15.689 25.075 1.00 0.00 C ATOM 0 H ALA A 64 2.175 -16.893 26.160 1.00 0.00 H new ATOM 0 HA ALA A 64 3.168 -16.874 23.498 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.888 -15.372 24.479 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.252 -14.929 25.023 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.341 -15.822 26.112 1.00 0.00 H new ATOM 695 N ARG A 65 4.497 -18.991 25.506 1.00 0.00 N ATOM 696 CA ARG A 65 5.492 -20.047 25.634 1.00 0.00 C ATOM 697 C ARG A 65 5.189 -21.189 24.667 1.00 0.00 C ATOM 698 O ARG A 65 6.079 -21.690 23.984 1.00 0.00 O ATOM 699 CB ARG A 65 5.511 -20.579 27.067 1.00 0.00 C ATOM 700 CG ARG A 65 6.618 -21.625 27.210 1.00 0.00 C ATOM 701 CD ARG A 65 6.624 -22.170 28.639 1.00 0.00 C ATOM 702 NE ARG A 65 7.029 -21.128 29.576 1.00 0.00 N ATOM 703 CZ ARG A 65 7.087 -21.363 30.883 1.00 0.00 C ATOM 704 NH1 ARG A 65 7.452 -20.414 31.701 1.00 0.00 N ATOM 705 NH2 ARG A 65 6.779 -22.543 31.347 1.00 0.00 N ATOM 0 H ARG A 65 3.745 -19.029 26.195 1.00 0.00 H new ATOM 0 HA ARG A 65 6.469 -19.630 25.391 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.677 -19.761 27.768 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.546 -21.020 27.315 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.459 -22.437 26.500 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.585 -21.181 26.975 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.631 -22.537 28.900 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.306 -23.017 28.710 1.00 0.00 H new ATOM 0 HE ARG A 65 7.272 -20.203 29.222 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.693 -19.492 31.337 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.496 -20.594 32.704 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.494 -23.284 30.707 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.823 -22.724 32.350 1.00 0.00 H new ATOM 719 N ILE A 66 3.924 -21.595 24.619 1.00 0.00 N ATOM 720 CA ILE A 66 3.511 -22.678 23.735 1.00 0.00 C ATOM 721 C ILE A 66 3.264 -22.153 22.325 1.00 0.00 C ATOM 722 O ILE A 66 3.249 -22.915 21.364 1.00 0.00 O ATOM 723 CB ILE A 66 2.239 -23.336 24.271 1.00 0.00 C ATOM 724 CG1 ILE A 66 2.545 -24.021 25.605 1.00 0.00 C ATOM 725 CG2 ILE A 66 1.741 -24.376 23.267 1.00 0.00 C ATOM 726 CD1 ILE A 66 1.235 -24.446 26.272 1.00 0.00 C ATOM 0 H ILE A 66 3.172 -21.193 25.178 1.00 0.00 H new ATOM 0 HA ILE A 66 4.311 -23.418 23.699 1.00 0.00 H new ATOM 0 HB ILE A 66 1.471 -22.577 24.419 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.181 -24.891 25.442 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.094 -23.342 26.257 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.834 -24.845 23.649 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.525 -23.889 22.316 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.508 -25.136 23.120 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.452 -24.934 27.222 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.615 -23.567 26.449 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.704 -25.140 25.621 1.00 0.00 H new ATOM 738 N GLY A 67 3.065 -20.845 22.212 1.00 0.00 N ATOM 739 CA GLY A 67 2.814 -20.229 20.914 1.00 0.00 C ATOM 740 C GLY A 67 4.108 -20.079 20.125 1.00 0.00 C ATOM 741 O GLY A 67 4.094 -19.862 18.918 1.00 0.00 O ATOM 0 H GLY A 67 3.072 -20.194 22.997 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.107 -20.837 20.349 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.353 -19.251 21.054 1.00 0.00 H new ATOM 745 N TYR A 68 5.236 -20.193 20.817 1.00 0.00 N ATOM 746 CA TYR A 68 6.538 -20.070 20.170 1.00 0.00 C ATOM 747 C TYR A 68 7.283 -21.397 20.209 1.00 0.00 C ATOM 748 O TYR A 68 8.350 -21.538 19.608 1.00 0.00 O ATOM 749 CB TYR A 68 7.368 -18.993 20.870 1.00 0.00 C ATOM 750 CG TYR A 68 8.810 -19.098 20.429 1.00 0.00 C ATOM 751 CD1 TYR A 68 9.198 -18.616 19.173 1.00 0.00 C ATOM 752 CD2 TYR A 68 9.758 -19.683 21.277 1.00 0.00 C ATOM 753 CE1 TYR A 68 10.533 -18.718 18.765 1.00 0.00 C ATOM 754 CE2 TYR A 68 11.094 -19.785 20.870 1.00 0.00 C ATOM 755 CZ TYR A 68 11.481 -19.302 19.614 1.00 0.00 C ATOM 756 OH TYR A 68 12.796 -19.405 19.211 1.00 0.00 O ATOM 0 H TYR A 68 5.276 -20.369 21.821 1.00 0.00 H new ATOM 0 HA TYR A 68 6.381 -19.787 19.129 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.975 -18.005 20.631 1.00 0.00 H new ATOM 0 HB3 TYR A 68 7.298 -19.111 21.951 1.00 0.00 H new ATOM 0 HD1 TYR A 68 8.467 -18.165 18.519 1.00 0.00 H new ATOM 0 HD2 TYR A 68 9.459 -20.056 22.245 1.00 0.00 H new ATOM 0 HE1 TYR A 68 10.832 -18.346 17.796 1.00 0.00 H new ATOM 0 HE2 TYR A 68 11.825 -20.236 21.524 1.00 0.00 H new ATOM 0 HH TYR A 68 13.322 -19.833 19.918 1.00 0.00 H new ATOM 766 N GLU A 69 6.722 -22.366 20.921 1.00 0.00 N ATOM 767 CA GLU A 69 7.346 -23.680 21.034 1.00 0.00 C ATOM 768 C GLU A 69 6.542 -24.722 20.265 1.00 0.00 C ATOM 769 O GLU A 69 6.860 -25.911 20.295 1.00 0.00 O ATOM 770 CB GLU A 69 7.442 -24.089 22.505 1.00 0.00 C ATOM 771 CG GLU A 69 8.442 -23.181 23.223 1.00 0.00 C ATOM 772 CD GLU A 69 8.481 -23.521 24.709 1.00 0.00 C ATOM 773 OE1 GLU A 69 7.769 -24.428 25.108 1.00 0.00 O ATOM 774 OE2 GLU A 69 9.222 -22.870 25.427 1.00 0.00 O ATOM 0 H GLU A 69 5.841 -22.269 21.426 1.00 0.00 H new ATOM 0 HA GLU A 69 8.348 -23.624 20.608 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.463 -24.016 22.978 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.757 -25.129 22.584 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.434 -23.302 22.788 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.160 -22.137 23.088 1.00 0.00 H new ATOM 781 N ASP A 70 5.499 -24.269 19.577 1.00 0.00 N ATOM 782 CA ASP A 70 4.655 -25.172 18.803 1.00 0.00 C ATOM 783 C ASP A 70 4.190 -24.499 17.515 1.00 0.00 C ATOM 784 O ASP A 70 4.244 -25.093 16.438 1.00 0.00 O ATOM 785 CB ASP A 70 3.439 -25.591 19.632 1.00 0.00 C ATOM 786 CG ASP A 70 3.860 -26.576 20.717 1.00 0.00 C ATOM 787 OD1 ASP A 70 4.945 -27.124 20.604 1.00 0.00 O ATOM 788 OD2 ASP A 70 3.093 -26.769 21.646 1.00 0.00 O ATOM 0 H ASP A 70 5.219 -23.289 19.539 1.00 0.00 H new ATOM 0 HA ASP A 70 5.240 -26.055 18.547 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.978 -24.713 20.085 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.689 -26.048 18.987 1.00 0.00 H new ATOM 793 N GLU A 71 3.729 -23.255 17.637 1.00 0.00 N ATOM 794 CA GLU A 71 3.252 -22.509 16.476 1.00 0.00 C ATOM 795 C GLU A 71 4.418 -21.831 15.766 1.00 0.00 C ATOM 796 O GLU A 71 4.331 -21.498 14.584 1.00 0.00 O ATOM 797 CB GLU A 71 2.227 -21.466 16.909 1.00 0.00 C ATOM 798 CG GLU A 71 1.054 -22.158 17.604 1.00 0.00 C ATOM 799 CD GLU A 71 0.362 -23.118 16.642 1.00 0.00 C ATOM 800 OE1 GLU A 71 0.551 -22.961 15.447 1.00 0.00 O ATOM 801 OE2 GLU A 71 -0.347 -23.993 17.112 1.00 0.00 O ATOM 0 H GLU A 71 3.676 -22.747 18.520 1.00 0.00 H new ATOM 0 HA GLU A 71 2.779 -23.206 15.784 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.689 -20.746 17.584 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.872 -20.909 16.042 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.410 -22.702 18.479 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.342 -21.413 17.960 1.00 0.00 H new ATOM 808 N GLY A 