USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 750 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 62 TYR OH : rot 180:sc= 0.0361 USER MOD Set 1.2: A 87 TYR OH : rot 23:sc= 0.0382 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -2.46 K(o=-2.5,f=-8.9!) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -121:sc= -0.226 (180deg=-1.15) USER MOD Single : A 53 GLN : amide:sc= -0.403 K(o=-0.4,f=-2.2!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -1.16 K(o=-1.2,f=-12!) USER MOD Single : A 60 MET CE :methyl 147:sc= -0.691 (180deg=-2.7!) USER MOD Single : A 61 THR OG1 : rot 180:sc=-0.00955 USER MOD Single : A 64 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.179) USER MOD Single : A 66 SER OG : rot 96:sc= 1.24 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 130:sc= 0.0556 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 133:sc= -0.218 (180deg=-1.02) USER MOD Single : A 75 THR OG1 : rot -160:sc= -0.766 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -1.07 X(o=-1.1,f=-1.2) USER MOD Single : A 94 HIS : no HD1:sc= -1.84 K(o=-1.8,f=-0.54) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 105 N LEU A 11 25.268 -10.504 -0.706 1.00 0.00 N ATOM 106 CA LEU A 11 25.709 -11.441 -1.733 1.00 0.00 C ATOM 107 C LEU A 11 24.922 -12.745 -1.654 1.00 0.00 C ATOM 108 O LEU A 11 24.314 -13.174 -2.635 1.00 0.00 O ATOM 109 CB LEU A 11 27.205 -11.725 -1.584 1.00 0.00 C ATOM 110 CG LEU A 11 27.725 -12.974 -2.296 1.00 0.00 C ATOM 111 CD1 LEU A 11 27.943 -12.695 -3.775 1.00 0.00 C ATOM 112 CD2 LEU A 11 29.014 -13.460 -1.647 1.00 0.00 C ATOM 0 HA LEU A 11 25.527 -10.987 -2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 11 27.757 -10.862 -1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 11 27.433 -11.815 -0.522 1.00 0.00 H new ATOM 0 HG LEU A 11 26.975 -13.760 -2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 11 28.313 -13.596 -4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 11 27.000 -12.395 -4.232 1.00 0.00 H new ATOM 0 HD13 LEU A 11 28.673 -11.893 -3.890 1.00 0.00 H new ATOM 0 HD21 LEU A 11 29.370 -14.350 -2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 11 29.770 -12.677 -1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 11 28.826 -13.702 -0.601 1.00 0.00 H new ATOM 124 N TRP A 12 24.938 -13.369 -0.482 1.00 0.00 N ATOM 125 CA TRP A 12 24.223 -14.624 -0.275 1.00 0.00 C ATOM 126 C TRP A 12 22.866 -14.598 -0.969 1.00 0.00 C ATOM 127 O TRP A 12 22.415 -15.609 -1.506 1.00 0.00 O ATOM 128 CB TRP A 12 24.041 -14.890 1.220 1.00 0.00 C ATOM 129 CG TRP A 12 22.876 -14.160 1.816 1.00 0.00 C ATOM 130 CD1 TRP A 12 22.903 -12.950 2.449 1.00 0.00 C ATOM 131 CD2 TRP A 12 21.512 -14.595 1.835 1.00 0.00 C ATOM 132 NE1 TRP A 12 21.638 -12.607 2.860 1.00 0.00 N ATOM 133 CE2 TRP A 12 20.766 -13.599 2.495 1.00 0.00 C ATOM 134 CE3 TRP A 12 20.847 -15.728 1.357 1.00 0.00 C ATOM 135 CZ2 TRP A 12 19.391 -13.704 2.689 1.00 0.00 C ATOM 136 CZ3 TRP A 12 19.483 -15.831 1.551 1.00 0.00 C ATOM 137 CH2 TRP A 12 18.767 -14.823 2.212 1.00 0.00 C ATOM 0 H TRP A 12 25.438 -13.027 0.339 1.00 0.00 H new ATOM 0 HA TRP A 12 24.817 -15.428 -0.710 1.00 0.00 H new ATOM 0 HB2 TRP A 12 23.909 -15.960 1.378 1.00 0.00 H new ATOM 0 HB3 TRP A 12 24.950 -14.600 1.747 1.00 0.00 H new ATOM 0 HD1 TRP A 12 23.788 -12.351 2.604 1.00 0.00 H new ATOM 0 HE1 TRP A 12 21.388 -11.752 3.357 1.00 0.00 H new ATOM 0 HE3 TRP A 12 21.390 -16.509 0.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 18.837 -12.929 3.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 18.959 -16.703 1.187 1.00 0.00 H new ATOM 0 HH2 TRP A 12 17.701 -14.933 2.347 1.00 0.00 H new ATOM 148 N GLU A 13 22.220 -13.436 -0.953 1.00 0.00 N ATOM 149 CA GLU A 13 20.913 -13.281 -1.581 1.00 0.00 C ATOM 150 C GLU A 13 21.044 -13.211 -3.099 1.00 0.00 C ATOM 151 O GLU A 13 20.240 -13.790 -3.830 1.00 0.00 O ATOM 152 CB GLU A 13 20.218 -12.022 -1.058 1.00 0.00 C ATOM 153 CG GLU A 13 19.192 -12.299 0.028 1.00 0.00 C ATOM 154 CD GLU A 13 17.912 -11.510 -0.163 1.00 0.00 C ATOM 155 OE1 GLU A 13 17.293 -11.634 -1.240 1.00 0.00 O ATOM 156 OE2 GLU A 13 17.529 -10.768 0.766 1.00 0.00 O ATOM 0 H GLU A 13 22.580 -12.589 -0.513 1.00 0.00 H new ATOM 0 HA GLU A 13 20.310 -14.152 -1.326 1.00 0.00 H new ATOM 0 HB2 GLU A 13 20.971 -11.337 -0.668 1.00 0.00 H new ATOM 0 HB3 GLU A 13 19.727 -11.516 -1.889 1.00 0.00 H new ATOM 0 HG2 GLU A 13 18.959 -13.364 0.040 1.00 0.00 H new ATOM 0 HG3 GLU A 13 19.622 -12.056 1.000 1.00 0.00 H new ATOM 163 N PHE A 14 22.062 -12.497 -3.567 1.00 0.00 N ATOM 164 CA PHE A 14 22.298 -12.348 -4.998 1.00 0.00 C ATOM 165 C PHE A 14 22.539 -13.705 -5.654 1.00 0.00 C ATOM 166 O PHE A 14 21.922 -14.036 -6.666 1.00 0.00 O ATOM 167 CB PHE A 14 23.496 -11.429 -5.246 1.00 0.00 C ATOM 168 CG PHE A 14 24.211 -11.712 -6.537 1.00 0.00 C ATOM 169 CD1 PHE A 14 23.809 -11.102 -7.714 1.00 0.00 C ATOM 170 CD2 PHE A 14 25.284 -12.588 -6.572 1.00 0.00 C ATOM 171 CE1 PHE A 14 24.465 -11.359 -8.904 1.00 0.00 C ATOM 172 CE2 PHE A 14 25.944 -12.849 -7.759 1.00 0.00 C ATOM 173 CZ PHE A 14 25.533 -12.235 -8.926 1.00 0.00 C ATOM 0 H PHE A 14 22.737 -12.012 -2.976 1.00 0.00 H new ATOM 0 HA PHE A 14 21.409 -11.902 -5.443 1.00 0.00 H new ATOM 0 HB2 PHE A 14 23.155 -10.394 -5.248 1.00 0.00 H new ATOM 0 HB3 PHE A 14 24.200 -11.532 -4.420 1.00 0.00 H new ATOM 0 HD1 PHE A 14 22.974 -10.418 -7.702 1.00 0.00 H new ATOM 0 HD2 PHE A 14 25.608 -13.072 -5.663 1.00 0.00 H new ATOM 0 HE1 PHE A 14 24.143 -10.876 -9.815 1.00 0.00 H new ATOM 0 HE2 PHE A 14 26.780 -13.532 -7.773 1.00 0.00 H new ATOM 0 HZ PHE A 14 26.046 -12.439 -9.854 1.00 0.00 H new ATOM 183 N VAL A 15 23.441 -14.486 -5.068 1.00 0.00 N ATOM 184 CA VAL A 15 23.763 -15.807 -5.594 1.00 0.00 C ATOM 185 C VAL A 15 22.591 -16.768 -5.424 1.00 0.00 C ATOM 186 O VAL A 15 22.315 -17.587 -6.301 1.00 0.00 O ATOM 187 CB VAL A 15 25.003 -16.400 -4.899 1.00 0.00 C ATOM 188 CG1 VAL A 15 24.834 -16.370 -3.388 1.00 0.00 C ATOM 189 CG2 VAL A 15 25.260 -17.818 -5.386 1.00 0.00 C ATOM 0 H VAL A 15 23.961 -14.227 -4.230 1.00 0.00 H new ATOM 0 HA VAL A 15 23.975 -15.682 -6.656 1.00 0.00 H new ATOM 0 HB VAL A 15 25.868 -15.789 -5.156 1.00 0.00 H new ATOM 0 HG11 VAL A 15 25.720 -16.793 -2.914 1.00 0.00 H new ATOM 0 HG12 VAL A 15 24.702 -15.340 -3.057 1.00 0.00 H new ATOM 0 HG13 VAL A 15 23.958 -16.956 -3.108 1.00 0.00 H new ATOM 0 HG21 VAL A 15 26.140 -18.221 -4.884 1.00 0.00 H new ATOM 0 HG22 VAL A 15 24.396 -18.442 -5.160 1.00 0.00 H new ATOM 0 HG23 VAL A 15 25.429 -17.808 -6.463 1.00 0.00 H new ATOM 199 N ARG A 16 21.905 -16.660 -4.292 1.00 0.00 N ATOM 200 CA ARG A 16 20.762 -17.520 -4.006 1.00 0.00 C ATOM 201 C ARG A 16 19.623 -17.253 -4.985 1.00 0.00 C ATOM 202 O ARG A 16 18.937 -18.177 -5.423 1.00 0.00 O ATOM 203 CB ARG A 16 20.278 -17.302 -2.572 1.00 0.00 C ATOM 204 CG ARG A 16 19.151 -18.235 -2.161 1.00 0.00 C ATOM 205 CD ARG A 16 17.965 -17.463 -1.602 1.00 0.00 C ATOM 206 NE ARG A 16 17.537 -16.394 -2.500 1.00 0.00 N ATOM 207 CZ ARG A 16 16.470 -15.633 -2.280 1.00 0.00 C ATOM 208 NH1 ARG A 16 15.727 -15.824 -1.198 1.00 0.00 N ATOM 209 NH2 ARG A 16 16.144 -14.680 -3.143 1.00 0.00 N ATOM 0 H ARG A 16 22.120 -15.986 -3.557 1.00 0.00 H new ATOM 0 HA ARG A 16 21.081 -18.556 -4.120 1.00 0.00 H new ATOM 0 HB2 ARG A 16 21.117 -17.437 -1.890 1.00 0.00 H new ATOM 0 HB3 ARG A 16 19.942 -16.271 -2.464 1.00 0.00 H new ATOM 0 HG2 ARG A 16 18.831 -18.822 -3.022 1.00 0.00 H new ATOM 0 HG3 ARG A 16 19.514 -18.939 -1.412 1.00 0.00 H new ATOM 0 HD2 ARG A 16 17.134 -18.148 -1.431 1.00 0.00 H new ATOM 0 HD3 ARG A 16 18.232 -17.039 -0.634 1.00 0.00 H new ATOM 0 HE ARG A 16 18.087 -16.222 -3.342 1.00 0.00 H new ATOM 0 HH11 ARG A 16 15.974 -16.556 -0.532 1.00 0.00 H new ATOM 0 HH12 ARG A 16 14.909 -15.238 -1.031 1.00 0.00 H new ATOM 0 HH21 ARG A 16 16.712 -14.531 -3.977 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.325 -14.097 -2.973 1.00 0.00 H new ATOM 223 N ASP A 17 19.427 -15.983 -5.324 1.00 0.00 N ATOM 224 CA ASP A 17 18.371 -15.594 -6.252 1.00 0.00 C ATOM 225 C ASP A 17 18.530 -16.311 -7.588 1.00 0.00 C ATOM 226 O ASP A 17 17.562 -16.828 -8.147 1.00 0.00 O ATOM 227 CB ASP A 17 18.384 -14.079 -6.466 1.00 0.00 C ATOM 228 CG ASP A 17 17.119 -13.578 -7.133 1.00 0.00 C ATOM 229 OD1 ASP A 17 16.026 -13.794 -6.569 1.00 0.00 O ATOM 230 OD2 ASP A 17 17.221 -12.970 -8.219 1.00 0.00 O ATOM 0 H ASP A 17 19.985 -15.206 -4.970 1.00 0.00 H new ATOM 0 HA ASP A 17 17.414 -15.883 -5.817 1.00 0.00 H new ATOM 0 HB2 ASP A 17 18.506 -13.580 -5.505 1.00 0.00 H new ATOM 0 HB3 ASP A 17 19.245 -13.809 -7.077 1.00 0.00 H new ATOM 235 N LEU A 18 19.757 -16.338 -8.097 1.00 0.00 N ATOM 236 CA LEU A 18 20.044 -16.991 -9.369 1.00 0.00 C ATOM 237 C LEU A 18 19.456 -18.398 -9.404 1.00 0.00 C ATOM 238 O LEU A 18 18.867 -18.812 -10.404 1.00 0.00 O ATOM 239 CB LEU A 18 21.554 -17.052 -9.605 1.00 0.00 C ATOM 240 CG LEU A 18 22.141 -15.948 -10.485 1.00 0.00 C ATOM 241 CD1 LEU A 18 22.215 -14.637 -9.718 1.00 0.00 C ATOM 242 CD2 LEU A 18 23.518 -16.348 -10.995 1.00 0.00 C ATOM 0 H LEU A 18 20.569 -15.915 -7.648 1.00 0.00 H new ATOM 0 HA LEU A 18 19.582 -16.404 -10.162 1.00 0.00 H new ATOM 0 HB2 LEU A 18 22.054 -17.022 -8.637 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.792 -18.015 -10.057 1.00 0.00 H new ATOM 0 HG LEU A 18 21.485 -15.806 -11.344 1.00 0.00 H new ATOM 0 HD11 LEU A 18 22.635 -13.863 -10.360 1.00 0.00 H new ATOM 0 HD12 LEU A 18 21.214 -14.343 -9.403 1.00 0.00 H new ATOM 0 HD13 LEU A 18 22.849 -14.764 -8.841 1.00 0.00 H new ATOM 0 HD21 LEU A 18 23.921 -15.550 -11.620 1.00 0.00 H new ATOM 0 HD22 LEU A 18 24.184 -16.518 -10.149 1.00 0.00 H new ATOM 0 HD23 LEU A 18 23.437 -17.263 -11.582 1.00 0.00 H new ATOM 254 N LEU A 19 19.616 -19.128 -8.306 1.00 0.00 N ATOM 255 CA LEU A 19 19.098 -20.488 -8.209 1.00 0.00 C ATOM 256 C LEU A 19 17.586 -20.511 -8.411 1.00 0.00 C ATOM 257 O LEU A 19 17.033 -21.484 -8.926 1.00 0.00 O ATOM 258 CB LEU A 19 19.451 -21.094 -6.849 1.00 0.00 C ATOM 259 CG LEU A 19 20.926 -21.435 -6.629 1.00 0.00 C ATOM 260 CD1 LEU A 19 21.256 -21.439 -5.145 1.00 0.00 C ATOM 261 CD2 LEU A 19 21.262 -22.779 -7.257 1.00 0.00 C ATOM 0 H LEU A 19 20.100 -18.801 -7.470 1.00 0.00 H new ATOM 0 HA LEU A 19 19.561 -21.083 -8.996 1.00 0.00 H new ATOM 0 HB2 LEU A 19 19.140 -20.397 -6.071 1.00 0.00 H new ATOM 0 HB3 LEU A 19 18.865 -22.003 -6.715 1.00 0.00 H new ATOM 0 HG LEU A 19 21.533 -20.670 -7.113 1.00 0.00 H new ATOM 0 HD11 LEU A 19 22.309 -21.683 -5.007 1.00 0.00 H new ATOM 0 HD12 LEU A 19 21.054 -20.454 -4.725 1.00 0.00 H new ATOM 0 HD13 LEU A 19 20.642 -22.183 -4.638 1.00 0.00 H new ATOM 0 HD21 LEU A 19 22.315 -23.005 -7.091 1.00 0.00 H new ATOM 0 HD22 LEU A 19 20.648 -23.557 -6.803 1.00 0.00 H new ATOM 0 HD23 LEU A 19 21.064 -22.740 -8.328 1.00 0.00 H new ATOM 273 N LEU A 20 16.924 -19.434 -8.005 1.00 0.00 N ATOM 274 CA LEU A 20 15.475 -19.329 -8.143 1.00 0.00 C ATOM 275 C LEU A 20 15.104 -18.495 -9.365 1.00 0.00 C ATOM 276 O LEU A 20 13.932 -18.396 -9.729 1.00 0.00 O ATOM 277 CB LEU A 20 14.867 -18.708 -6.884 1.00 0.00 C ATOM 278 CG LEU A 20 15.568 -19.039 -5.566 1.00 0.00 C ATOM 279 CD1 LEU A 20 14.884 -18.334 -4.406 1.00 0.00 C ATOM 280 CD2 LEU A 20 15.594 -20.543 -5.339 1.00 0.00 C ATOM 0 H LEU A 20 17.367 -18.621 -7.577 1.00 0.00 H new ATOM 0 HA LEU A 20 15.073 -20.334 -8.276 1.00 0.00 H new ATOM 0 HB2 LEU A 20 14.858 -17.625 -7.005 1.00 0.00 H new ATOM 0 HB3 LEU A 20 13.828 -19.029 -6.810 1.00 0.00 H new ATOM 0 HG LEU A 20 16.597 -18.683 -5.624 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.397 -18.582 -3.476 1.00 0.00 H new ATOM 0 HD12 LEU A 20 14.919 -17.256 -4.564 1.00 0.00 H new ATOM 0 HD13 LEU A 20 13.845 -18.658 -4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 20 16.097 -20.760 -4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 20 14.573 -20.923 -5.302 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.131 -21.025 -6.156 1.00 0.00 H new ATOM 292 N SER A 21 16.111 -17.899 -9.996 1.00 0.00 N ATOM 293 CA SER A 21 15.890 -17.073 -11.177 1.00 0.00 C ATOM 294 C SER A 21 16.619 -17.649 -12.387 1.00 0.00 C ATOM 295 O SER A 21 17.717 -17.221 -12.745 1.00 0.00 O ATOM 296 CB SER A 21 16.361 -15.640 -10.918 1.00 0.00 C ATOM 297 OG SER A 21 15.343 -14.873 -10.298 1.00 0.00 O ATOM 0 H SER A 21 17.087 -17.973 -9.709 1.00 0.00 H new ATOM 0 HA SER A 21 14.821 -17.064 -11.389 1.00 0.00 H new ATOM 0 HB2 SER A 21 17.247 -15.654 -10.284 1.00 0.00 H new ATOM 0 HB3 SER A 21 16.650 -15.173 -11.860 1.00 0.00 H new ATOM 0 HG SER A 21 15.669 -13.962 -10.142 1.00 0.00 H new ATOM 303 N PRO A 22 15.995 -18.644 -13.035 1.00 0.00 N ATOM 304 CA PRO A 22 16.565 -19.301 -14.215 1.00 0.00 C ATOM 305 C PRO A 22 16.582 -18.387 -15.435 1.00 0.00 C ATOM 306 O PRO A 22 17.137 -18.737 -16.476 1.00 0.00 O ATOM 307 CB PRO A 22 15.626 -20.487 -14.449 1.00 0.00 C ATOM 308 CG PRO A 22 14.331 -20.070 -13.842 1.00 0.00 C ATOM 309 CD PRO A 22 14.685 -19.205 -12.664 1.00 0.00 C ATOM 0 HA PRO A 22 17.605 -19.587 -14.059 1.00 0.00 H new ATOM 0 HB2 PRO A 22 15.515 -20.700 -15.512 1.00 0.00 H new ATOM 0 HB3 PRO A 22 16.009 -21.394 -13.981 1.00 0.00 H new ATOM 0 HG2 PRO A 22 13.722 -19.521 -14.560 1.00 0.00 H new ATOM 0 HG3 PRO A 22 13.750 -20.937 -13.529 1.00 0.00 H new ATOM 0 HD2 PRO A 22 13.944 -18.422 -12.503 1.00 0.00 H new ATOM 0 HD3 PRO A 22 14.742 -19.784 -11.743 1.00 0.00 H new ATOM 317 N GLU A 23 15.970 -17.214 -15.299 1.00 0.00 N ATOM 318 CA GLU A 23 15.916 -16.250 -16.392 1.00 0.00 C ATOM 319 C GLU A 23 17.187 -15.408 -16.439 1.00 0.00 C ATOM 320 O GLU A 23 17.593 -14.938 -17.501 1.00 0.00 O ATOM 321 CB GLU A 23 14.694 -15.341 -16.240 1.00 0.00 C ATOM 322 CG GLU A 23 13.507 -15.770 -17.087 1.00 0.00 C ATOM 323 CD GLU A 23 12.179 -15.388 -16.464 1.00 0.00 C ATOM 324 OE1 GLU A 23 11.682 -16.151 -15.609 1.00 0.00 O ATOM 325 OE2 GLU A 23 11.636 -14.325 -16.832 1.00 0.00 O ATOM 0 H GLU A 23 15.505 -16.909 -14.444 1.00 0.00 H new ATOM 0 HA GLU A 23 15.834 -16.804 -17.327 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.394 -15.322 -15.192 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.973 -14.323 -16.510 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.586 -15.314 -18.074 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.539 -16.850 -17.231 1.00 0.00 H new ATOM 332 N GLU A 24 17.811 -15.223 -15.280 1.00 0.00 N ATOM 333 CA GLU A 24 19.035 -14.437 -15.188 1.00 0.00 C ATOM 334 C GLU A 24 20.257 -15.344 -15.076 1.00 0.00 C ATOM 335 O GLU A 24 21.274 -15.116 -15.729 1.00 0.00 O ATOM 336 CB GLU A 24 18.974 -13.495 -13.984 1.00 0.00 C ATOM 337 CG GLU A 24 18.574 -12.073 -14.343 1.00 0.00 C ATOM 338 CD GLU A 24 19.691 -11.075 -14.105 1.00 0.00 C ATOM 339 OE1 GLU A 24 20.520 -10.882 -15.018 1.00 0.00 O ATOM 340 OE2 GLU A 24 19.735 -10.488 -13.003 1.00 0.00 O ATOM 0 H GLU A 24 17.489 -15.607 -14.392 1.00 0.00 H new ATOM 0 HA GLU A 24 19.125 -13.845 -16.099 1.00 0.00 H new ATOM 0 HB2 GLU A 24 18.263 -13.891 -13.259 1.00 0.00 H new ATOM 0 HB3 GLU A 24 19.949 -13.477 -13.497 1.00 0.00 H new ATOM 0 HG2 GLU A 24 18.277 -12.037 -15.391 1.00 0.00 H new ATOM 0 HG3 GLU A 24 17.703 -11.785 -13.754 1.00 0.00 H new ATOM 347 N ASN A 25 20.148 -16.374 -14.243 1.00 0.00 N ATOM 348 CA ASN A 25 21.244 -17.315 -14.044 1.00 0.00 C ATOM 349 C ASN A 25 21.514 -18.113 -15.316 1.00 0.00 C ATOM 350 O ASN A 25 20.622 -18.778 -15.844 1.00 0.00 O ATOM 351 CB ASN A 25 20.923 -18.267 -12.889 1.00 0.00 C ATOM 352 CG ASN A 25 22.035 -19.266 -12.638 1.00 0.00 C ATOM 353 OD1 ASN A 25 23.200 -19.005 -12.941 1.00 0.00 O ATOM 354 ND2 ASN A 25 21.680 -20.418 -12.081 1.00 0.00 N ATOM 0 H ASN A 25 19.312 -16.578 -13.695 1.00 0.00 H new ATOM 0 HA ASN A 25 22.140 -16.745 -13.798 1.00 0.00 H new ATOM 0 HB2 ASN A 