72 5.512 -21.632 16.497 1.00 0.00 N ATOM 809 CA GLY A 72 6.697 -21.013 15.926 1.00 0.00 C ATOM 810 C GLY A 72 6.772 -19.529 16.248 1.00 0.00 C ATOM 811 O GLY A 72 7.817 -19.030 16.645 1.00 0.00 O ATOM 0 H GLY A 72 5.599 -21.890 17.480 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.587 -21.513 16.308 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.693 -21.150 14.845 1.00 0.00 H new ATOM 893 N GLU A 78 5.480 -11.695 27.793 1.00 0.00 N ATOM 894 CA GLU A 78 4.400 -11.528 28.762 1.00 0.00 C ATOM 895 C GLU A 78 3.539 -10.328 28.385 1.00 0.00 C ATOM 896 O GLU A 78 2.391 -10.480 27.966 1.00 0.00 O ATOM 897 CB GLU A 78 4.984 -11.332 30.161 1.00 0.00 C ATOM 898 CG GLU A 78 3.846 -11.240 31.178 1.00 0.00 C ATOM 899 CD GLU A 78 4.415 -11.065 32.582 1.00 0.00 C ATOM 900 OE1 GLU A 78 3.656 -10.706 33.466 1.00 0.00 O ATOM 901 OE2 GLU A 78 5.602 -11.291 32.751 1.00 0.00 O ATOM 0 HA GLU A 78 3.778 -12.423 28.757 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.644 -12.163 30.411 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.588 -10.425 30.191 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.195 -10.401 30.933 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.234 -12.141 31.134 1.00 0.00 H new ATOM 908 N SER A 79 4.109 -9.136 28.526 1.00 0.00 N ATOM 909 CA SER A 79 3.396 -7.908 28.188 1.00 0.00 C ATOM 910 C SER A 79 2.829 -7.996 26.775 1.00 0.00 C ATOM 911 O SER A 79 1.639 -7.767 26.560 1.00 0.00 O ATOM 912 CB SER A 79 4.356 -6.718 28.272 1.00 0.00 C ATOM 913 OG SER A 79 3.649 -5.521 27.974 1.00 0.00 O ATOM 0 H SER A 79 5.058 -8.993 28.870 1.00 0.00 H new ATOM 0 HA SER A 79 2.576 -7.774 28.894 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.792 -6.658 29.269 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.180 -6.851 27.571 1.00 0.00 H new ATOM 0 HG SER A 79 4.261 -4.757 28.028 1.00 0.00 H new ATOM 919 N ALA A 80 3.684 -8.338 25.815 1.00 0.00 N ATOM 920 CA ALA A 80 3.250 -8.458 24.427 1.00 0.00 C ATOM 921 C ALA A 80 2.107 -9.462 24.310 1.00 0.00 C ATOM 922 O ALA A 80 1.274 -9.365 23.416 1.00 0.00 O ATOM 923 CB ALA A 80 4.422 -8.905 23.551 1.00 0.00 C ATOM 0 H ALA A 80 4.673 -8.535 25.971 1.00 0.00 H new ATOM 0 HA ALA A 80 2.897 -7.484 24.088 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.090 -8.992 22.516 1.00 0.00 H new ATOM 0 HB2 ALA A 80 5.224 -8.170 23.614 1.00 0.00 H new ATOM 0 HB3 ALA A 80 4.787 -9.872 23.898 1.00 0.00 H new ATOM 929 N CYS A 81 2.074 -10.425 25.222 1.00 0.00 N ATOM 930 CA CYS A 81 1.029 -11.443 25.209 1.00 0.00 C ATOM 931 C CYS A 81 -0.303 -10.846 25.650 1.00 0.00 C ATOM 932 O CYS A 81 -1.349 -11.484 25.539 1.00 0.00 O ATOM 933 CB CYS A 81 1.410 -12.590 26.141 1.00 0.00 C ATOM 934 SG CYS A 81 3.160 -12.971 25.935 1.00 0.00 S ATOM 0 H CYS A 81 2.754 -10.523 25.976 1.00 0.00 H new ATOM 0 HA CYS A 81 0.926 -11.821 24.192 1.00 0.00 H new ATOM 0 HB2 CYS A 81 1.205 -12.316 27.176 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.806 -13.470 25.919 1.00 0.00 H new ATOM 0 HG CYS A 81 3.538 -13.793 26.869 1.00 0.00 H new ATOM 940 N ARG A 82 -0.258 -9.616 26.156 1.00 0.00 N ATOM 941 CA ARG A 82 -1.470 -8.943 26.613 1.00 0.00 C ATOM 942 C ARG A 82 -1.885 -7.861 25.625 1.00 0.00 C ATOM 943 O ARG A 82 -3.047 -7.481 25.576 1.00 0.00 O ATOM 944 CB ARG A 82 -1.229 -8.316 27.988 1.00 0.00 C ATOM 945 CG ARG A 82 -0.983 -9.421 29.019 1.00 0.00 C ATOM 946 CD ARG A 82 -2.312 -9.832 29.657 1.00 0.00 C ATOM 947 NE ARG A 82 -2.894 -8.702 30.375 1.00 0.00 N ATOM 948 CZ ARG A 82 -2.495 -8.391 31.604 1.00 0.00 C ATOM 949 NH1 ARG A 82 -3.032 -7.377 32.227 1.00 0.00 N ATOM 950 NH2 ARG A 82 -1.567 -9.099 32.188 1.00 0.00 N ATOM 0 H ARG A 82 0.597 -9.069 26.259 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.270 -9.680 26.684 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.371 -7.645 27.948 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.090 -7.716 28.281 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.516 -10.282 28.540 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -0.293 -9.070 29.786 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -3.002 -10.178 28.888 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -2.153 -10.665 30.342 1.00 0.00 H new ATOM 0 HE ARG A 82 -3.619 -8.142 29.926 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -3.757 -6.824 31.770 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -2.726 -7.138 33.170 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -1.148 -9.891 31.701 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -1.261 -8.860 33.131 1.00 0.00 H new ATOM 964 N ASN A 83 -0.924 -7.373 24.847 1.00 0.00 N ATOM 965 CA ASN A 83 -1.201 -6.334 23.861 1.00 0.00 C ATOM 966 C ASN A 83 -1.685 -6.951 22.553 1.00 0.00 C ATOM 967 O ASN A 83 -2.668 -6.499 21.966 1.00 0.00 O ATOM 968 CB ASN A 83 0.057 -5.507 23.606 1.00 0.00 C ATOM 969 CG ASN A 83 0.464 -4.773 24.881 1.00 0.00 C ATOM 970 OD1 ASN A 83 -0.393 -4.323 25.641 1.00 0.00 O ATOM 971 ND2 ASN A 83 1.730 -4.624 25.159 1.00 0.00 N ATOM 0 H ASN A 83 0.049 -7.678 24.879 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.985 -5.687 24.254 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.868 -6.156 23.275 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.125 -4.790 22.806 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.011 -4.134 26.008 1.00 0.00 H new ATOM 0 HD22 ASN A 83 2.438 -4.998 24.527 1.00 0.00 H new ATOM 978 N GLN A 84 -0.987 -7.988 22.102 1.00 0.00 N ATOM 979 CA GLN A 84 -1.357 -8.660 20.859 1.00 0.00 C ATOM 980 C GLN A 84 -2.782 -9.178 20.926 1.00 0.00 C ATOM 981 O GLN A 84 -3.638 -8.762 20.145 1.00 0.00 O ATOM 982 CB GLN A 84 -0.396 -9.823 20.593 1.00 0.00 C ATOM 983 CG GLN A 84 1.017 -9.286 20.346 1.00 0.00 C ATOM 984 CD GLN A 84 0.953 -7.910 19.706 1.00 0.00 C ATOM 985 OE1 GLN A 84 0.503 -7.775 18.568 1.00 0.00 O ATOM 986 NE2 GLN A 84 1.369 -6.869 20.374 1.00 0.00 N ATOM 0 H GLN A 84 -0.170 -8.379 22.572 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.291 -7.938 20.045 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -0.392 -10.504 21.444 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.733 -10.395 19.728 1.00 0.00 H new ATOM 0 HG2 GLN A 84 1.563 -9.231 21.288 1.00 0.00 H new ATOM 0 HG3 GLN A 84 1.566 -9.970 19.699 1.00 0.00 H new ATOM 0 HE21 GLN A 84 1.741 -6.983 21.317 1.00 0.00 H new ATOM 0 HE22 GLN A 84 1.322 -5.941 19.953 1.00 0.00 H new ATOM 995 N ILE A 85 -3.034 -10.079 21.864 1.00 0.00 N ATOM 996 CA ILE A 85 -4.367 -10.648 22.029 1.00 0.00 C ATOM 997 C ILE A 85 -5.402 -9.546 22.218 1.00 0.00 C ATOM 998 O ILE A 85 -6.508 -9.621 21.681 1.00 0.00 O ATOM 999 CB ILE A 85 -4.393 -11.584 23.235 1.00 0.00 C ATOM 1000 CG1 ILE A 85 -3.558 -12.831 22.933 1.00 0.00 C ATOM 1001 CG2 ILE A 85 -5.835 -11.997 23.531 1.00 0.00 C ATOM 1002 CD1 ILE A 85 -3.384 -13.652 24.212 1.00 0.00 C ATOM 0 H ILE A 85 -2.338 -10.432 22.521 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.612 -11.211 21.128 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.977 -11.069 24.101 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.047 -13.432 22.166 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.584 -12.542 22.538 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.853 -12.665 24.392 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.430 -11.110 23.748 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.252 -12.511 22.665 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.789 -14.540 23.996 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.876 -13.049 24.965 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.362 -13.953 24.587 1.00 0.00 H new ATOM 1014 N ILE A 86 -5.032 -8.518 22.973 1.00 0.00 N ATOM 1015 CA ILE A 86 -5.934 -7.399 23.208 1.00 0.00 C ATOM 1016 C ILE A 86 -6.269 -6.687 21.901 1.00 0.00 C ATOM 1017 O ILE A 86 -7.417 -6.345 21.651 1.00 0.00 O ATOM 1018 CB ILE A 86 -5.303 -6.405 24.195 1.00 0.00 C ATOM 1019 CG1 ILE A 86 -5.759 -6.733 25.623 1.00 0.00 C ATOM 1020 CG2 ILE A 86 -5.705 -4.975 23.833 1.00 0.00 C ATOM 1021 CD1 ILE A 86 -5.322 -5.607 26.569 1.00 0.00 C ATOM 0 H ILE A 86 -4.123 -8.437 23.428 1.00 0.00 H new ATOM 0 HA ILE A 86 -6.856 -7.792 23.636 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.218 -6.488 24.138 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.842 -6.848 25.653 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -5.329 -7.681 25.945 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.252 -4.280 24.540 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.360 -4.744 22.825 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.790 -4.880 23.876 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.645 -5.838 27.584 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.236 -5.514 26.546 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.774 -4.668 26.250 1.00 0.00 H new ATOM 1033 N SER A 87 -5.252 -6.442 21.092 1.00 0.00 N ATOM 1034 CA SER A 87 -5.451 -5.747 19.826 1.00 0.00 C ATOM 1035 C SER A 87 -6.446 -6.508 18.957 1.00 0.00 C ATOM 1036 O SER A 87 -7.348 -5.914 18.366 1.00 0.00 O ATOM 1037 CB SER A 87 -4.118 -5.627 19.086 1.00 0.00 C ATOM 1038 OG SER A 87 -4.322 -4.933 17.862 1.00 0.00 O ATOM 0 H SER A 87 -4.287 -6.710 21.284 1.00 0.00 H new ATOM 0 HA SER A 87 -5.845 -4.752 20.032 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.393 -5.095 19.702 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.706 -6.617 18.892 1.00 0.00 H new ATOM 0 HG SER A 87 -3.469 -4.853 17.385 1.00 0.00 H new ATOM 1044 N ILE A 88 -6.281 -7.825 18.887 1.00 0.00 N ATOM 1045 CA ILE A 88 -7.175 -8.654 18.087 1.00 0.00 C ATOM 1046 C ILE A 88 -8.624 -8.444 18.513 1.00 0.00 C ATOM 1047 O ILE A 88 -9.544 -8.577 17.703 1.00 0.00 O ATOM 1048 CB ILE A 88 -6.802 -10.129 18.252 1.00 0.00 C ATOM 1049 CG1 ILE A 88 -5.410 -10.370 17.663 1.00 0.00 C ATOM 1050 CG2 ILE A 88 -7.824 -11.000 17.517 1.00 0.00 C ATOM 1051 CD1 ILE A 88 -4.902 -11.747 18.096 1.00 0.00 C ATOM 0 H ILE A 88 -5.543 -8.338 19.370 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.071 -8.366 17.041 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.800 -10.387 19.311 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.449 -10.311 16.575 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.722 -9.595 18.000 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -7.558 -12.051 17.635 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.816 -10.828 17.934 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -7.826 -10.743 16.458 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.911 -11.918 17.676 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -4.847 -11.789 19.184 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.586 -12.516 17.737 1.00 0.00 H new ATOM 1063 N MET A 89 -8.822 -8.120 19.787 1.00 0.00 N ATOM 1064 CA MET A 89 -10.169 -7.898 20.305 1.00 0.00 C ATOM 1065 C MET A 89 -10.774 -6.630 19.708 1.00 0.00 C ATOM 1066 O MET A 89 -11.873 -6.657 19.155 1.00 0.00 O ATOM 1067 CB MET A 89 -10.122 -7.768 21.829 1.00 0.00 C ATOM 1068 CG MET A 89 -9.891 -9.145 22.453 1.00 0.00 C ATOM 1069 SD MET A 89 -11.317 -10.209 22.118 1.00 0.00 S ATOM 1070 CE MET A 89 -12.472 -9.400 23.253 1.00 0.00 C ATOM 0 H MET A 89 -8.076 -8.006 20.474 1.00 0.00 H new ATOM 0 HA MET A 89 -10.790 -8.749 20.026 1.00 0.00 H new ATOM 0 HB2 MET A 89 -9.324 -7.086 22.122 1.00 0.00 H new ATOM 0 HB3 MET A 89 -11.056 -7.342 22.197 1.00 0.00 H new ATOM 0 HG2 MET A 89 -8.986 -9.594 22.044 1.00 0.00 H new ATOM 0 HG3 MET A 89 -9.741 -9.048 23.528 1.00 0.00 H new ATOM 0 HE1 MET A 89 -13.234 -10.114 23.567 1.00 0.00 H new ATOM 0 HE2 MET A 89 -11.930 -9.040 24.128 1.00 0.00 H new ATOM 0 HE3 MET A 89 -12.948 -8.559 22.749 1.00 0.00 H new ATOM 1080 N ARG A 90 -10.044 -5.524 19.813 1.00 0.00 N ATOM 1081 CA ARG A 90 -10.522 -4.254 19.279 1.00 0.00 C ATOM 1082 C ARG A 90 -11.020 -4.426 17.849 1.00 0.00 C ATOM 1083 O ARG A 90 -12.053 -3.877 17.474 1.00 0.00 O ATOM 1084 CB ARG A 90 -9.391 -3.221 19.305 1.00 0.00 C ATOM 1085 CG ARG A 90 -9.920 -1.871 18.817 1.00 0.00 C ATOM 1086 CD ARG A 90 -8.832 -0.809 18.975 1.00 0.00 C ATOM 1087 NE ARG A 90 -7.677 -1.140 18.149 1.00 0.00 N ATOM 1088 CZ ARG A 90 -7.598 -0.740 16.885 1.00 0.00 C ATOM 1089 NH1 ARG A 90 -6.553 -1.050 16.166 1.00 0.00 N ATOM 1090 NH2 ARG A 90 -8.564 -0.037 16.361 1.00 0.00 N ATOM 0 H ARG A 90 -9.128 -5.481 20.259 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.349 -3.908 19.900 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.996 -3.124 20.316 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.568 -3.551 18.671 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.223 -1.943 17.773 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.805 -1.588 19.387 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.224 0.167 18.690 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.532 -0.739 20.021 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.916 -1.689 18.549 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.797 -1.599 16.575 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.492 -0.743 15.195 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.380 0.206 16.922 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.503 0.270 15.390 1.00 0.00 H new ATOM 1104 N VAL A 91 -10.282 -5.195 17.059 1.00 0.00 N ATOM 1105 CA VAL A 91 -10.660 -5.443 15.673 1.00 0.00 C ATOM 1106 C VAL A 91 -11.920 -6.302 15.603 1.00 0.00 C ATOM 1107 O VAL A 91 -12.790 -6.082 14.761 1.00 0.00 O ATOM 1108 CB VAL A 91 -9.519 -6.135 14.931 1.00 0.00 C ATOM 1109 CG1 VAL A 91 -9.989 -6.538 13.532 1.00 0.00 C ATOM 1110 CG2 VAL A 91 -8.335 -5.173 14.812 1.00 0.00 C ATOM 0 H VAL A 91 -9.421 -5.657 17.352 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.865 -4.484 15.198 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.214 -7.025 15.481 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -9.174 -7.032 13.003 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.835 -7.221 13.615 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.294 -5.649 12.980 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.519 -5.664 14.283 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.642 -4.284 14.261 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.000 -4.884 15.808 1.00 0.00 H new ATOM 1120 N TYR A 92 -12.004 -7.290 16.488 1.00 0.00 N