25 20.747 -17.688 -11.983 1.00 0.00 H new ATOM 0 HB3 ASN A 25 20.000 -18.803 -13.109 1.00 0.00 H new ATOM 0 HD21 ASN A 25 22.385 -21.130 -11.888 1.00 0.00 H new ATOM 0 HD22 ASN A 25 20.703 -20.591 -11.847 1.00 0.00 H new ATOM 361 N CYS A 26 22.748 -18.043 -15.801 1.00 0.00 N ATOM 362 CA CYS A 26 23.136 -18.758 -17.012 1.00 0.00 C ATOM 363 C CYS A 26 24.173 -19.832 -16.700 1.00 0.00 C ATOM 364 O CYS A 26 25.377 -19.584 -16.765 1.00 0.00 O ATOM 365 CB CYS A 26 23.690 -17.782 -18.051 1.00 0.00 C ATOM 366 SG CYS A 26 23.769 -18.455 -19.727 1.00 0.00 S ATOM 0 H CYS A 26 23.498 -17.498 -15.375 1.00 0.00 H new ATOM 0 HA CYS A 26 22.248 -19.243 -17.418 1.00 0.00 H new ATOM 0 HB2 CYS A 26 23.069 -16.886 -18.060 1.00 0.00 H new ATOM 0 HB3 CYS A 26 24.690 -17.474 -17.747 1.00 0.00 H new ATOM 0 HG CYS A 26 24.248 -17.555 -20.534 1.00 0.00 H new ATOM 372 N GLY A 27 23.698 -21.026 -16.359 1.00 0.00 N ATOM 373 CA GLY A 27 24.598 -22.119 -16.040 1.00 0.00 C ATOM 374 C GLY A 27 25.714 -21.697 -15.105 1.00 0.00 C ATOM 375 O GLY A 27 26.836 -22.196 -15.202 1.00 0.00 O ATOM 0 H GLY A 27 22.706 -21.256 -16.298 1.00 0.00 H new ATOM 0 HA2 GLY A 27 24.032 -22.930 -15.582 1.00 0.00 H new ATOM 0 HA3 GLY A 27 25.029 -22.511 -16.961 1.00 0.00 H new ATOM 379 N ILE A 28 25.409 -20.774 -14.200 1.00 0.00 N ATOM 380 CA ILE A 28 26.395 -20.285 -13.245 1.00 0.00 C ATOM 381 C ILE A 28 26.388 -21.122 -11.970 1.00 0.00 C ATOM 382 O ILE A 28 27.435 -21.365 -11.368 1.00 0.00 O ATOM 383 CB ILE A 28 26.142 -18.811 -12.878 1.00 0.00 C ATOM 384 CG1 ILE A 28 25.884 -17.986 -14.141 1.00 0.00 C ATOM 385 CG2 ILE A 28 27.323 -18.247 -12.103 1.00 0.00 C ATOM 386 CD1 ILE A 28 25.496 -16.552 -13.857 1.00 0.00 C ATOM 0 H ILE A 28 24.486 -20.349 -14.108 1.00 0.00 H new ATOM 0 HA ILE A 28 27.369 -20.369 -13.727 1.00 0.00 H new ATOM 0 HB ILE A 28 25.257 -18.757 -12.243 1.00 0.00 H new ATOM 0 HG12 ILE A 28 26.781 -17.995 -14.761 1.00 0.00 H new ATOM 0 HG13 ILE A 28 25.092 -18.461 -14.720 1.00 0.00 H new ATOM 0 HG21 ILE A 28 27.128 -17.204 -11.851 1.00 0.00 H new ATOM 0 HG22 ILE A 28 27.465 -18.821 -11.187 1.00 0.00 H new ATOM 0 HG23 ILE A 28 28.223 -18.311 -12.714 1.00 0.00 H new ATOM 0 HD11 ILE A 28 25.329 -16.027 -14.798 1.00 0.00 H new ATOM 0 HD12 ILE A 28 24.582 -16.533 -13.263 1.00 0.00 H new ATOM 0 HD13 ILE A 28 26.297 -16.061 -13.305 1.00 0.00 H new ATOM 398 N LEU A 29 25.202 -21.563 -11.565 1.00 0.00 N ATOM 399 CA LEU A 29 25.058 -22.376 -10.362 1.00 0.00 C ATOM 400 C LEU A 29 24.220 -23.619 -10.642 1.00 0.00 C ATOM 401 O LEU A 29 23.609 -23.740 -11.703 1.00 0.00 O ATOM 402 CB LEU A 29 24.417 -21.555 -9.242 1.00 0.00 C ATOM 403 CG LEU A 29 24.975 -20.146 -9.037 1.00 0.00 C ATOM 404 CD1 LEU A 29 23.875 -19.195 -8.591 1.00 0.00 C ATOM 405 CD2 LEU A 29 26.110 -20.165 -8.023 1.00 0.00 C ATOM 0 H LEU A 29 24.326 -21.371 -12.052 1.00 0.00 H new ATOM 0 HA LEU A 29 26.052 -22.695 -10.047 1.00 0.00 H new ATOM 0 HB2 LEU A 29 23.349 -21.475 -9.443 1.00 0.00 H new ATOM 0 HB3 LEU A 29 24.525 -22.106 -8.308 1.00 0.00 H new ATOM 0 HG LEU A 29 25.370 -19.790 -9.989 1.00 0.00 H new ATOM 0 HD11 LEU A 29 24.291 -18.198 -8.450 1.00 0.00 H new ATOM 0 HD12 LEU A 29 23.095 -19.159 -9.351 1.00 0.00 H new ATOM 0 HD13 LEU A 29 23.449 -19.546 -7.651 1.00 0.00 H new ATOM 0 HD21 LEU A 29 26.495 -19.154 -7.889 1.00 0.00 H new ATOM 0 HD22 LEU A 29 25.740 -20.541 -7.069 1.00 0.00 H new ATOM 0 HD23 LEU A 29 26.909 -20.813 -8.383 1.00 0.00 H new ATOM 417 N GLU A 30 24.195 -24.538 -9.682 1.00 0.00 N ATOM 418 CA GLU A 30 23.429 -25.771 -9.825 1.00 0.00 C ATOM 419 C GLU A 30 22.852 -26.212 -8.484 1.00 0.00 C ATOM 420 O GLU A 30 23.451 -25.985 -7.433 1.00 0.00 O ATOM 421 CB GLU A 30 24.311 -26.880 -10.403 1.00 0.00 C ATOM 422 CG GLU A 30 24.207 -27.016 -11.912 1.00 0.00 C ATOM 423 CD GLU A 30 24.420 -28.441 -12.385 1.00 0.00 C ATOM 424 OE1 GLU A 30 23.839 -29.363 -11.776 1.00 0.00 O ATOM 425 OE2 GLU A 30 25.169 -28.634 -13.366 1.00 0.00 O ATOM 0 H GLU A 30 24.696 -24.452 -8.798 1.00 0.00 H new ATOM 0 HA GLU A 30 22.603 -25.579 -10.510 1.00 0.00 H new ATOM 0 HB2 GLU A 30 25.349 -26.684 -10.135 1.00 0.00 H new ATOM 0 HB3 GLU A 30 24.037 -27.829 -9.941 1.00 0.00 H new ATOM 0 HG2 GLU A 30 23.225 -26.672 -12.237 1.00 0.00 H new ATOM 0 HG3 GLU A 30 24.945 -26.367 -12.383 1.00 0.00 H new ATOM 432 N TRP A 31 21.684 -26.842 -8.528 1.00 0.00 N ATOM 433 CA TRP A 31 21.024 -27.315 -7.316 1.00 0.00 C ATOM 434 C TRP A 31 21.446 -28.743 -6.988 1.00 0.00 C ATOM 435 O TRP A 31 20.965 -29.697 -7.599 1.00 0.00 O ATOM 436 CB TRP A 31 19.504 -27.243 -7.478 1.00 0.00 C ATOM 437 CG TRP A 31 18.918 -25.943 -7.016 1.00 0.00 C ATOM 438 CD1 TRP A 31 18.119 -25.103 -7.737 1.00 0.00 C ATOM 439 CD2 TRP A 31 19.088 -25.335 -5.732 1.00 0.00 C ATOM 440 NE1 TRP A 31 17.781 -24.009 -6.978 1.00 0.00 N ATOM 441 CE2 TRP A 31 18.363 -24.127 -5.743 1.00 0.00 C ATOM 442 CE3 TRP A 31 19.781 -25.693 -4.572 1.00 0.00 C ATOM 443 CZ2 TRP A 31 18.313 -23.279 -4.641 1.00 0.00 C ATOM 444 CZ3 TRP A 31 19.730 -24.849 -3.478 1.00 0.00 C ATOM 445 CH2 TRP A 31 19.000 -23.654 -3.519 1.00 0.00 C ATOM 0 H TRP A 31 21.174 -27.037 -9.390 1.00 0.00 H new ATOM 0 HA TRP A 31 21.326 -26.669 -6.492 1.00 0.00 H new ATOM 0 HB2 TRP A 31 19.250 -27.395 -8.527 1.00 0.00 H new ATOM 0 HB3 TRP A 31 19.047 -28.059 -6.918 1.00 0.00 H new ATOM 0 HD1 TRP A 31 17.800 -25.274 -8.755 1.00 0.00 H new ATOM 0 HE1 TRP A 31 17.192 -23.234 -7.284 1.00 0.00 H new ATOM 0 HE3 TRP A 31 20.346 -26.612 -4.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 17.751 -22.357 -4.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 20.262 -25.115 -2.577 1.00 0.00 H new ATOM 0 HH2 TRP A 31 18.979 -23.016 -2.648 1.00 0.00 H new ATOM 456 N GLU A 32 22.347 -28.881 -6.020 1.00 0.00 N ATOM 457 CA GLU A 32 22.833 -30.194 -5.612 1.00 0.00 C ATOM 458 C GLU A 32 21.822 -30.891 -4.706 1.00 0.00 C ATOM 459 O GLU A 32 21.709 -32.117 -4.711 1.00 0.00 O ATOM 460 CB GLU A 32 24.176 -30.064 -4.892 1.00 0.00 C ATOM 461 CG GLU A 32 25.373 -30.385 -5.772 1.00 0.00 C ATOM 462 CD GLU A 32 25.699 -31.865 -5.796 1.00 0.00 C ATOM 463 OE1 GLU A 32 24.754 -32.682 -5.799 1.00 0.00 O ATOM 464 OE2 GLU A 32 26.900 -32.207 -5.812 1.00 0.00 O ATOM 0 H GLU A 32 22.755 -28.101 -5.505 1.00 0.00 H new ATOM 0 HA GLU A 32 22.967 -30.798 -6.509 1.00 0.00 H new ATOM 0 HB2 GLU A 32 24.278 -29.048 -4.512 1.00 0.00 H new ATOM 0 HB3 GLU A 32 24.182 -30.729 -4.029 1.00 0.00 H new ATOM 0 HG2 GLU A 32 25.174 -30.044 -6.788 1.00 0.00 H new ATOM 0 HG3 GLU A 32 26.241 -29.831 -5.414 1.00 0.00 H new ATOM 471 N ASP A 33 21.091 -30.100 -3.928 1.00 0.00 N ATOM 472 CA ASP A 33 20.090 -30.640 -3.015 1.00 0.00 C ATOM 473 C ASP A 33 19.182 -29.533 -2.489 1.00 0.00 C ATOM 474 O ASP A 33 19.472 -28.913 -1.466 1.00 0.00 O ATOM 475 CB ASP A 33 20.767 -31.359 -1.848 1.00 0.00 C ATOM 476 CG ASP A 33 20.609 -32.865 -1.926 1.00 0.00 C ATOM 477 OD1 ASP A 33 19.473 -33.353 -1.744 1.00 0.00 O ATOM 478 OD2 ASP A 33 21.620 -33.556 -2.169 1.00 0.00 O ATOM 0 H ASP A 33 21.173 -29.083 -3.911 1.00 0.00 H new ATOM 0 HA ASP A 33 19.480 -31.355 -3.566 1.00 0.00 H new ATOM 0 HB2 ASP A 33 21.828 -31.108 -1.836 1.00 0.00 H new ATOM 0 HB3 ASP A 33 20.344 -31.000 -0.910 1.00 0.00 H new ATOM 483 N ARG A 34 18.083 -29.290 -3.195 1.00 0.00 N ATOM 484 CA ARG A 34 17.134 -28.256 -2.801 1.00 0.00 C ATOM 485 C ARG A 34 16.731 -28.418 -1.338 1.00 0.00 C ATOM 486 O ARG A 34 16.503 -27.433 -0.635 1.00 0.00 O ATOM 487 CB ARG A 34 15.891 -28.308 -3.691 1.00 0.00 C ATOM 488 CG ARG A 34 15.307 -26.939 -4.002 1.00 0.00 C ATOM 489 CD ARG A 34 16.158 -26.188 -5.014 1.00 0.00 C ATOM 490 NE ARG A 34 15.479 -25.000 -5.525 1.00 0.00 N ATOM 491 CZ ARG A 34 14.600 -25.026 -6.520 1.00 0.00 C ATOM 492 NH1 ARG A 34 14.294 -26.175 -7.108 1.00 0.00 N ATOM 493 NH2 ARG A 34 14.024 -23.903 -6.929 1.00 0.00 N ATOM 0 H ARG A 34 17.828 -29.795 -4.043 