ATOM 1121 CA TYR A 92 -13.154 -8.183 16.519 1.00 0.00 C ATOM 1122 C TYR A 92 -14.423 -7.408 16.857 1.00 0.00 C ATOM 1123 O TYR A 92 -15.472 -7.645 16.274 1.00 0.00 O ATOM 1124 CB TYR A 92 -12.935 -9.288 17.554 1.00 0.00 C ATOM 1125 CG TYR A 92 -14.189 -10.121 17.675 1.00 0.00 C ATOM 1126 CD1 TYR A 92 -14.520 -11.040 16.673 1.00 0.00 C ATOM 1127 CD2 TYR A 92 -15.020 -9.973 18.792 1.00 0.00 C ATOM 1128 CE1 TYR A 92 -15.683 -11.811 16.787 1.00 0.00 C ATOM 1129 CE2 TYR A 92 -16.183 -10.744 18.906 1.00 0.00 C ATOM 1130 CZ TYR A 92 -16.514 -11.663 17.904 1.00 0.00 C ATOM 1131 OH TYR A 92 -17.660 -12.424 18.016 1.00 0.00 O ATOM 0 H TYR A 92 -11.292 -7.491 17.190 1.00 0.00 H new ATOM 0 HA TYR A 92 -13.267 -8.632 15.532 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -12.095 -9.917 17.258 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -12.681 -8.851 18.520 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -13.878 -11.154 15.812 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -14.764 -9.264 19.566 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -15.939 -12.520 16.013 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -16.825 -10.630 19.767 1.00 0.00 H new ATOM 0 HH TYR A 92 -18.122 -12.199 18.851 1.00 0.00 H new ATOM 1141 N GLU A 93 -14.313 -6.485 17.806 1.00 0.00 N ATOM 1142 CA GLU A 93 -15.457 -5.680 18.217 1.00 0.00 C ATOM 1143 C GLU A 93 -15.794 -4.641 17.152 1.00 0.00 C ATOM 1144 O GLU A 93 -16.963 -4.337 16.914 1.00 0.00 O ATOM 1145 CB GLU A 93 -15.155 -4.981 19.541 1.00 0.00 C ATOM 1146 CG GLU A 93 -15.019 -6.021 20.655 1.00 0.00 C ATOM 1147 CD GLU A 93 -16.366 -6.688 20.917 1.00 0.00 C ATOM 1148 OE1 GLU A 93 -17.351 -6.222 20.367 1.00 0.00 O ATOM 1149 OE2 GLU A 93 -16.394 -7.650 21.667 1.00 0.00 O ATOM 0 H GLU A 93 -13.447 -6.276 18.303 1.00 0.00 H new ATOM 0 HA GLU A 93 -16.315 -6.341 18.344 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -14.235 -4.403 19.456 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -15.952 -4.278 19.782 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.281 -6.772 20.374 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.657 -5.544 21.566 1.00 0.00 H new ATOM 1156 N GLN A 94 -14.760 -4.098 16.516 1.00 0.00 N ATOM 1157 CA GLN A 94 -14.959 -3.093 15.478 1.00 0.00 C ATOM 1158 C GLN A 94 -15.684 -3.691 14.278 1.00 0.00 C ATOM 1159 O GLN A 94 -16.715 -3.178 13.846 1.00 0.00 O ATOM 1160 CB GLN A 94 -13.609 -2.528 15.031 1.00 0.00 C ATOM 1161 CG GLN A 94 -13.141 -1.467 16.029 1.00 0.00 C ATOM 1162 CD GLN A 94 -11.774 -0.931 15.616 1.00 0.00 C ATOM 1163 OE1 GLN A 94 -11.194 -0.018 16.347 1.00 0.00 O flip ATOM 1164 NE2 GLN A 94 -11.221 -1.353 14.601 1.00 0.00 N flip ATOM 0 H GLN A 94 -13.785 -4.334 16.699 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.570 -2.291 15.892 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -12.872 -3.329 14.964 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -13.697 -2.092 14.036 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -13.863 -0.652 16.071 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -13.086 -1.896 17.030 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -11.676 -2.066 14.031 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -10.308 -0.989 14.329 1.00 0.00 H new ATOM 1173 N ARG A 95 -15.139 -4.780 13.748 1.00 0.00 N ATOM 1174 CA ARG A 95 -15.743 -5.443 12.598 1.00 0.00 C ATOM 1175 C ARG A 95 -17.047 -6.127 12.996 1.00 0.00 C ATOM 1176 O ARG A 95 -17.807 -6.584 12.144 1.00 0.00 O ATOM 1177 CB ARG A 95 -14.774 -6.476 12.020 1.00 0.00 C ATOM 1178 CG ARG A 95 -15.370 -7.081 10.748 1.00 0.00 C ATOM 1179 CD ARG A 95 -14.325 -7.962 10.063 1.00 0.00 C ATOM 1180 NE ARG A 95 -14.898 -8.602 8.885 1.00 0.00 N ATOM 1181 CZ ARG A 95 -14.892 -7.996 7.702 1.00 0.00 C ATOM 1182 NH1 ARG A 95 -15.411 -8.590 6.662 1.00 0.00 N ATOM 1183 NH2 ARG A 95 -14.367 -6.808 7.580 1.00 0.00 N ATOM 0 H ARG A 95 -14.286 -5.220 14.093 1.00 0.00 H new ATOM 0 HA ARG A 95 -15.960 -4.689 11.841 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -13.816 -6.006 11.797 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -14.582 -7.260 12.753 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -16.254 -7.670 10.993 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -15.692 -6.289 10.072 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -13.463 -7.360 9.775 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -13.966 -8.720 10.759 1.00 0.00 H new ATOM 0 HE ARG A 95 -15.311 -9.531 8.970 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -15.821 -9.519 6.757 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -15.406 -8.125 5.754 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -13.961 -6.344 8.393 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -14.363 -6.343 6.672 1.00 0.00 H new ATOM 1197 N LEU A 96 -17.300 -6.192 14.298 1.00 0.00 N ATOM 1198 CA LEU A 96 -18.517 -6.816 14.803 1.00 0.00 C ATOM 1199 C LEU A 96 -19.696 -5.854 14.709 1.00 0.00 C ATOM 1200 O LEU A 96 -20.829 -6.267 14.460 1.00 0.00 O ATOM 1201 CB LEU A 96 -18.321 -7.256 16.253 1.00 0.00 C ATOM 1202 CG LEU A 96 -19.638 -7.792 16.809 1.00 0.00 C ATOM 1203 CD1 LEU A 96 -20.151 -8.922 15.916 1.00 0.00 C ATOM 1204 CD2 LEU A 96 -19.412 -8.326 18.226 1.00 0.00 C ATOM 0 H LEU A 96 -16.682 -5.822 15.020 1.00 0.00 H new ATOM 0 HA LEU A 96 -18.732 -7.691 14.189 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -17.551 -8.026 16.309 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -17.976 -6.415 16.855 1.00 0.00 H new ATOM 0 HG LEU A 96 -20.374 -6.988 16.834 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -21.091 -9.303 16.315 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -20.312 -8.543 14.907 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -19.416 -9.726 15.889 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -20.351 -8.709 18.625 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -18.675 -9.129 18.199 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -19.048 -7.521 18.865 1.00 0.00 H new ATOM 1216 N ALA A 97 -19.423 -4.573 14.924 1.00 0.00 N ATOM 1217 CA ALA A 97 -20.471 -3.560 14.872 1.00 0.00 C ATOM 1218 C ALA A 97 -20.724 -3.128 13.432 1.00 0.00 C ATOM 1219 O ALA A 97 -21.831 -2.719 13.082 1.00 0.00 O ATOM 1220 CB ALA A 97 -20.064 -2.344 15.707 1.00 0.00 C ATOM 0 H ALA A 97 -18.492 -4.212 15.135 1.00 0.00 H new ATOM 0 HA ALA A 97 -21.387 -3.989 15.278 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -20.852 -1.592 15.663 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -19.910 -2.648 16.742 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -19.139 -1.924 15.311 1.00 0.00 H new ATOM 1226 N HIS A 98 -19.691 -3.223 12.600 1.00 0.00 N ATOM 1227 CA HIS A 98 -19.814 -2.839 11.199 1.00 0.00 C ATOM 1228 C HIS A 98 -20.990 -3.558 10.547 1.00 0.00 C ATOM 1229 O HIS A 98 -22.052 -2.970 10.339 1.00 0.00 O ATOM 1230 CB HIS A 98 -18.525 -3.181 10.449 1.00 0.00 C ATOM 1231 CG HIS A 98 -17.389 -2.368 11.007 1.00 0.00 C ATOM 1232 ND1 HIS A 98 -16.069 -2.608 10.661 1.00 0.00 N ATOM 1233 CD2 HIS A 98 -17.361 -1.315 11.887 1.00 0.00 C ATOM 1234 CE1 HIS A 98 -15.308 -1.718 11.324 1.00 0.00 C ATOM 1235 NE2 HIS A 98 -16.045 -0.906 12.086 1.00 0.00 N ATOM 0 H HIS A 98 -18.767 -3.560 12.869 1.00 0.00 H new ATOM 0 HA HIS A 98 -19.988 -1.764 11.151 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -18.307 -4.245 10.546 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -18.645 -2.976 9.385 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -18.228 -0.871 12.354 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -14.232 -1.667 11.249 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -15.715 -0.149 12.685 1.00 0.00 H new ATOM 1343 N THR A 105 -17.711 -13.212 2.263 1.00 0.00 N ATOM 1344 CA THR A 105 -17.434 -14.103 3.382 1.00 0.00 C ATOM 1345 C THR A 105 -16.174 -14.922 3.119 1.00 0.00 C ATOM 1346 O THR A 105 -15.752 -15.077 1.973 1.00 0.00 O ATOM 1347 CB THR A 105 -18.620 -15.047 3.602 1.00 0.00 C ATOM 1348 OG1 THR A 105 -18.784 -15.875 2.459 1.00 0.00 O ATOM 1349 CG2 THR A 105 -19.892 -14.228 3.827 1.00 0.00 C ATOM 0 HA THR A 105 -17.279 -13.496 4.274 1.00 0.00 H new ATOM 0 HB THR A 105 -18.431 -15.669 4.477 1.00 0.00 H new ATOM 0 HG1 THR A 105 -18.544 -15.371 1.653 1.00 0.00 H new ATOM 0 HG21 THR A 105 -20.735 -14.901 3.983 1.00 0.00 H new ATOM 0 HG22 THR A 105 -19.766 -13.594 4.705 1.00 0.00 H new ATOM 0 HG23 THR A 105 -20.083 -13.605 2.953 1.00 0.00 H new ATOM 1357 N THR A 106 -15.581 -15.447 4.187 1.00 0.00 N ATOM 1358 CA THR A 106 -14.373 -16.253 4.059 1.00 0.00 C ATOM 1359 C THR A 106 -14.258 -17.234 5.226 1.00 0.00 C ATOM 1360 O THR A 106 -14.789 -16.989 6.308 1.00 0.00 O ATOM 1361 CB THR A 106 -13.138 -15.345 4.013 1.00 0.00 C ATOM 1362 OG1 THR A 106 -13.449 -14.100 4.617 1.00 0.00 O ATOM 1363 CG2 THR A 106 -12.720 -15.116 2.560 1.00 0.00 C ATOM 0 H THR A 106 -15.915 -15.330 5.144 1.00 0.00 H new ATOM 0 HA THR A 106 -14.432 -16.822 3.131 1.00 0.00 H new ATOM 0 HB THR A 106 -12.318 -15.820 4.552 1.00 0.00 H new ATOM 0 HG1 THR A 106 -12.661 -13.518 4.591 1.00 0.00 H new ATOM 0 HG21 THR A 106 -11.842 -14.470 2.531 1.00 0.00 H new ATOM 0 HG22 THR A 106 -12.482 -16.073 2.095 1.00 0.00 H new ATOM 0 HG23 THR A 106 -13.537 -14.642 2.017 1.00 0.00 H new ATOM 1371 N PRO A 107 -13.581 -18.334 5.018 1.00 0.00 N ATOM 1372 CA PRO A 107 -13.392 -19.378 6.066 1.00 0.00 C ATOM 1373 C PRO A 107 -12.402 -18.949 7.148 1.00 0.00 C ATOM 1374 O PRO A 107 -12.589 -19.247 8.327 1.00 0.00 O ATOM 1375 CB PRO A 107 -12.857 -20.581 5.285 1.00 0.00 C ATOM 1376 CG PRO A 107 -12.204 -20.010 4.070 1.00 0.00 C ATOM 1377 CD PRO A 107 -12.929 -18.704 3.752 1.00 0.00 C ATOM 0 HA PRO A 107 -14.318 -19.585 6.603 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -12.145 -21.151 5.882 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -13.663 -21.263 5.014 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -11.144 -19.830 4.249 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -12.272 -20.704 3.232 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -12.233 -17.933 3.422 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -13.658 -18.838 2.953 1.00 0.00 H new ATOM 1385 N GLU A 108 -11.350 -18.249 6.735 1.00 0.00 N ATOM 1386 CA GLU A 108 -10.340 -17.785 7.677 1.00 0.00 C ATOM 1387 C GLU A 108 -10.919 -16.726 8.608 1.00 0.00 C ATOM 1388 O GLU A 108 -10.775 -16.811 9.828 1.00 0.00 O ATOM 1389 CB GLU A 108 -9.147 -17.200 6.918 1.00 0.00 C ATOM 1390 CG GLU A 108 -8.447 -18.309 6.127 1.00 0.00 C ATOM 1391 CD GLU A 108 -9.099 -18.465 4.757 1.00 0.00 C ATOM 1392 OE1 GLU A 108 -10.098 -17.806 4.520 1.00 0.00 O ATOM 1393 OE2 GLU A 108 -8.590 -19.240 3.965 1.00 0.00 O ATOM 0 H GLU A 108 -11.176 -17.993 5.763 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.011 -18.636 8.273 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -9.483 -16.414 6.242 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -8.448 -16.741 7.617 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -7.390 -18.072 6.011 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -8.504 -19.249 6.675 1.00 0.00 H new ATOM 1400 N GLU A 109 -11.577 -15.730 8.026 1.00 0.00 N ATOM 1401 CA GLU A 109 -12.174 -14.660 8.815 1.00 0.00 C ATOM 1402 C GLU A 109 -13.264 -15.215 9.727 1.00 0.00 C ATOM 1403 O GLU A 109 -13.480 -14.718 10.830 1.00 0.00 O ATOM 1404 CB GLU A 109 -12.766 -13.593 7.887 1.00 0.00 C ATOM 1405 CG GLU A 109 -14.091 -14.092 7.307 1.00 0.00 C ATOM 1406 CD GLU A 109 -14.729 -13.002 6.462 1.00 0.00 C ATOM 1407 OE1 GLU A 109 -15.717 -13.295 5.809 1.00 0.00 O ATOM 1408 OE2 GLU A 109 -14.223 -11.892 6.474 1.00 0.00 O ATOM 0 H GLU A 109 -11.710 -15.641 7.019 1.00 0.00 H new ATOM 0 HA GLU A 109 -11.397 -14.208 9.432 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -12.925 -12.666 8.438 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -12.067 -13.369 7.081 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -13.920 -14.981 6.700 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -14.765 -14.381 8.113 1.00 0.00 H new ATOM 1415 N ASP A 110 -13.966 -16.239 9.243 1.00 0.00 N ATOM 1416 CA ASP A 110 -15.042 -16.846 10.016 1.00 0.00 C ATOM 1417 C ASP A 110 -14.481 -17.534 11.256 1.00 0.00 C ATOM 1418 O ASP A 110 -14.995 -17.358 12.360 1.00 0.00 O ATOM 1419 CB ASP A 110 -15.792 -17.867 9.156 1.00 0.00 C ATOM 1420 CG ASP A 110 -16.865 -17.166 8.324 1.00 0.00 C ATOM 1421 OD1 ASP A 110 -17.051 -15.976 8.518 1.00 0.00 O ATOM 1422 OD2 ASP A 110 -17.483 -17.830 7.508 1.00 0.00 O ATOM 0 H ASP A 110 -13.809 -16.661 8.328 1.00 0.00 H new ATOM 0 HA ASP A 110 -15.731 -16.061 10.328 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -15.093 -18.385 8.500 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -16.251 -18.623 9.793 1.00 0.00 H new ATOM 1427 N GLU A 111 -13.424 -18.318 11.065 1.00 0.00 N ATOM 1428 CA GLU A 111 -12.804 -19.030 12.178 1.00 0.00 C ATOM 1429 C GLU A 111 -12.342 -18.049 13.249 1.00 0.00 C ATOM 1430 O GLU A 111 -12.675 -18.199 14.426 1.00 0.00 O ATOM 1431 CB GLU A 111 -11.606 -19.837 11.675 1.00 0.00 C ATOM 1432 CG GLU A 111 -11.002 -20.630 12.836 1.00 0.00 C ATOM 1433 CD GLU A 111 -9.831 -21.471 12.340 1.00 0.00 C ATOM 1434 OE1 GLU A 111 -9.396 -21.245 11.222 1.00 0.00 O ATOM 1435 OE2 GLU A 111 -9.386 -22.329 13.084 1.00 0.00 O ATOM 0 H GLU A 111 -12.982 -18.476 10.159 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.542 -19.704 12.612 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -11.918 -20.515 10.881 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.858 -19.169 11.248 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.666 -19.948 13.617 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.761 -21.274 13.281 1.00 0.00 H new ATOM 1442 N LEU A 112 -11.581 -17.041 12.836 1.00 0.00 N ATOM 1443 CA LEU A 112 -11.083 -16.044 13.775 1.00 0.00 C ATOM 1444 C LEU A 112 -12.232 -15.452 14.583 1.00 0.00 C ATOM 1445 O LEU A 112 -12.121 -15.281 15.798 1.00 0.00 O ATOM 1446 CB LEU A 112 -10.364 -14.926 13.011 1.00 0.00 C ATOM 1447 CG LEU A 112 -9.994 -13.800 13.978 1.00 0.00 C ATOM 1448 CD1 LEU A 112 -9.034 -14.334 15.041 1.00 0.00 C ATOM 1449 CD2 LEU A 112 -9.321 -12.666 13.205 1.00 0.00 C ATOM 0 H LEU A 112 -11.298 -16.894 11.867 1.00 0.00 H new ATOM 0 HA LEU A 112 -10.384 -16.527 14.458 