1.00 0.00 H new ATOM 0 HA ARG A 34 17.619 -27.288 -2.922 1.00 0.00 H new ATOM 0 HB2 ARG A 34 16.145 -28.806 -4.627 1.00 0.00 H new ATOM 0 HB3 ARG A 34 15.130 -28.916 -3.202 1.00 0.00 H new ATOM 0 HG2 ARG A 34 14.295 -27.053 -4.390 1.00 0.00 H new ATOM 0 HG3 ARG A 34 15.233 -26.357 -3.084 1.00 0.00 H new ATOM 0 HD2 ARG A 34 17.100 -25.896 -4.550 1.00 0.00 H new ATOM 0 HD3 ARG A 34 16.404 -26.850 -5.844 1.00 0.00 H new ATOM 0 HE ARG A 34 15.692 -24.101 -5.094 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.734 -27.041 -6.796 1.00 0.00 H new ATOM 0 HH12 ARG A 34 13.619 -26.193 -7.872 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.256 -23.018 -6.479 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.349 -23.925 -7.693 1.00 0.00 H new ATOM 507 N GLU A 35 16.647 -29.665 -0.887 1.00 0.00 N ATOM 508 CA GLU A 35 16.270 -29.955 0.492 1.00 0.00 C ATOM 509 C GLU A 35 17.355 -29.492 1.461 1.00 0.00 C ATOM 510 O GLU A 35 17.067 -28.847 2.468 1.00 0.00 O ATOM 511 CB GLU A 35 16.016 -31.453 0.671 1.00 0.00 C ATOM 512 CG GLU A 35 17.259 -32.307 0.484 1.00 0.00 C ATOM 513 CD GLU A 35 16.930 -33.743 0.124 1.00 0.00 C ATOM 514 OE1 GLU A 35 16.501 -34.497 1.023 1.00 0.00 O ATOM 515 OE2 GLU A 35 17.102 -34.113 -1.056 1.00 0.00 O ATOM 0 H GLU A 35 16.835 -30.491 -1.456 1.00 0.00 H new ATOM 0 HA GLU A 35 15.352 -29.410 0.713 1.00 0.00 H new ATOM 0 HB2 GLU A 35 15.612 -31.628 1.668 1.00 0.00 H new ATOM 0 HB3 GLU A 35 15.256 -31.772 -0.042 1.00 0.00 H new ATOM 0 HG2 GLU A 35 17.879 -31.873 -0.300 1.00 0.00 H new ATOM 0 HG3 GLU A 35 17.847 -32.292 1.401 1.00 0.00 H new ATOM 522 N GLN A 36 18.602 -29.828 1.147 1.00 0.00 N ATOM 523 CA GLN A 36 19.730 -29.448 1.990 1.00 0.00 C ATOM 524 C GLN A 36 20.214 -28.042 1.651 1.00 0.00 C ATOM 525 O GLN A 36 21.114 -27.511 2.301 1.00 0.00 O ATOM 526 CB GLN A 36 20.876 -30.448 1.826 1.00 0.00 C ATOM 527 CG GLN A 36 20.474 -31.886 2.110 1.00 0.00 C ATOM 528 CD GLN A 36 21.663 -32.775 2.415 1.00 0.00 C ATOM 529 OE1 GLN A 36 22.073 -33.590 1.587 1.00 0.00 O ATOM 530 NE2 GLN A 36 22.225 -32.624 3.608 1.00 0.00 N ATOM 0 H GLN A 36 18.857 -30.362 0.316 1.00 0.00 H new ATOM 0 HA GLN A 36 19.395 -29.457 3.027 1.00 0.00 H new ATOM 0 HB2 GLN A 36 21.262 -30.382 0.809 1.00 0.00 H new ATOM 0 HB3 GLN A 36 21.690 -30.168 2.495 1.00 0.00 H new ATOM 0 HG2 GLN A 36 19.784 -31.906 2.954 1.00 0.00 H new ATOM 0 HG3 GLN A 36 19.937 -32.286 1.250 1.00 0.00 H new ATOM 0 HE21 GLN A 36 21.853 -31.937 4.264 1.00 0.00 H new ATOM 0 HE22 GLN A 36 23.029 -33.195 3.869 1.00 0.00 H new ATOM 539 N GLY A 37 19.610 -27.444 0.629 1.00 0.00 N ATOM 540 CA GLY A 37 19.993 -26.105 0.222 1.00 0.00 C ATOM 541 C GLY A 37 21.425 -26.036 -0.272 1.00 0.00 C ATOM 542 O GLY A 37 22.051 -24.977 -0.234 1.00 0.00 O ATOM 0 H GLY A 37 18.862 -27.863 0.076 1.00 0.00 H new ATOM 0 HA2 GLY A 37 19.323 -25.763 -0.567 1.00 0.00 H new ATOM 0 HA3 GLY A 37 19.869 -25.423 1.064 1.00 0.00 H new ATOM 546 N ILE A 38 21.945 -27.168 -0.733 1.00 0.00 N ATOM 547 CA ILE A 38 23.312 -27.232 -1.235 1.00 0.00 C ATOM 548 C ILE A 38 23.366 -26.913 -2.725 1.00 0.00 C ATOM 549 O ILE A 38 22.676 -27.539 -3.530 1.00 0.00 O ATOM 550 CB ILE A 38 23.935 -28.620 -0.995 1.00 0.00 C ATOM 551 CG1 ILE A 38 23.926 -28.957 0.497 1.00 0.00 C ATOM 552 CG2 ILE A 38 25.353 -28.665 -1.545 1.00 0.00 C ATOM 553 CD1 ILE A 38 24.132 -30.427 0.786 1.00 0.00 C ATOM 0 H ILE A 38 21.440 -28.054 -0.769 1.00 0.00 H new ATOM 0 HA ILE A 38 23.886 -26.486 -0.686 1.00 0.00 H new ATOM 0 HB ILE A 38 23.338 -29.366 -1.520 1.00 0.00 H new ATOM 0 HG12 ILE A 38 24.708 -28.384 0.995 1.00 0.00 H new ATOM 0 HG13 ILE A 38 22.976 -28.640 0.927 1.00 0.00 H new ATOM 0 HG21 ILE A 38 25.781 -29.652 -1.368 1.00 0.00 H new ATOM 0 HG22 ILE A 38 25.334 -28.464 -2.616 1.00 0.00 H new ATOM 0 HG23 ILE A 38 25.961 -27.911 -1.045 1.00 0.00 H new ATOM 0 HD11 ILE A 38 24.114 -30.592 1.863 1.00 0.00 H new ATOM 0 HD12 ILE A 38 23.336 -31.005 0.317 1.00 0.00 H new ATOM 0 HD13 ILE A 38 25.095 -30.745 0.386 1.00 0.00 H new ATOM 565 N PHE A 39 24.191 -25.936 -3.086 1.00 0.00 N ATOM 566 CA PHE A 39 24.337 -25.535 -4.481 1.00 0.00 C ATOM 567 C PHE A 39 25.806 -25.514 -4.890 1.00 0.00 C ATOM 568 O PHE A 39 26.697 -25.451 -4.043 1.00 0.00 O ATOM 569 CB PHE A 39 23.714 -24.155 -4.703 1.00 0.00 C ATOM 570 CG PHE A 39 24.364 -23.067 -3.898 1.00 0.00 C ATOM 571 CD1 PHE A 39 24.175 -22.993 -2.528 1.00 0.00 C ATOM 572 CD2 PHE A 39 25.164 -22.116 -4.512 1.00 0.00 C ATOM 573 CE1 PHE A 39 24.772 -21.993 -1.783 1.00 0.00 C ATOM 574 CE2 PHE A 39 25.764 -21.114 -3.773 1.00 0.00 C ATOM 575 CZ PHE A 39 25.567 -21.052 -2.407 1.00 0.00 C ATOM 0 H PHE A 39 24.769 -25.407 -2.432 1.00 0.00 H new ATOM 0 HA PHE A 39 23.817 -26.266 -5.100 1.00 0.00 H new ATOM 0 HB2 PHE A 39 23.780 -23.902 -5.761 1.00 0.00 H new ATOM 0 HB3 PHE A 39 22.654 -24.199 -4.451 1.00 0.00 H new ATOM 0 HD1 PHE A 39 23.553 -23.726 -2.035 1.00 0.00 H new ATOM 0 HD2 PHE A 39 25.320 -22.159 -5.580 1.00 0.00 H new ATOM 0 HE1 PHE A 39 24.617 -21.948 -0.715 1.00 0.00 H new ATOM 0 HE2 PHE A 39 26.386 -20.380 -4.263 1.00 0.00 H new ATOM 0 HZ PHE A 39 26.034 -20.269 -1.828 1.00 0.00 H new ATOM 585 N ARG A 40 26.052 -25.567 -6.195 1.00 0.00 N ATOM 586 CA ARG A 40 27.413 -25.556 -6.718 1.00 0.00 C ATOM 587 C ARG A 40 27.618 -24.385 -7.674 1.00 0.00 C ATOM 588 O ARG A 40 26.670 -23.897 -8.288 1.00 0.00 O ATOM 589 CB ARG A 40 27.717 -26.873 -7.435 1.00 0.00 C ATOM 590 CG ARG A 40 28.858 -26.773 -8.434 1.00 0.00 C ATOM 591 CD ARG A 40 28.977 -28.037 -9.272 1.00 0.00 C ATOM 592 NE ARG A 40 29.396 -27.749 -10.641 1.00 0.00 N ATOM 593 CZ ARG A 40 29.456 -28.666 -11.599 1.00 0.00 C ATOM 594 NH1 ARG A 40 29.126 -29.924 -11.339 1.00 0.00 N ATOM 595 NH2 ARG A 40 29.846 -28.327 -12.821 1.00 0.00 N ATOM 0 H ARG A 40 25.326 -25.618 -6.910 1.00 0.00 H new ATOM 0 HA ARG A 40 28.098 -25.441 -5.878 1.00 0.00 H new ATOM 0 HB2 ARG A 40 27.961 -27.633 -6.693 1.00 0.00 H new ATOM 0 HB3 ARG A 40 26.820 -27.210 -7.954 1.00 0.00 H new ATOM 0 HG2 ARG A 40 28.697 -25.916 -9.088 1.00 0.00 H new ATOM 0 HG3 ARG A 40 29.794 -26.598 -7.903 1.00 0.00 H new ATOM 0 HD2 ARG A 40 29.695 -28.713 -8.808 1.00 0.00 H new ATOM 0 HD3 ARG A 40 28.017 -28.553 -9.288 1.00 0.00 H new ATOM 0 HE ARG A 40 29.657 -26.791 -10.874 1.00 0.00 H new ATOM 0 HH11 ARG A 40 28.825 -30.189 -10.401 1.00 0.00 H new ATOM 0 HH12 ARG A 40 29.173 -30.627 -12.077 1.00 0.00 H new ATOM 0 HH21 ARG A 40 30.100 -27.361 -13.025 1.00 0.00 H new ATOM 0 HH22 ARG A 40 29.892 -29.033 -13.556 1.00 0.00 H new ATOM 609 N VAL A 41 28.864 -23.938 -7.794 1.00 0.00 N ATOM 610 CA VAL A 41 29.195 -22.824 -8.675 1.00 0.00 C ATOM 611 C VAL A 41 29.842 -23.317 -9.965 1.00 0.00 C ATOM 612 O VAL A 41 31.066 -23.379 -10.074 1.00 0.00 O ATOM 613 CB VAL A 41 30.146 -21.827 -7.987 1.00 0.00 C ATOM 614 CG1 VAL A 41 30.574 -20.739 -8.959 1.00 0.00 C ATOM 615 CG2 VAL A 41 29.484 -21.224 -6.757 1.00 0.00 C ATOM 0 H VAL A 41 29.661 -24.330 -7.292 1.00 0.00 H new ATOM 0 HA VAL A 41 28.258 -22.319 -8.911 1.00 0.00 H new ATOM 0 HB VAL A 41 31.038 -22.364 -7.666 1.00 0.00 H new ATOM 0 HG11 VAL A 41 31.246 -20.044 -8.455 1.00 0.00 H new ATOM 0 HG12 VAL A 41 31.089 -21.191 -9.807 1.00 0.00 H new ATOM 0 HG13 VAL A 41 29.695 -20.201 -9.313 1.00 0.00 H new ATOM 0 HG21 VAL A 41 30.169 -20.522 -6.282 1.00 0.00 H new ATOM 0 HG22 VAL A 41 28.575 -20.700 -7.053 1.00 0.00 H new ATOM 0 HG23 VAL A 41 29.233 -22.017 -6.053 1.00 0.00 H new ATOM 625 N VAL A 42 29.010 -23.667 -10.941 1.00 0.00 N ATOM 626 CA VAL A 42 29.500 -24.154 -12.225 1.00 0.00 C ATOM 627 C VAL A 42 30.470 -23.161 -12.856 1.00 0.00 C ATOM 628 O VAL A 42 31.471 -23.550 -13.457 1.00 0.00 O ATOM 629 CB VAL A 42 28.341 -24.415 -13.206 1.00 0.00 C ATOM 630 CG1 VAL A 42 28.863 -25.012 -14.503 1.00 0.00 C ATOM 631 CG2 VAL A 42 27.302 -25.327 -12.570 1.00 0.00 C ATOM 0 H VAL A 42 27.994 -23.622 -10.867 1.00 0.00 H new ATOM 0 HA VAL A 42 30.020 -25.092 -12.030 1.00 0.00 H new ATOM 0 HB VAL A 42 27.863 -23.463 -13.439 1.00 0.00 H new ATOM 0 HG11 VAL A 42 28.030 -25.189 -15.183 1.00 0.00 H new ATOM 0 HG12 VAL A 42 29.567 -24.320 -14.965 1.00 0.00 H new ATOM 0 HG13 VAL A 42 29.367 -25.955 -14.292 1.00 0.00 H new ATOM 0 HG21 VAL A 42 26.490 -25.501 -13.276 1.00 0.00 H new ATOM 0 HG22 VAL A 42 27.765 -26.278 -12.307 1.00 0.00 H new ATOM 0 HG23 VAL A 42 26.906 -24.856 -11.671 1.00 0.00 H new ATOM 641 N LYS A 43 30.166 -21.875 -12.714 1.00 0.00 N ATOM 642 CA LYS A 43 31.012 -20.824 -13.267 1.00 0.00 C ATOM 643 C LYS A 43 31.558 -19.926 -12.161 1.00 0.00 C ATOM 644 O LYS A 43 30.807 -19.196 -11.514 1.00 0.00 O ATOM 645 CB LYS A 43 30.223 -19.985 -14.276 1.00 0.00 C ATOM 646 CG LYS A 43 29.799 -20.761 -15.511 1.00 0.00 C ATOM 647 CD LYS A 43 28.815 -19.969 -16.356 1.00 0.00 C ATOM 648 CE LYS A 43 28.375 -20.754 -17.582 1.00 0.00 C ATOM 649 NZ LYS A 43 29.193 -20.416 -18.780 1.00 0.00 N ATOM 0 H LYS A 43 29.340 -21.536 -12.221 1.00 0.00 H new ATOM 0 HA LYS A 43 31.852 -21.298 -13.774 1.00 0.00 H new ATOM 0 HB2 LYS A 43 29.336 -19.583 -13.787 1.00 0.00 H new ATOM 0 HB3 LYS A 43 30.831 -19.134 -14.583 1.00 0.00 H new ATOM 0 HG2 LYS A 43 30.678 -21.006 -16.108 1.00 0.00 H new ATOM 0 HG3 LYS A 43 29.345 -21.705 -15.211 1.00 0.00 H new ATOM 0 HD2 LYS A 43 27.943 -19.712 -15.755 1.00 0.00 H new ATOM 0 HD3 LYS A 43 29.275 -19.031 -16.669 1.00 0.00 H new ATOM 0 HE2 LYS A 43 28.454 -21.822 -17.377 1.00 0.00 H new ATOM 0 HE3 LYS A 43 27.325 -20.546 -17.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 28.862 -20.972 -19.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 29.097 -19.402 -18.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 30.192 -20.638 -18.592 1.00 0.00 H new ATOM 663 N SER A 44 32.869 -19.985 -11.951 1.00 0.00 N ATOM 664 CA SER A 44 33.515 -19.179 -10.922 1.00 0.00 C ATOM 665 C SER A 44 33.925 -17.818 -11.475 1.00 0.00 C ATOM 666 O SER A 44 34.141 -16.869 -10.722 1.00 0.00 O ATOM 667 CB SER A 44 34.741 -19.907 -10.368 1.00 0.00 C ATOM 668 OG SER A 44 35.759 -20.009 -11.349 1.00 0.00 O ATOM 0 H SER A 44 33.505 -20.582 -12.480 1.00 0.00 H new ATOM 0 HA SER A 44 32.799 -19.023 -10.115 1.00 0.00 H new ATOM 0 HB2 SER A 44 35.122 -19.373 -9.497 1.00 0.00 H new ATOM 0 HB3 SER A 44 34.455 -20.903 -10.031 1.00 0.00 H new ATOM 0 HG SER A 44 36.533 -20.477 -10.970 1.00 0.00 H new ATOM 674 N GLU A 45 34.030 -17.731 -12.798 1.00 0.00 N ATOM 675 CA GLU A 45 34.415 -16.486 -13.453 1.00 0.00 C ATOM 676 C GLU A 45 33.186 -15.646 -13.788 1.00 0.00 C ATOM 677 O GLU A 45 33.254 -14.418 -13.833 1.00 0.00 O ATOM 678 CB GLU A 45 35.210 -16.779 -14.727 1.00 0.00 C ATOM 679 CG GLU A 45 34.564 -17.824 -15.620 1.00 0.00 C ATOM 680 CD GLU A 45 34.614 -17.448 -17.088 1.00 0.00 C ATOM 681 OE1 GLU A 45 35.687 -17.611 -17.706 1.00 0.00 O ATOM 682 OE2 GLU A 45 33.580 -16.991 -17.620 1.00 0.00 O ATOM 0 H GLU A 45 33.854 -18.507 -13.436 1.00 0.00 H new ATOM 0 HA GLU A 45 35.043 -15.921 -12.764 1.00 0.00 H new ATOM 0 HB2 GLU A 45 35.329 -15.854 -15.292 1.00 0.00 H new ATOM 0 HB3 GLU A 45 36.210 -17.116 -14.452 1.00 0.00 H new ATOM 0 HG2 GLU A 45 35.067 -18.780 -15.476 1.00 0.00 H new ATOM 0 HG3 GLU A 45 33.525 -17.962 -15.319 1.00 0.00 H new ATOM 689 N ALA A 46 32.064 -16.317 -14.025 1.00 0.00 N ATOM 690 CA ALA A 46 30.820 -15.633 -14.355 1.00 0.00 C ATOM 691 C ALA A 46 30.113 -15.140 -13.097 1.00 0.00 C ATOM 692 O ALA A 46 29.442 -14.107 -13.113 1.00 0.00 O ATOM 693 CB ALA A 46 29.906 -16.555 -15.150 1.00 0.00 C ATOM 0 H ALA A 46 31.991 -17.334 -13.995 1.00 0.00 H new ATOM 0 HA ALA A 46 31.063 -14.764 -14.967 1.00 0.00 H new ATOM 0 HB1 ALA A 46 28.981 -16.032 -15.390 1.00 0.00 H new ATOM 0 HB2 ALA A 46 30.404 -16.853 -16.073 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.679 -17.441 -14.557 1.00 0.00 H new ATOM 699 N LEU A 47 30.266 -15.885 -12.008 1.00 0.00 N ATOM 700 CA LEU A 47 29.642 -15.525 -10.740 1.00 0.00 C ATOM 701 C LEU A 47 30.146 -14.171 -10.250 1.00 0.00 C ATOM 702 O LEU A 47 29.357 -13.290 -9.909 1.00 0.00 O ATOM 703 CB LEU A 47 29.923 -16.598 -9.687 1.00 0.00 C ATOM 704 CG LEU A 47 29.598 -16.221 -8.241 1.00 0.00 C ATOM 705 CD1 LEU A 47 28.104 -15.994 -8.071 1.00 0.00 C ATOM 706 CD2 LEU A 47 30.088 -17.299 -7.285 1.00 0.00 C ATOM 0 H LEU A 47 30.817 -16.743 -11.978 1.00 0.00 H new ATOM 0 HA LEU A 47 28.566 -15.455 -10.900 1.00 0.00 H new ATOM 0 HB2 LEU A 47 29.353 -17.490 -9.946 1.00 0.00 H new ATOM 0 HB3 LEU A 47 30.978 -16.866 -9.743 1.00 0.00 H new ATOM 0 HG LEU A 47 30.115 -15.291 -8.004 1.00 0.00 H new ATOM 0 HD11 LEU A 47 27.892 -15.727 -7.036 1.00 0.00 H new ATOM 0 HD12 LEU A 47 27.782 -15.186 -8.728 1.00 0.00 H new ATOM 0 HD13 LEU A 47 27.566 -16.906 -8.328 1.00 0.00 H new ATOM 0 HD21 LEU A 47 29.848 -17.013 -6.261 1.00 0.00 H new ATOM 0 HD22 LEU A 47 29.600 -18.245 -7.522 1.00 0.00 H new ATOM 0 HD23 LEU A 47 31.167 -17.412 -7.387 1.00 0.00 H new ATOM 718 N ALA A 48 31.465 -14.012 -10.221 1.00 0.00 N ATOM 719 CA ALA A 48 32.075 -12.765 -9.777 1.00 0.00 C ATOM 720 C ALA A 48 31.716 -11.615 -10.713 1.00 0.00 C ATOM 721 O ALA A 48 31.337 -10.532 -10.267 1.00 0.00 O ATOM 722 CB ALA A 48 33.585 -12.920 -9.683 1.00 0.00 C ATOM 0 H ALA A 48 32.132 -14.732 -10.500 1.00 0.00 H new ATOM 0 HA ALA A 48 31.683 -12.530 -8.787 1.00 0.00 H new ATOM 0 HB1 ALA A 48 34.027 -11.981 -9.350 1.00 0.00 H new ATOM 0 HB2 ALA A 48 33.826 -13.708 -8.969 1.00 0.00 H new ATOM 0 HB3 ALA A 48 33.985 -13.183 -10.662 1.00 0.00 H new ATOM 728 N LYS A 49 31.840 -11.858 -12.014 1.00 0.00 N ATOM 729 CA LYS A 49 31.529 -10.844 -13.014 1.00 0.00 C ATOM 730 C LYS A 49 30.127 -10.281 -12.801 1.00 0.00 C ATOM 731 O LYS A 49 29.935 -9.066 -12.767 1.00 0.00 O ATOM 732 CB LYS A 49 31.644 -11.434 -14.422 1.00 0.00 C ATOM 733 CG LYS A 49 33.042 -11.341 -15.008 1.00 0.00 C ATOM 734 CD LYS A 49 33.187 -12.209 -16.246 1.00 0.00 C ATOM 735 CE LYS A 49 34.498 -11.938 -16.967 1.00 0.00 C ATOM 736 NZ LYS A 49 35.669 -12.444 -16.198 1.00 0.00 N ATOM 0 H LYS A 49 32.154 -12.749 -12.400 1.00 0.00 H new ATOM 0 HA LYS A 49 32.248 -10.032 -12.907 1.00 0.00 H new ATOM 0 HB2 LYS A 49 31.340 -12.480 -14.394 1.00 0.00 H new ATOM 0 HB3 LYS A 49 30.947 -10.917 -15.082 1.00 0.00 H new ATOM 0 HG2 LYS A 49 33.263 -10.304 -15.262 1.00 0.00 H new ATOM 0 HG3 LYS A 49 33.772 -11.648 -14.260 1.00 0.00 H new ATOM 0 HD2 LYS A 49 33.137 -13.260 -15.962 1.00 0.00 H new ATOM 0 HD3 LYS A 49 32.353 -12.022 -16.923 1.00 0.00 H new ATOM 0 HE2 LYS A 49 34.477 -12.411 -17.949 1.00 0.00 H new ATOM 0 HE3 LYS A 49 34.607 -10.866 -17.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 36.543 -12.240 -16.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 35.704 -11.975 -15.