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -9.466 -15.318 12.532 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -11.006 -14.542 12.218 1.00 0.00 H new ATOM 0 HG LEU A 112 -10.896 -13.425 14.461 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -8.771 -13.531 15.730 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.515 -15.142 15.592 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.131 -14.710 14.560 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.057 -11.863 13.893 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.419 -13.041 12.721 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -10.007 -12.284 12.448 1.00 0.00 H new ATOM 1461 N ASP A 113 -13.327 -15.136 13.904 1.00 0.00 N ATOM 1462 CA ASP A 113 -14.487 -14.560 14.575 1.00 0.00 C ATOM 1463 C ASP A 113 -15.006 -15.508 15.651 1.00 0.00 C ATOM 1464 O ASP A 113 -15.315 -15.086 16.766 1.00 0.00 O ATOM 1465 CB ASP A 113 -15.596 -14.287 13.554 1.00 0.00 C ATOM 1466 CG ASP A 113 -15.378 -12.928 12.891 1.00 0.00 C ATOM 1467 OD1 ASP A 113 -14.667 -12.120 13.465 1.00 0.00 O ATOM 1468 OD2 ASP A 113 -15.924 -12.716 11.821 1.00 0.00 O ATOM 0 H ASP A 113 -13.437 -15.267 12.898 1.00 0.00 H new ATOM 0 HA ASP A 113 -14.187 -13.624 15.045 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -15.605 -15.072 12.798 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -16.568 -14.308 14.047 1.00 0.00 H new ATOM 1473 N GLN A 114 -15.098 -16.789 15.311 1.00 0.00 N ATOM 1474 CA GLN A 114 -15.581 -17.787 16.260 1.00 0.00 C ATOM 1475 C GLN A 114 -14.654 -17.869 17.467 1.00 0.00 C ATOM 1476 O GLN A 114 -15.109 -17.875 18.612 1.00 0.00 O ATOM 1477 CB GLN A 114 -15.660 -19.156 15.581 1.00 0.00 C ATOM 1478 CG GLN A 114 -16.728 -19.124 14.486 1.00 0.00 C ATOM 1479 CD GLN A 114 -18.101 -18.884 15.105 1.00 0.00 C ATOM 1480 OE1 GLN A 114 -18.505 -19.602 16.019 1.00 0.00 O ATOM 1481 NE2 GLN A 114 -18.847 -17.911 14.658 1.00 0.00 N ATOM 0 H GLN A 114 -14.847 -17.159 14.394 1.00 0.00 H new ATOM 0 HA GLN A 114 -16.574 -17.491 16.598 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -14.693 -19.417 15.152 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -15.901 -19.924 16.316 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -16.501 -18.336 13.768 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -16.727 -20.066 13.937 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -18.510 -17.317 13.900 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -19.767 -17.745 15.066 1.00 0.00 H new ATOM 1490 N LEU A 115 -13.353 -17.931 17.207 1.00 0.00 N ATOM 1491 CA LEU A 115 -12.374 -18.017 18.283 1.00 0.00 C ATOM 1492 C LEU A 115 -12.500 -16.816 19.214 1.00 0.00 C ATOM 1493 O LEU A 115 -12.439 -16.958 20.436 1.00 0.00 O ATOM 1494 CB LEU A 115 -10.961 -18.058 17.696 1.00 0.00 C ATOM 1495 CG LEU A 115 -10.770 -19.356 16.910 1.00 0.00 C ATOM 1496 CD1 LEU A 115 -9.424 -19.323 16.183 1.00 0.00 C ATOM 1497 CD2 LEU A 115 -10.801 -20.546 17.873 1.00 0.00 C ATOM 0 H LEU A 115 -12.954 -17.923 16.268 1.00 0.00 H new ATOM 0 HA LEU A 115 -12.561 -18.928 18.851 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.802 -17.199 17.044 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -10.222 -17.993 18.495 1.00 0.00 H new ATOM 0 HG LEU A 115 -11.573 -19.458 16.180 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -9.290 -20.249 15.624 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -9.402 -18.477 15.496 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -8.620 -19.219 16.911 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -10.665 -21.471 17.313 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -9.999 -20.443 18.604 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.761 -20.572 18.389 1.00 0.00 H new ATOM 1509 N CYS A 116 -12.680 -15.635 18.631 1.00 0.00 N ATOM 1510 CA CYS A 116 -12.820 -14.418 19.423 1.00 0.00 C ATOM 1511 C CYS A 116 -14.071 -14.485 20.294 1.00 0.00 C ATOM 1512 O CYS A 116 -14.052 -14.079 21.456 1.00 0.00 O ATOM 1513 CB CYS A 116 -12.905 -13.202 18.499 1.00 0.00 C ATOM 1514 SG CYS A 116 -11.333 -12.996 17.627 1.00 0.00 S ATOM 0 H CYS A 116 -12.732 -15.495 17.622 1.00 0.00 H new ATOM 0 HA CYS A 116 -11.947 -14.325 20.069 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -13.716 -13.332 17.783 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -13.132 -12.307 19.078 1.00 0.00 H new ATOM 0 HG CYS A 116 -11.251 -13.869 16.667 1.00 0.00 H new ATOM 1520 N ASP A 117 -15.155 -15.002 19.725 1.00 0.00 N ATOM 1521 CA ASP A 117 -16.409 -15.119 20.462 1.00 0.00 C ATOM 1522 C ASP A 117 -16.232 -16.023 21.677 1.00 0.00 C ATOM 1523 O ASP A 117 -16.678 -15.695 22.776 1.00 0.00 O ATOM 1524 CB ASP A 117 -17.497 -15.690 19.551 1.00 0.00 C ATOM 1525 CG ASP A 117 -18.811 -15.805 20.317 1.00 0.00 C ATOM 1526 OD1 ASP A 117 -18.798 -15.567 21.513 1.00 0.00 O ATOM 1527 OD2 ASP A 117 -19.809 -16.130 19.696 1.00 0.00 O ATOM 0 H ASP A 117 -15.192 -15.344 18.765 1.00 0.00 H new ATOM 0 HA ASP A 117 -16.705 -14.127 20.802 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -17.629 -15.047 18.681 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -17.195 -16.670 19.180 1.00 0.00 H new ATOM 1532 N GLU A 118 -15.580 -17.163 21.471 1.00 0.00 N ATOM 1533 CA GLU A 118 -15.354 -18.108 22.559 1.00 0.00 C ATOM 1534 C GLU A 118 -14.495 -17.473 23.647 1.00 0.00 C ATOM 1535 O GLU A 118 -14.802 -17.580 24.834 1.00 0.00 O ATOM 1536 CB GLU A 118 -14.661 -19.362 22.022 1.00 0.00 C ATOM 1537 CG GLU A 118 -14.663 -20.447 23.101 1.00 0.00 C ATOM 1538 CD GLU A 118 -14.206 -21.774 22.506 1.00 0.00 C ATOM 1539 OE1 GLU A 118 -14.195 -21.883 21.291 1.00 0.00 O ATOM 1540 OE2 GLU A 118 -13.875 -22.663 23.273 1.00 0.00 O ATOM 0 H GLU A 118 -15.202 -17.453 20.569 1.00 0.00 H new ATOM 0 HA GLU A 118 -16.318 -18.382 22.988 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -15.174 -19.720 21.130 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -13.638 -19.128 21.729 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -14.003 -20.159 23.919 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -15.663 -20.552 23.521 1.00 0.00 H new ATOM 1547 N TRP A 119 -13.420 -16.809 23.234 1.00 0.00 N ATOM 1548 CA TRP A 119 -12.526 -16.156 24.182 1.00 0.00 C ATOM 1549 C TRP A 119 -13.249 -15.027 24.911 1.00 0.00 C ATOM 1550 O TRP A 119 -13.066 -14.832 26.112 1.00 0.00 O ATOM 1551 CB TRP A 119 -11.304 -15.597 23.450 1.00 0.00 C ATOM 1552 CG TRP A 119 -10.514 -14.737 24.383 1.00 0.00 C ATOM 1553 CD1 TRP A 119 -10.443 -13.388 24.323 1.00 0.00 C ATOM 1554 CD2 TRP A 119 -9.685 -15.141 25.510 1.00 0.00 C ATOM 1555 NE1 TRP A 119 -9.623 -12.938 25.342 1.00 0.00 N ATOM 1556 CE2 TRP A 119 -9.131 -13.981 26.101 1.00 0.00 C ATOM 1557 CE3 TRP A 119 -9.362 -16.390 26.072 1.00 0.00 C ATOM 1558 CZ2 TRP A 119 -8.288 -14.056 27.210 1.00 0.00 C ATOM 1559 CZ3 TRP A 119 -8.513 -16.469 27.189 1.00 0.00 C ATOM 1560 CH2 TRP A 119 -7.977 -15.304 27.756 1.00 0.00 C ATOM 0 H TRP A 119 -13.149 -16.710 22.256 1.00 0.00 H new ATOM 0 HA TRP A 119 -12.201 -16.895 24.914 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -10.685 -16.413 23.078 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -11.620 -15.017 22.583 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -10.944 -12.764 23.598 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -9.408 -11.955 25.512 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -9.769 -17.293 25.