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 35.578 -13.471 -16.063 1.00 0.00 H new ATOM 750 N MET A 50 29.152 -11.172 -12.656 1.00 0.00 N ATOM 751 CA MET A 50 27.769 -10.763 -12.443 1.00 0.00 C ATOM 752 C MET A 50 27.635 -9.943 -11.163 1.00 0.00 C ATOM 753 O MET A 50 26.979 -8.901 -11.149 1.00 0.00 O ATOM 754 CB MET A 50 26.857 -11.989 -12.374 1.00 0.00 C ATOM 755 CG MET A 50 26.327 -12.429 -13.729 1.00 0.00 C ATOM 756 SD MET A 50 24.641 -11.866 -14.031 1.00 0.00 S ATOM 757 CE MET A 50 23.751 -12.763 -12.761 1.00 0.00 C ATOM 0 H MET A 50 29.294 -12.182 -12.682 1.00 0.00 H new ATOM 0 HA MET A 50 27.467 -10.141 -13.286 1.00 0.00 H new ATOM 0 HB2 MET A 50 27.406 -12.815 -11.922 1.00 0.00 H new ATOM 0 HB3 MET A 50 26.015 -11.769 -11.718 1.00 0.00 H new ATOM 0 HG2 MET A 50 26.980 -12.045 -14.513 1.00 0.00 H new ATOM 0 HG3 MET A 50 26.360 -13.517 -13.792 1.00 0.00 H new ATOM 0 HE1 MET A 50 22.994 -13.395 -13.225 1.00 0.00 H new ATOM 0 HE2 MET A 50 24.448 -13.385 -12.199 1.00 0.00 H new ATOM 0 HE3 MET A 50 23.269 -12.056 -12.086 1.00 0.00 H new ATOM 767 N TRP A 51 28.261 -10.419 -10.093 1.00 0.00 N ATOM 768 CA TRP A 51 28.211 -9.730 -8.809 1.00 0.00 C ATOM 769 C TRP A 51 28.750 -8.309 -8.933 1.00 0.00 C ATOM 770 O TRP A 51 28.075 -7.345 -8.574 1.00 0.00 O ATOM 771 CB TRP A 51 29.012 -10.503 -7.760 1.00 0.00 C ATOM 772 CG TRP A 51 29.006 -9.852 -6.410 1.00 0.00 C ATOM 773 CD1 TRP A 51 30.093 -9.558 -5.637 1.00 0.00 C ATOM 774 CD2 TRP A 51 27.858 -9.418 -5.673 1.00 0.00 C ATOM 775 NE1 TRP A 51 29.689 -8.967 -4.464 1.00 0.00 N ATOM 776 CE2 TRP A 51 28.323 -8.869 -4.462 1.00 0.00 C ATOM 777 CE3 TRP A 51 26.482 -9.438 -5.918 1.00 0.00 C ATOM 778 CZ2 TRP A 51 27.460 -8.347 -3.502 1.00 0.00 C ATOM 779 CZ3 TRP A 51 25.627 -8.920 -4.964 1.00 0.00 C ATOM 780 CH2 TRP A 51 26.119 -8.379 -3.769 1.00 0.00 C ATOM 0 H TRP A 51 28.809 -11.279 -10.089 1.00 0.00 H new ATOM 0 HA TRP A 51 27.169 -9.677 -8.493 1.00 0.00 H new ATOM 0 HB2 TRP A 51 28.605 -11.510 -7.672 1.00 0.00 H new ATOM 0 HB3 TRP A 51 30.042 -10.605 -8.102 1.00 0.00 H new ATOM 0 HD1 TRP A 51 31.119 -9.760 -5.908 1.00 0.00 H new ATOM 0 HE1 TRP A 51 30.307 -8.652 -3.716 1.00 0.00 H new ATOM 0 HE3 TRP A 51 26.094 -9.851 -6.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 27.836 -7.931 -2.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 24.562 -8.932 -5.143 1.00 0.00 H new ATOM 0 HH2 TRP A 51 25.425 -7.979 -3.044 1.00 0.00 H new ATOM 791 N GLY A 52 29.972 -8.186 -9.443 1.00 0.00 N ATOM 792 CA GLY A 52 30.580 -6.879 -9.605 1.00 0.00 C ATOM 793 C GLY A 52 29.615 -5.856 -10.172 1.00 0.00 C ATOM 794 O GLY A 52 29.577 -4.713 -9.719 1.00 0.00 O ATOM 0 H GLY A 52 30.551 -8.969 -9.747 1.00 0.00 H new ATOM 0 HA2 GLY A 52 30.948 -6.531 -8.640 1.00 0.00 H new ATOM 0 HA3 GLY A 52 31.444 -6.963 -10.264 1.00 0.00 H new ATOM 798 N GLN A 53 28.835 -6.269 -11.165 1.00 0.00 N ATOM 799 CA GLN A 53 27.867 -5.379 -11.796 1.00 0.00 C ATOM 800 C GLN A 53 26.952 -4.744 -10.754 1.00 0.00 C ATOM 801 O GLN A 53 26.642 -3.555 -10.828 1.00 0.00 O ATOM 802 CB GLN A 53 27.034 -6.144 -12.825 1.00 0.00 C ATOM 803 CG GLN A 53 27.735 -6.324 -14.162 1.00 0.00 C ATOM 804 CD GLN A 53 26.894 -5.850 -15.331 1.00 0.00 C ATOM 805 OE1 GLN A 53 25.690 -5.629 -15.195 1.00 0.00 O ATOM 806 NE2 GLN A 53 27.524 -5.691 -16.488 1.00 0.00 N ATOM 0 H GLN A 53 28.854 -7.213 -11.550 1.00 0.00 H new ATOM 0 HA GLN A 53 28.417 -4.586 -12.302 1.00 0.00 H new ATOM 0 HB2 GLN A 53 26.783 -7.125 -12.421 1.00 0.00 H new ATOM 0 HB3 GLN A 53 26.094 -5.615 -12.985 1.00 0.00 H new ATOM 0 HG2 GLN A 53 28.677 -5.775 -14.151 1.00 0.00 H new ATOM 0 HG3 GLN A 53 27.981 -7.377 -14.300 1.00 0.00 H new ATOM 0 HE21 GLN A 53 28.523 -5.886 -16.556 1.00 0.00 H new ATOM 0 HE22 GLN A 53 27.009 -5.374 -17.310 1.00 0.00 H new ATOM 815 N ARG A 54 26.522 -5.545 -9.784 1.00 0.00 N ATOM 816 CA ARG A 54 25.641 -5.062 -8.728 1.00 0.00 C ATOM 817 C ARG A 54 26.372 -4.079 -7.818 1.00 0.00 C ATOM 818 O ARG A 54 25.779 -3.125 -7.313 1.00 0.00 O ATOM 819 CB ARG A 54 25.105 -6.235 -7.905 1.00 0.00 C ATOM 820 CG ARG A 54 24.869 -7.494 -8.723 1.00 0.00 C ATOM 821 CD ARG A 54 24.080 -7.197 -9.989 1.00 0.00 C ATOM 822 NE ARG A 54 22.695 -6.836 -9.699 1.00 0.00 N ATOM 823 CZ ARG A 54 21.848 -6.378 -10.614 1.00 0.00 C ATOM 824 NH1 ARG A 54 22.243 -6.226 -11.870 1.00 0.00 N ATOM 825 NH2 ARG A 54 20.603 -6.071 -10.273 1.00 0.00 N ATOM 0 H ARG A 54 26.770 -6.532 -9.708 1.00 0.00 H new ATOM 0 HA ARG A 54 24.804 -4.544 -9.196 1.00 0.00 H new ATOM 0 HB2 ARG A 54 25.810 -6.459 -7.104 1.00 0.00 H new ATOM 0 HB3 ARG A 54 24.169 -5.938 -7.432 1.00 0.00 H new ATOM 0 HG2 ARG A 54 25.827 -7.942 -8.987 1.00 0.00 H new ATOM 0 HG3 ARG A 54 24.330 -8.225 -8.120 1.00 0.00 H new ATOM 0 HD2 ARG A 54 24.560 -6.384 -10.533 1.00 0.00 H new ATOM 0 HD3 ARG A 54 24.098 -8.071 -10.641 1.00 0.00 H new ATOM 0 HE ARG A 54 22.360 -6.941 -8.741 1.00 0.00 H new ATOM 0 HH11 ARG A 54 23.199 -6.461 -12.136 1.00 0.00 H new ATOM 0 HH12 ARG A 54 21.591 -5.874 -12.571 1.00 0.00 H new ATOM 0 HH21 ARG A 54 20.295 -6.187 -9.307 1.00 0.00 H new ATOM 0 HH22 ARG A 54 19.953 -5.719 -10.976 1.00 0.00 H new ATOM 839 N LYS A 55 27.662 -4.320 -7.611 1.00 0.00 N ATOM 840 CA LYS A 55 28.475 -3.457 -6.762 1.00 0.00 C ATOM 841 C LYS A 55 29.334 -2.519 -7.604 1.00 0.00 C ATOM 842 O LYS A 55 30.316 -1.956 -7.119 1.00 0.00 O ATOM 843 CB LYS A 55 29.367 -4.301 -5.848 1.00 0.00 C ATOM 844 CG LYS A 55 28.591 -5.209 -4.910 1.00 0.00 C ATOM 845 CD LYS A 55 28.818 -4.833 -3.456 1.00 0.00 C ATOM 846 CE LYS A 55 27.705 -3.939 -2.931 1.00 0.00 C ATOM 847 NZ LYS A 55 28.236 -2.668 -2.364 1.00 0.00 N ATOM 0 H LYS A 55 28.167 -5.106 -8.020 1.00 0.00 H new ATOM 0 HA LYS A 55 27.804 -2.855 -6.149 1.00 0.00 H new ATOM 0 HB2 LYS A 55 30.030 -4.909 -6.463 1.00 0.00 H new ATOM 0 HB3 LYS A 55 29.999 -3.638 -5.258 1.00 0.00 H new ATOM 0 HG2 LYS A 55 27.527 -5.148 -5.141 1.00 0.00 H new ATOM 0 HG3 LYS A 55 28.894 -6.244 -5.071 1.00 0.00 H new ATOM 0 HD2 LYS A 55 28.876 -5.737 -2.850 1.00 0.00 H new ATOM 0 HD3 LYS A 55 29.775 -4.321 -3.357 1.00 0.00 H new ATOM 0 HE2 LYS A 55 27.009 -3.714 -3.739 1.00 0.00 H new ATOM 0 HE3 LYS A 55 27.142 -4.472 -2.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 27.447 -2.086 -2.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 28.881 -2.882 -1.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 28.751 -2.147 -3.102 1.00 0.00 H new ATOM 861 N LYS A 56 28.959 -2.354 -8.868 1.00 0.00 N ATOM 862 CA LYS A 56 29.693 -1.482 -9.777 1.00 0.00 C ATOM 863 C LYS A 56 31.192 -1.552 -9.506 1.00 0.00 C ATOM 864 O LYS A 56 31.907 -0.564 -9.666 1.00 0.00 O ATOM 865 CB LYS A 56 29.205 -0.038 -9.637 1.00 0.00 C ATOM 866 CG LYS A 56 29.754 0.673 -8.413 1.00 0.00 C ATOM 867 CD LYS A 56 30.358 2.020 -8.775 1.00 0.00 C ATOM 868 CE LYS A 56 30.134 3.045 -7.674 1.00 0.00 C ATOM 869 NZ LYS A 56 31.297 3.129 -6.749 1.00 0.00 N ATOM 0 H LYS A 56 28.150 -2.813 -9.286 1.00 0.00 H new ATOM 0 HA LYS A 56 29.510 -1.824 -10.796 1.00 0.00 H new ATOM 0 HB2 LYS A 56 29.488 0.521 -10.529 1.00 0.00 H new ATOM 0 HB3 LYS A 56 28.116 -0.034 -9.591 1.00 0.00 H new ATOM 0 HG2 LYS A 56 28.955 0.815 -7.685 1.00 0.00 H new ATOM 0 HG3 LYS A 56 30.511 0.049 -7.938 1.00 0.00 H new ATOM 0 HD2 LYS A 56 31.427 1.904 -8.954 1.00 0.00 H new ATOM 0 HD3 LYS A 56 29.916 2.380 -9.704 1.00 0.00 H new ATOM 0 HE2 LYS A 56 29.953 4.023 -8.120 1.00 0.00 H new ATOM 0 HE3 LYS A 56 29.239 2.782 -7.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 31.105 3.838 -6.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 31.454 2.202 -6.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 32.146 3.405 -7.283 1.00 0.00 H new ATOM 883 N ASN A 57 31.661 -2.726 -9.097 1.00 0.00 N ATOM 884 CA ASN A 57 33.076 -2.924 -8.805 1.00 0.00 C ATOM 885 C ASN A 57 33.799 -3.529 -10.004 1.00 0.00 C ATOM 886 O ASN A 57 33.838 -4.749 -10.169 1.00 0.00 O ATOM 887 CB ASN A 57 33.244 -3.831 -7.583 1.00 0.00 C ATOM 888 CG ASN A 57 34.665 -3.829 -7.054 1.00 0.00 C ATOM 889 OD1 ASN A 57 35.611 -4.133 -7.781 1.00 0.00 O ATOM 890 ND2 ASN A 57 34.821 -3.487 -5.780 1.00 0.00 N ATOM 0 H ASN A 57 31.082 -3.555 -8.960 1.00 0.00 H new ATOM 0 HA ASN A 57 33.517 -1.951 -8.590 1.00 0.00 H new ATOM 0 HB2 ASN A 57 32.565 -3.504 -6.795 1.00 0.00 H new ATOM 0 HB3 ASN A 57 32.959 -4.849 -7.847 1.00 0.00 H new ATOM 0 HD21 ASN A 57 35.754 -3.469 -5.367 1.00 0.00 H new ATOM 0 HD22 ASN A 57 34.008 -3.242 -5.214 1.00 0.00 H new ATOM 897 N ASP A 58 34.372 -2.669 -10.838 1.00 0.00 N ATOM 898 CA ASP A 58 35.096 -3.117 -12.022 1.00 0.00 C ATOM 899 C ASP A 58 36.260 -4.024 -11.635 1.00 0.00 C ATOM 900 O ASP A 58 36.874 -4.662 -12.491 1.00 0.00 O ATOM 901 CB ASP A 58 35.611 -1.916 -12.816 1.00 0.00 C ATOM 902 CG ASP A 58 36.308 -2.326 -14.099 1.00 0.00 C ATOM 903 OD1 ASP A 58 35.764 -3.191 -14.818 1.00 0.00 O ATOM 904 OD2 ASP A 58 37.396 -1.784 -14.384 1.00 0.00 O ATOM 0 H ASP A 58 34.349 -1.657 -10.716 1.00 0.00 H new ATOM 0 HA ASP A 58 34.407 -3.686 -12.646 1.00 0.00 H new ATOM 0 HB2 ASP A 58 34.776 -1.257 -13.054 1.00 0.00 H new ATOM 0 HB3 ASP A 58 36.302 -1.344 -12.197 1.00 0.00 H new ATOM 909 N ARG A 59 36.559 -4.076 -10.341 1.00 0.00 N ATOM 910 CA ARG A 59 37.651 -4.903 -9.842 1.00 0.00 C ATOM 911 C ARG A 59 37.113 -6.139 -9.125 1.00 0.00 C ATOM 912 O ARG A 59 37.808 -6.748 -8.312 1.00 0.00 O ATOM 913 CB ARG A 59 38.538 -4.096 -8.893 1.00 0.00 C ATOM 914 CG ARG A 59 39.323 -2.992 -9.584 1.00 0.00 C ATOM 915 CD ARG A 59 40.800 -3.338 -9.682 1.00 0.00 C ATOM 916 NE ARG A 59 41.401 -2.828 -10.911 1.00 0.00 N ATOM 917 CZ ARG A 59 42.677 -3.005 -11.234 1.00 0.00 C ATOM 918 NH1 ARG A 59 43.483 -3.677 -10.423 1.00 0.00 N ATOM 919 NH2 ARG A 59 43.150 -2.511 -12.371 1.00 0.00 N ATOM 0 H ARG A 59 36.060 -3.555 -9.619 1.00 0.00 H new ATOM 0 HA ARG A 59 38.246 -5.229 -10.695 1.00 0.00 H new ATOM 0 HB2 ARG A 59 37.916 -3.655 -8.114 1.00 0.00 H new ATOM 0 HB3 ARG A 59 39.236 -4.772 -8.399 1.00 0.00 H new ATOM 0 HG2 ARG A 59 38.919 -2.827 -10.583 1.00 0.00 H new ATOM 0 HG3 ARG A 59 39.202 -2.059 -9.034 1.00 0.00 H new ATOM 0 HD2 ARG A 59 41.327 -2.925 -8.822 1.00 0.00 H new ATOM 0 HD3 ARG A 59 40.922 -4.420 -9.641 1.00 0.00 H new ATOM 0 HE ARG A 59 40.808 -2.307 -11.557 1.00 0.00 H new ATOM 0 HH11 ARG A 59 43.123 -4.060 -9.549 1.00 0.00 H new ATOM 0 HH12 ARG A 59 44.463 -3.811 -10.674 1.00 0.00 H new ATOM 0 HH21 ARG A 59 42.533 -1.995 -12.998 1.00 0.00 H new ATOM 0 HH22 ARG A 59 44.130 -2.648 -12.618 1.00 0.00 H new ATOM 933 N MET A 60 35.872 -6.501 -9.433 1.00 0.00 N ATOM 934 CA MET A 60 35.242 -7.664 -8.818 1.00 0.00 C ATOM 935 C MET A 60 35.829 -8.958 -9.374 1.00 0.00 C ATOM 936 O MET A 60 36.027 -9.094 -10.582 1.00 0.00 O ATOM 937 CB MET A 60 33.730 -7.634 -9.051 1.00 0.00 C ATOM 938 CG MET A 60 32.992 -8.793 -8.401 1.00 0.00 C ATOM 939 SD MET A 60 33.492 -9.061 -6.689 1.00 0.00 S ATOM 940 CE MET A 60 32.696 -7.674 -5.883 1.00 0.00 C ATOM 0 H MET A 60 35.283 -6.007 -10.104 1.00 0.00 H new ATOM 0 HA MET A 60 35.438 -7.628 -7.746 1.00 0.00 H new ATOM 0 HB2 MET A 60 33.330 -6.697 -8.665 1.00 0.00 H new ATOM 0 HB3 MET A 60 33.536 -7.646 -10.123 1.00 0.00 H new ATOM 0 HG2 MET A 60 31.920 -8.602 -8.437 1.00 0.00 H new ATOM 0 HG3 MET A 60 33.173 -9.702 -8.975 1.00 0.00 H new ATOM 0 HE1 MET A 60 32.394 -7.963 -4.876 1.00 0.00 H new ATOM 0 HE2 MET A 60 33.392 -6.837 -5.827 1.00 0.00 H new ATOM 0 HE3 MET A 60 31.817 -7.377 -6.454 1.00 0.00 H new ATOM 950 N THR A 61 36.105 -9.907 -8.485 1.00 0.00 N ATOM 951 CA THR A 61 36.671 -11.189 -8.887 1.00 0.00 C ATOM 952 C THR A 61 36.300 -12.287 -7.897 1.00 0.00 C ATOM 953 O THR A 61 36.207 -12.046 -6.693 1.00 0.00 O ATOM 954 CB THR A 61 38.205 -11.115 -9.004 1.00 0.00 C ATOM 955 OG1 THR A 61 38.804 -11.312 -7.719 1.00 0.00 O ATOM 956 CG2 THR A 61 38.640 -9.772 -9.571 1.00 0.00 C ATOM 0 H THR A 61 35.946 -9.812 -7.482 1.00 0.00 H new ATOM 0 HA THR A 61 36.252 -11.427 -9.864 1.00 0.00 H new ATOM 0 HB THR A 61 38.534 -11.902 -9.683 1.00 0.00 H new ATOM 0 HG1 THR A 61 39.779 -11.265 -7.802 1.00 0.00 H new ATOM 0 HG21 THR A 61 39.727 -9.743 -9.644 1.00 0.00 H new ATOM 0 HG22 THR A 61 38.206 -9.637 -10.562 1.00 0.00 H new ATOM 0 HG23 THR A 61 38.299 -8.972 -8.914 1.00 0.00 H new ATOM 964 N TYR A 62 36.091 -13.494 -8.411 1.00 0.00 N ATOM 965 CA TYR A 62 35.729 -14.630 -7.572 1.00 0.00 C ATOM 966 C TYR A 62 36.550 -14.640 -6.285 1.00 0.00 C ATOM 967 O TYR A 62 36.090 -15.115 -5.248 1.00 0.00 O ATOM 968 CB TYR A 62 35.938 -15.941 -8.333 1.00 0.00 C ATOM 969 CG TYR A 62 35.262 -17.129 -7.688 1.00 0.00 C ATOM 970 CD1 TYR A 62 33.959 -17.039 -7.214 1.00 0.00 C ATOM 971 CD2 TYR A 62 35.925 -18.343 -7.554 1.00 0.00 C ATOM 972 CE1 TYR A 62 33.337 -18.122 -6.623 1.00 0.00 C ATOM 973 CE2 TYR A 62 35.311 -19.432 -6.966 1.00 0.00 C ATOM 974 CZ TYR A 62 34.017 -19.316 -6.503 1.00 0.00 C ATOM 975 OH TYR A 62 33.401 -20.398 -5.916 1.00 0.00 O ATOM 0 H TYR A 62 36.166 -13.711 -9.405 1.00 0.00 H new ATOM 0 HA TYR A 62 34.675 -14.534 -7.310 1.00 0.00 H new ATOM 0 HB2 TYR A 62 35.560 -15.826 -9.349 1.00 0.00 H new ATOM 0 HB3 TYR A 62 37.007 -16.140 -8.411 1.00 0.00 H new ATOM 0 HD1 TYR A 62 33.423 -16.106 -7.309 1.00 0.00 H new ATOM 0 HD2 TYR A 62 36.938 -18.437 -7.916 1.00 0.00 H new ATOM 0 HE1 TYR A 62 32.325 -18.034 -6.257 1.00 0.00 H new ATOM 0 HE2 TYR A 62 35.841 -20.368 -6.870 1.00 0.00 H new ATOM 0 HH TYR A 62 34.016 -21.161 -5.910 1.00 0.00 H new ATOM 985 N GLU A 63 37.767 -14.111 -6.363 1.00 0.00 N ATOM 986 CA GLU A 63 38.652 -14.059 -5.206 1.00 0.00 C ATOM 987 C GLU A 63 38.122 -13.082 -4.159 1.00 0.00 C ATOM 988 O GLU A 63 38.150 -13.363 -2.961 1.00 0.00 O ATOM 989 CB GLU A 63 40.063 -13.650 -5.633 1.00 0.00 C ATOM 990 CG GLU A 63 41.077 -14.779 -5.543 1.00 0.00 C ATOM 991 CD GLU A 63 42.353 -14.479 -6.306 1.00 0.00 C ATOM 992 OE1 GLU A 63 42.335 -14.573 -7.551 1.00 0.00 O ATOM 993 OE2 GLU A 63 43.368 -14.150 -5.658 1.00 0.00 O ATOM 0 H GLU A 63 38.162 -13.713 -7.215 1.00 0.00 H new ATOM 0 HA GLU A 63 38.689 -15.055 -4.764 1.00 0.00 H new ATOM 0 HB2 GLU A 63 40.031 -13.282 -6.659 1.00 0.00 H new ATOM 0 HB3 GLU A 63 40.397 -12.822 -5.008 1.00 0.00 H new ATOM 0 HG2 GLU A 63 41.319 -14.963 -4.496 1.00 0.00 H new ATOM 0 HG3 GLU A 63 40.632 -15.694 -5.933 1.00 0.00 H new ATOM 1000 N LYS A 64 37.641 -11.933 -4.622 1.00 0.00 N ATOM 1001 CA LYS A 64 37.104 -10.914 -3.728 1.00 0.00 C ATOM 1002 C LYS A 64 35.659 -11.225 -3.353 1.00 0.00 C ATOM 1003 O LYS A 64 35.198 -10.870 -2.268 1.00 0.00 O ATOM 1004 CB LYS A 64 37.185 -9.535 -4.387 1.00 0.00 C ATOM 1005 CG LYS A 64 38.529 -9.249 -5.036 1.00 0.00 C ATOM 1006 CD LYS A 64 38.404 -8.221 -6.148 1.00 0.00 C ATOM 1007 CE LYS A 64 37.811 -6.916 -5.637 1.00 0.00 C ATOM 1008 NZ LYS A 64 38.816 -5.817 -5.627 1.00 0.00 N ATOM 0 H LYS A 64 37.612 -11.684 -5.611 1.00 0.00 H new ATOM 0 HA LYS A 64 37.704 -10.912 -2.818 1.00 0.00 H new ATOM 0 HB2 LYS A 64 36.402 -9.456 -5.141 1.00 0.00 H new ATOM 0 HB3 LYS A 64 36.983 -8.771 -3.637 1.00 0.00 H new ATOM 0 HG2 LYS A 64 39.228 -8.888 -4.282 1.00 0.00 H new ATOM 0 HG3 LYS A 64 38.944 -10.173 -5.439 1.00 0.00 H new ATOM 0 HD2 LYS A 64 39.386 -8.031 -6.581 1.00 0.00 H new ATOM 0 HD3 LYS A 64 37.776 -8.620 -6.945 1.00 0.00 H new ATOM 0 HE2 LYS A 64 36.967 -6.630 -6.264 1.00 0.00 H new ATOM 0 HE3 LYS A 64 37.424 -7.063 -4.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 38.329 -4.902 -5.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 39.462 -5.945 -4.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 39.360 -5.836 -6.513 1.00 0.00 H new ATOM 1022 N LEU A 65 34.949 -11.892 -4.257 1.00 0.00 N ATOM 1023 CA LEU A 65 33.555 -12.253 -4.020 1.00 0.00 C ATOM 1024 C LEU A 65 33.446 -13.323 -2.939 1.00 0.00 C ATOM 1025 O LEU A 65 32.580 -13.253 -2.066 1.00 0.00 O ATOM 1026 CB LEU A 65 32.910 -12.752 -5.314 1.00 0.00 C ATOM 1027 CG LEU A 65 31.485 -13.292 -5.189 1.00 0.00 C ATOM 1028 CD1 LEU A 65 30.696 -13.014 -6.459 1.00 0.00 C ATOM 1029 CD2 LEU A 65 31.505 -14.783 -4.886 1.00 0.00 C ATOM 0 H LEU A 65 35.315 -12.194 -5.160 1.00 0.00 H new ATOM 0 HA LEU A 65 33.028 -11.362 -3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 65 32.905 -11.933 -6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 65 33.540 -13.538 -5.731 1.00 0.00 H new ATOM 0 HG LEU A 65 30.994 -12.780 -4.362 1.00 0.00 H new ATOM 0 HD11 LEU A 65 29.684 -13.405 -6.352 1.00 0.00 H new ATOM 0 HD12 LEU A 65 30.653 -11.939 -6.632 1.00 0.00 H new ATOM 0 HD13 LEU A 65 31.185 -13.498 -7.304 1.00 0.00 H new ATOM 0 HD21 LEU A 65 30.482 -15.151 -4.800 1.00 0.00 H new ATOM 0 HD22 LEU A 65 32.014 -15.311 -5.692 1.00 0.00 H new ATOM 0 HD23 LEU A 65 32.033 -14.957 -3.948 1.00 0.00 H new ATOM 1041 N SER A 66 34.332 -14.313 -3.001 1.00 0.00 N ATOM 1042 CA SER A 66 34.334 -15.399 -2.028 1.00 0.00 C ATOM 1043 C SER A 