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -7.879 -13.156 27.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -8.272 -17.433 27.613 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -7.324 -15.371 28.614 1.00 0.00 H new ATOM 1571 N LYS A 120 -14.069 -14.286 24.173 1.00 0.00 N ATOM 1572 CA LYS A 120 -14.814 -13.177 24.757 1.00 0.00 C ATOM 1573 C LYS A 120 -15.764 -13.684 25.836 1.00 0.00 C ATOM 1574 O LYS A 120 -15.964 -13.029 26.860 1.00 0.00 O ATOM 1575 CB LYS A 120 -15.610 -12.452 23.670 1.00 0.00 C ATOM 1576 CG LYS A 120 -16.288 -11.219 24.271 1.00 0.00 C ATOM 1577 CD LYS A 120 -17.038 -10.463 23.172 1.00 0.00 C ATOM 1578 CE LYS A 120 -17.703 -9.221 23.769 1.00 0.00 C ATOM 1579 NZ LYS A 120 -18.418 -8.475 22.695 1.00 0.00 N ATOM 0 H LYS A 120 -14.234 -14.432 23.177 1.00 0.00 H new ATOM 0 HA LYS A 120 -14.105 -12.483 25.209 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -14.948 -12.156 22.856 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -16.358 -13.121 23.245 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -16.980 -11.519 25.058 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -15.543 -10.569 24.731 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -16.348 -10.174 22.379 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -17.790 -11.109 22.720 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -18.403 -9.511 24.553 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -16.952 -8.581 24.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -18.827 -7.604 23.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -17.749 -8.230 21.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -19.178 -9.069 22.306 1.00 0.00 H new ATOM 1593 N ALA A 121 -16.351 -14.853 25.599 1.00 0.00 N ATOM 1594 CA ALA A 121 -17.280 -15.439 26.559 1.00 0.00 C ATOM 1595 C ALA A 121 -16.560 -15.796 27.856 1.00 0.00 C ATOM 1596 O ALA A 121 -17.058 -15.526 28.949 1.00 0.00 O ATOM 1597 CB ALA A 121 -17.917 -16.697 25.968 1.00 0.00 C ATOM 0 H ALA A 121 -16.202 -15.410 24.757 1.00 0.00 H new ATOM 0 HA ALA A 121 -18.056 -14.705 26.777 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -18.609 -17.128 26.691 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -18.458 -16.438 25.058 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -17.139 -17.423 25.733 1.00 0.00 H new ATOM 1603 N ARG A 122 -15.381 -16.393 27.727 1.00 0.00 N ATOM 1604 CA ARG A 122 -14.600 -16.770 28.896 1.00 0.00 C ATOM 1605 C ARG A 122 -14.281 -15.540 29.743 1.00 0.00 C ATOM 1606 O ARG A 122 -14.351 -15.589 30.969 1.00 0.00 O ATOM 1607 CB ARG A 122 -13.300 -17.465 28.452 1.00 0.00 C ATOM 1608 CG ARG A 122 -12.099 -16.819 29.158 1.00 0.00 C ATOM 1609 CD ARG A 122 -10.842 -17.615 28.886 1.00 0.00 C ATOM 1610 NE ARG A 122 -9.691 -16.989 29.505 1.00 0.00 N ATOM 1611 CZ ARG A 122 -9.341 -17.272 30.755 1.00 0.00 C ATOM 1612 NH1 ARG A 122 -8.303 -16.690 31.290 1.00 0.00 N ATOM 1613 NH2 ARG A 122 -10.036 -18.132 31.448 1.00 0.00 N ATOM 0 H ARG A 122 -14.949 -16.624 26.832 1.00 0.00 H new ATOM 0 HA ARG A 122 -15.184 -17.462 29.502 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -13.345 -18.528 28.690 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -13.185 -17.385 27.371 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -11.971 -15.794 28.810 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -12.282 -16.770 30.231 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -10.959 -18.629 29.268 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -10.683 -17.696 27.811 1.00 0.00 H new ATOM 0 HE ARG A 122 -9.139 -16.318 28.971 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -7.760 -16.017 30.749 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -8.035 -16.908 32.250 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -10.848 -18.587 31.030 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -9.768 -18.349 32.408 1.00 0.00 H new ATOM 1627 N LEU A 123 -13.892 -14.462 29.077 1.00 0.00 N ATOM 1628 CA LEU A 123 -13.536 -13.237 29.776 1.00 0.00 C ATOM 1629 C LEU A 123 -14.742 -12.698 30.535 1.00 0.00 C ATOM 1630 O LEU A 123 -14.613 -12.205 31.654 1.00 0.00 O ATOM 1631 CB LEU A 123 -13.046 -12.186 28.778 1.00 0.00 C ATOM 1632 CG LEU A 123 -11.676 -12.596 28.234 1.00 0.00 C ATOM 1633 CD1 LEU A 123 -11.255 -11.628 27.125 1.00 0.00 C ATOM 1634 CD2 LEU A 123 -10.644 -12.557 29.367 1.00 0.00 C ATOM 0 H LEU A 123 -13.815 -14.411 28.061 1.00 0.00 H new ATOM 0 HA LEU A 123 -12.737 -13.459 30.484 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -13.759 -12.087 27.959 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -12.980 -11.212 29.263 1.00 0.00 H new ATOM 0 HG LEU A 123 -11.734 -13.607 27.830 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -10.279 -11.921 26.738 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -11.988 -11.657 26.319 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -11.197 -10.617 27.527 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -9.668 -12.849 28.980 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -10.586 -11.547 29.772 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -10.943 -13.248 30.156 1.00 0.00 H new ATOM 1646 N SER A 124 -15.914 -12.794 29.917 1.00 0.00 N ATOM 1647 CA SER A 124 -17.141 -12.315 30.543 1.00 0.00 C ATOM 1648 C SER A 124 -17.507 -13.187 31.741 1.00 0.00 C ATOM 1649 O SER A 124 -17.949 -12.687 32.775 1.00 0.00 O ATOM 1650 CB SER A 124 -18.284 -12.325 29.531 1.00 0.00 C ATOM 1651 OG SER A 124 -19.460 -11.815 30.146 1.00 0.00 O ATOM 0 H SER A 124 -16.040 -13.197 28.988 1.00 0.00 H new ATOM 0 HA SER A 124 -16.975 -11.295 30.889 1.00 0.00 H new ATOM 0 HB2 SER A 124 -18.022 -11.720 28.663 1.00 0.00 H new ATOM 0 HB3 SER A 124 -18.458 -13.339 29.172 1.00 0.00 H new ATOM 0 HG SER A 124 -20.196 -11.819 29.499 1.00 0.00 H new ATOM 1657 N GLU A 125 -17.323 -14.495 31.591 1.00 0.00 N ATOM 1658 CA GLU A 125 -17.642 -15.429 32.664 1.00 0.00 C ATOM 1659 C GLU A 125 -16.820 -15.112 33.910 1.00 0.00 C ATOM 1660 O GLU A 125 -17.331 -15.150 35.027 1.00 0.00 O ATOM 1661 CB GLU A 125 -17.353 -16.862 32.212 1.00 0.00 C ATOM 1662 CG GLU A 125 -17.750 -17.838 33.321 1.00 0.00 C ATOM 1663 CD GLU A 125 -17.505 -19.273 32.866 1.00 0.00 C ATOM 1664 OE1 GLU A 125 -16.850 -19.448 31.852 1.00 0.00 O ATOM 1665 OE2 GLU A 125 -17.976 -20.175 33.538 1.00 0.00 O ATOM 0 H GLU A 125 -16.957 -14.929 30.744 1.00 0.00 H new ATOM 0 HA GLU A 125 -18.701 -15.330 32.904 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -17.908 -17.086 31.301 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -16.295 -16.974 31.977 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -17.174 -17.630 34.223 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -18.801 -17.703 33.576 1.00 0.00 H new ATOM 1672 N LEU A 126 -15.546 -14.799 33.707 1.00 0.00 N ATOM 1673 CA LEU A 126 -14.660 -14.472 34.818 1.00 0.00 C ATOM 1674 C LEU A 126 -15.069 -13.148 35.457 1.00 0.00 C ATOM 1675 O LEU A 126 -14.948 -12.967 36.668 1.00 0.00 O ATOM 1676 CB LEU A 126 -13.215 -14.383 34.329 1.00 0.00 C ATOM 1677 CG LEU A 126 -12.757 -15.760 33.842 1.00 0.00 C ATOM 1678 CD1 LEU A 126 -11.362 -15.644 33.225 1.00 0.00 C ATOM 1679 CD2 LEU A 126 -12.713 -16.733 35.024 1.00 0.00 C ATOM 0 H LEU A 126 -15.105 -14.765 32.788 1.00 0.00 H new ATOM 0 HA LEU A 126 -14.739 -15.262 35.565 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -13.137 -13.655 33.521 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -12.568 -14.036 35.134 1.00 0.00 H new ATOM 0 HG LEU A 126 -13.457 -16.131 33.093 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -11.035 -16.624 32.878 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -11.393 -14.953 32.383 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -10.663 -15.272 33.974 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -12.387 -17.713 34.676 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -12.014 -16.363 35.774 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -13.707 -16.816 35.464 1.00 0.00 H new ATOM 1691 N GLN A 127 -15.548 -12.223 34.631 1.00 0.00 N ATOM 1692 CA GLN A 127 -15.971 -10.917 35.125 1.00 0.00 C ATOM 1693 C GLN A 127 -17.194 -11.052 36.025 1.00 0.00 C ATOM 1694 O GLN A 127 -17.278 -10.414 37.074 1.00 0.00 O ATOM 1695 CB GLN A 127 -16.298 -9.995 33.950 1.00 0.00 C ATOM 1696 CG GLN A 127 -15.001 -9.537 33.280 1.00 0.00 C ATOM 1697 CD GLN A 127 -15.319 -8.709 32.039 1.00 0.00 C ATOM 1698 OE1 GLN A 127 -16.486 -8.448 31.748 1.00 0.00 O ATOM 1699 NE2 GLN A 127 -14.344 -8.280 31.286 1.00 0.00 N ATOM 0 H GLN A 127 -15.653 -12.352 33.625 1.00 0.00 H new ATOM 0 HA GLN A 127 -15.154 -10.489 35.706 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -16.927 -10.517 33.229 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -16.864 -9.131 34.299 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -14.410 -8.946 33.980 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -14.399 -10.403 33.005 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -13.378 -8.498 31.530 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -14.548 -7.727 30.454 1.00 0.00 H new ATOM 1708 N GLN A 128 -18.138 -11.889 35.609 1.00 0.00 N ATOM 1709 CA GLN A 128 -19.353 -12.101 36.386 1.00 0.00 C ATOM 1710 C GLN A 128 -19.013 -12.578 37.793 1.00 0.00 C ATOM 1711 O GLN A 128 -19.673 -12.204 38.762 1.00 0.00 O ATOM 1712 CB GLN A 128 -20.241 -13.138 35.695 1.00 0.00 C ATOM 1713 CG GLN A 128 -20.793 -12.554 34.393 1.00 0.00 C ATOM 1714 CD GLN A 128 -21.614 -13.606 33.656 1.00 0.00 C ATOM 1715 OE1 GLN A 128 -21.080 -14.636 33.244 1.00 0.00 O ATOM 1716 NE2 GLN A 128 -22.890 -13.408 33.464 1.00 0.00 N ATOM 0 H GLN A 128 -18.086 -12.428 34.745 1.00 0.00 H new ATOM 0 HA GLN A 128 -19.887 -11.153 36.455 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -19.668 -14.041 35.486 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -21.061 -13.426 36.353 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -21.412 -11.683 34.609 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -19.973 -12.213 33.761 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -23.331 -12.554 33.806 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -23.446 -14.107 32.972 1.00 0.00 H new ATOM 1725 N TYR A 129 -17.980 -13.406 37.898 1.00 0.00 N ATOM 1726 CA TYR A 129 -17.565 -13.933 39.193 1.00 0.00 C ATOM 1727 C TYR A 129 -17.237 -12.797 40.154 1.00 0.00 C ATOM 1728 O TYR A 129 -17.557 -12.865 41.342 1.00 0.00 O ATOM 1729 CB TYR A 129 -16.337 -14.832 39.022 1.00 0.00 C ATOM 1730 CG TYR A 129 -16.779 -16.234 38.677 1.00 0.00 C ATOM 1731 CD1 TYR A 129 -17.721 -16.442 37.662 1.00 0.00 C ATOM 1732 CD2 TYR A 129 -16.249 -17.327 39.374 1.00 0.00 C ATOM 1733 CE1 TYR A 129 -18.132 -17.742 37.344 1.00 0.00 C ATOM 1734 CE2 TYR A 129 -16.660 -18.627 39.056 1.00 0.00 C ATOM 1735 CZ TYR A 129 -17.602 -18.834 38.041 1.00 0.00 C ATOM 1736 OH TYR A 129 -18.008 -20.115 37.728 1.00 0.00 O ATOM 0 H TYR A 129 -17.418 -13.725 37.109 1.00 0.00 H new ATOM 0 HA TYR A 129 -18.387 -14.517 39.607 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -15.693 -14.439 38.235 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -15.750 -14.841 39.940 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -18.130 -15.600 37.124 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -15.523 -17.167 40.157 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -18.858 -17.902 36.561 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -16.251 -19.470 39.593 1.00 0.00 H new ATOM 0 HH TYR A 129 -17.543 -20.756 38.305 1.00 0.00 H new ATOM 1746 N ARG A 130 -16.598 -11.755 39.636 1.00 0.00 N ATOM 1747 CA ARG A 130 -16.232 -10.610 40.460 1.00 0.00 C ATOM 1748 C ARG A 130 -17.475 -9.975 41.077 1.00 0.00 C ATOM 1749 O ARG A 130 -17.485 -9.631 42.259 1.00 0.00 O ATOM 1750 CB ARG A 130 -15.496 -9.571 39.612 1.00 0.00 C ATOM 1751 CG ARG A 130 -15.042 -8.412 40.502 1.00 0.00 C ATOM 1752 CD ARG A 130 -14.313 -7.370 39.652 1.00 0.00 C ATOM 1753 NE ARG A 130 -13.731 -6.340 40.506 1.00 0.00 N ATOM 1754 CZ ARG A 130 -13.055 -5.320 39.989 1.00 0.00 C ATOM 1755 NH1 ARG A 130 -12.544 -4.411 40.773 1.00 0.00 N ATOM 1756 NH2 ARG A 130 -12.903 -5.226 38.696 1.00 0.00 N ATOM 0 H ARG A 130 -16.324 -11.679 38.656 1.00 0.00 H new ATOM 0 HA ARG A 130 -15.578 -10.956 41.260 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -14.635 -10.028 39.125 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -16.150 -9.202 38.822 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -15.903 -7.958 40.993 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -14.383 -8.780 41.289 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -13.530 -7.851 39.066 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -15.008 -6.917 38.945 1.00 0.00 H new ATOM 0 HE ARG A 130 -13.845 -6.404 41.518 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -12.663 -4.483 41.783 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -12.025 -3.628 40.376 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -13.303 -5.936 38.083 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -12.384 -4.443 38.299 1.00 0.00 H new ATOM 1770 N GLU A 131 -18.520 -9.825 40.270 1.00 0.00 N ATOM 1771 CA GLU A 131 -19.763 -9.233 40.749 1.00 0.00 C ATOM 1772 C GLU A 131 -20.464 -10.172 41.727 1.00 0.00 C ATOM 1773 O GLU A 131 -21.018 -9.735 42.735 1.00 0.00 O ATOM 1774 CB GLU A 131 -20.691 -8.938 39.569 1.00 0.00 C ATOM 1775 CG GLU A 131 -20.090 -7.821 38.714 1.00 0.00 C ATOM 1776 CD GLU A 131 -20.962 -7.576 37.488 1.00 0.00 C ATOM 1777 OE1 GLU A 131 -21.973 -8.247 37.361 1.00 0.00 O ATOM 1778 OE2 GLU A 131 -20.606 -6.722 36.693 1.00 0.00 O ATOM 0 H GLU A 131 -18.531 -10.103 39.289 1.00 0.00 H new ATOM 0 HA GLU A 131 -19.524 -8.303 41.264 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -20.829 -9.837 38.968 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -21.676 -8.643 39.932 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -20.009 -6.906 39.301 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -19.081 -8.092 38.404 1.00 0.00 H new