66 34.585 -14.866 -0.620 1.00 0.00 C ATOM 1044 O SER A 66 34.228 -15.506 0.369 1.00 0.00 O ATOM 1045 CB SER A 66 35.400 -16.435 -2.391 1.00 0.00 C ATOM 1046 OG SER A 66 35.179 -16.961 -3.688 1.00 0.00 O ATOM 0 H SER A 66 35.057 -14.385 -3.715 1.00 0.00 H new ATOM 0 HA SER A 66 33.353 -15.875 -2.049 1.00 0.00 H new ATOM 0 HB2 SER A 66 36.388 -15.977 -2.345 1.00 0.00 H new ATOM 0 HB3 SER A 66 35.389 -17.244 -1.660 1.00 0.00 H new ATOM 0 HG SER A 66 35.724 -16.470 -4.338 1.00 0.00 H new ATOM 1052 N ARG A 67 35.200 -13.691 -0.540 1.00 0.00 N ATOM 1053 CA ARG A 67 35.500 -13.073 0.746 1.00 0.00 C ATOM 1054 C ARG A 67 34.260 -13.037 1.634 1.00 0.00 C ATOM 1055 O ARG A 67 34.356 -13.153 2.856 1.00 0.00 O ATOM 1056 CB ARG A 67 36.035 -11.654 0.541 1.00 0.00 C ATOM 1057 CG ARG A 67 34.961 -10.581 0.617 1.00 0.00 C ATOM 1058 CD ARG A 67 35.487 -9.232 0.153 1.00 0.00 C ATOM 1059 NE ARG A 67 34.911 -8.128 0.915 1.00 0.00 N ATOM 1060 CZ ARG A 67 35.133 -6.848 0.637 1.00 0.00 C ATOM 1061 NH1 ARG A 67 35.916 -6.513 -0.379 1.00 0.00 N ATOM 1062 NH2 ARG A 67 34.572 -5.900 1.377 1.00 0.00 N ATOM 0 H ARG A 67 35.500 -13.148 -1.350 1.00 0.00 H new ATOM 0 HA ARG A 67 36.263 -13.674 1.241 1.00 0.00 H new ATOM 0 HB2 ARG A 67 36.795 -11.449 1.295 1.00 0.00 H new ATOM 0 HB3 ARG A 67 36.526 -11.597 -0.431 1.00 0.00 H new ATOM 0 HG2 ARG A 67 34.110 -10.872 0.001 1.00 0.00 H new ATOM 0 HG3 ARG A 67 34.599 -10.499 1.642 1.00 0.00 H new ATOM 0 HD2 ARG A 67 36.572 -9.213 0.252 1.00 0.00 H new ATOM 0 HD3 ARG A 67 35.261 -9.099 -0.905 1.00 0.00 H new ATOM 0 HE ARG A 67 34.305 -8.352 1.704 1.00 0.00 H new ATOM 0 HH11 ARG A 67 36.350 -7.239 -0.950 1.00 0.00 H new ATOM 0 HH12 ARG A 67 36.085 -5.529 -0.590 1.00 0.00 H new ATOM 0 HH21 ARG A 67 33.970 -6.154 2.160 1.00 0.00 H new ATOM 0 HH22 ARG A 67 34.743 -4.918 1.163 1.00 0.00 H new ATOM 1076 N ALA A 68 33.097 -12.875 1.012 1.00 0.00 N ATOM 1077 CA ALA A 68 31.839 -12.825 1.746 1.00 0.00 C ATOM 1078 C ALA A 68 31.279 -14.225 1.971 1.00 0.00 C ATOM 1079 O ALA A 68 30.545 -14.465 2.931 1.00 0.00 O ATOM 1080 CB ALA A 68 30.828 -11.964 1.003 1.00 0.00 C ATOM 0 H ALA A 68 33.000 -12.776 0.001 1.00 0.00 H new ATOM 0 HA ALA A 68 32.034 -12.378 2.721 1.00 0.00 H new ATOM 0 HB1 ALA A 68 29.893 -11.936 1.563 1.00 0.00 H new ATOM 0 HB2 ALA A 68 31.219 -10.952 0.898 1.00 0.00 H new ATOM 0 HB3 ALA A 68 30.647 -12.387 0.015 1.00 0.00 H new ATOM 1086 N LEU A 69 31.629 -15.147 1.081 1.00 0.00 N ATOM 1087 CA LEU A 69 31.160 -16.525 1.182 1.00 0.00 C ATOM 1088 C LEU A 69 31.710 -17.197 2.437 1.00 0.00 C ATOM 1089 O LEU A 69 31.031 -18.008 3.067 1.00 0.00 O ATOM 1090 CB LEU A 69 31.575 -17.318 -0.058 1.00 0.00 C ATOM 1091 CG LEU A 69 30.990 -16.839 -1.388 1.00 0.00 C ATOM 1092 CD1 LEU A 69 31.525 -17.676 -2.539 1.00 0.00 C ATOM 1093 CD2 LEU A 69 29.470 -16.888 -1.351 1.00 0.00 C ATOM 0 H LEU A 69 32.236 -14.966 0.281 1.00 0.00 H new ATOM 0 HA LEU A 69 30.072 -16.508 1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 69 32.662 -17.295 -0.133 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.288 -18.359 0.088 1.00 0.00 H new ATOM 0 HG LEU A 69 31.296 -15.805 -1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 69 31.098 -17.321 -3.477 1.00 0.00 H new ATOM 0 HD12 LEU A 69 32.611 -17.588 -2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 69 31.251 -18.720 -2.388 1.00 0.00 H new ATOM 0 HD21 LEU A 69 29.072 -16.544 -2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.143 -17.912 -1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 69 29.105 -16.243 -0.552 1.00 0.00 H new ATOM 1105 N ARG A 70 32.943 -16.852 2.794 1.00 0.00 N ATOM 1106 CA ARG A 70 33.583 -17.421 3.973 1.00 0.00 C ATOM 1107 C ARG A 70 33.218 -16.629 5.226 1.00 0.00 C ATOM 1108 O ARG A 70 33.235 -17.161 6.336 1.00 0.00 O ATOM 1109 CB ARG A 70 35.103 -17.441 3.795 1.00 0.00 C ATOM 1110 CG ARG A 70 35.557 -18.140 2.524 1.00 0.00 C ATOM 1111 CD ARG A 70 36.207 -19.481 2.827 1.00 0.00 C ATOM 1112 NE ARG A 70 37.215 -19.838 1.833 1.00 0.00 N ATOM 1113 CZ ARG A 70 38.381 -19.215 1.712 1.00 0.00 C ATOM 1114 NH1 ARG A 70 38.685 -18.208 2.519 1.00 0.00 N ATOM 1115 NH2 ARG A 70 39.247 -19.598 0.782 1.00 0.00 N ATOM 0 H ARG A 70 33.518 -16.182 2.284 1.00 0.00 H new ATOM 0 HA ARG A 70 33.224 -18.443 4.092 1.00 0.00 H new ATOM 0 HB2 ARG A 70 35.473 -16.416 3.788 1.00 0.00 H new ATOM 0 HB3 ARG A 70 35.555 -17.937 4.654 1.00 0.00 H new ATOM 0 HG2 ARG A 70 34.702 -18.290 1.865 1.00 0.00 H new ATOM 0 HG3 ARG A 70 36.264 -17.504 1.990 1.00 0.00 H new ATOM 0 HD2 ARG A 70 36.668 -19.445 3.814 1.00 0.00 H new ATOM 0 HD3 ARG A 70 35.441 -20.256 2.861 1.00 0.00 H new ATOM 0 HE ARG A 70 37.012 -20.609 1.196 1.00 0.00 H new ATOM 0 HH11 ARG A 70 38.022 -17.910 3.235 1.00 0.00 H new ATOM 0 HH12 ARG A 70 39.582 -17.731 2.424 1.00 0.00 H new ATOM 0 HH21 ARG A 70 39.017 -20.372 0.159 1.00 0.00 H new ATOM 0 HH22 ARG A 70 40.142 -19.118 0.690 1.00 0.00 H new ATOM 1129 N TYR A 71 32.889 -15.356 5.039 1.00 0.00 N ATOM 1130 CA TYR A 71 32.523 -14.490 6.153 1.00 0.00 C ATOM 1131 C TYR A 71 31.109 -14.794 6.638 1.00 0.00 C ATOM 1132 O TYR A 71 30.711 -14.381 7.727 1.00 0.00 O ATOM 1133 CB TYR A 71 32.627 -13.021 5.741 1.00 0.00 C ATOM 1134 CG TYR A 71 32.045 -12.063 6.756 1.00 0.00 C ATOM 1135 CD1 TYR A 71 32.768 -11.690 7.882 1.00 0.00 C ATOM 1136 CD2 TYR A 71 30.771 -11.534 6.590 1.00 0.00 C ATOM 1137 CE1 TYR A 71 32.240 -10.816 8.813 1.00 0.00 C ATOM 1138 CE2 TYR A 71 30.236 -10.658 7.514 1.00 0.00 C ATOM 1139 CZ TYR A 71 30.973 -10.303 8.624 1.00 0.00 C ATOM 1140 OH TYR A 71 30.443 -9.432 9.548 1.00 0.00 O ATOM 0 H TYR A 71 32.868 -14.901 4.126 1.00 0.00 H new ATOM 0 HA TYR A 71 33.218 -14.681 6.971 1.00 0.00 H new ATOM 0 HB2 TYR A 71 33.676 -12.772 5.579 1.00 0.00 H new ATOM 0 HB3 TYR A 71 32.115 -12.883 4.789 1.00 0.00 H new ATOM 0 HD1 TYR A 71 33.760 -12.090 8.032 1.00 0.00 H new ATOM 0 HD2 TYR A 71 30.189 -11.813 5.724 1.00 0.00 H new ATOM 0 HE1 TYR A 71 32.815 -10.536 9.683 1.00 0.00 H new ATOM 0 HE2 TYR A 71 29.245 -10.253 7.368 1.00 0.00 H new ATOM 0 HH TYR A 71 29.544 -9.163 9.266 1.00 0.00 H new ATOM 1150 N TYR A 72 30.354 -15.520 5.820 1.00 0.00 N ATOM 1151 CA TYR A 72 28.983 -15.879 6.163 1.00 0.00 C ATOM 1152 C TYR A 72 28.955 -17.037 7.155 1.00 0.00 C ATOM 1153 O TYR A 72 27.951 -17.269 7.828 1.00 0.00 O ATOM 1154 CB TYR A 72 28.202 -16.254 4.902 1.00 0.00 C ATOM 1155 CG TYR A 72 27.648 -15.061 4.156 1.00 0.00 C ATOM 1156 CD1 TYR A 72 26.958 -14.058 4.824 1.00 0.00 C ATOM 1157 CD2 TYR A 72 27.816 -14.937 2.782 1.00 0.00 C ATOM 1158 CE1 TYR A 72 26.449 -12.967 4.146 1.00 0.00 C ATOM 1159 CE2 TYR A 72 27.313 -13.849 2.096 1.00 0.00 C ATOM 1160 CZ TYR A 72 26.630 -12.867 2.782 1.00 0.00 C ATOM 1161 OH TYR A 72 26.127 -11.781 2.103 1.00 0.00 O ATOM 0 H TYR A 72 30.668 -15.871 4.915 1.00 0.00 H new ATOM 0 HA TYR A 72 28.513 -15.013 6.630 1.00 0.00 H new ATOM 0 HB2 TYR A 72 28.854 -16.818 4.235 1.00 0.00 H new ATOM 0 HB3 TYR A 72 27.379 -16.914 5.177 1.00 0.00 H new ATOM 0 HD1 TYR A 72 26.817 -14.132 5.892 1.00 0.00 H new ATOM 0 HD2 TYR A 72 28.349 -15.705 2.241 1.00 0.00 H new ATOM 0 HE1 TYR A 72 25.913 -12.197 4.681 1.00 0.00 H new ATOM 0 HE2 TYR A 72 27.454 -13.768 1.028 1.00 0.00 H new ATOM 0 HH TYR A 72 26.829 -11.394 1.540 1.00 0.00 H new ATOM 1171 N TYR A 73 30.066 -17.761 7.241 1.00 0.00 N ATOM 1172 CA TYR A 73 30.170 -18.897 8.149 1.00 0.00 C ATOM 1173 C TYR A 73 30.181 -18.433 9.602 1.00 0.00 C ATOM 1174 O TYR A 73 30.004 -19.231 10.523 1.00 0.00 O ATOM 1175 CB TYR A 73 31.435 -19.702 7.849 1.00 0.00 C ATOM 1176 CG TYR A 73 31.481 -20.256 6.443 1.00 0.00 C ATOM 1177 CD1 TYR A 73 30.355 -20.828 5.863 1.00 0.00 C ATOM 1178 CD2 TYR A 73 32.651 -20.209 5.694 1.00 0.00 C ATOM 1179 CE1 TYR A 73 30.393 -21.336 4.579 1.00 0.00 C ATOM 1180 CE2 TYR A 73 32.697 -20.713 4.409 1.00 0.00 C ATOM 1181 CZ TYR A 73 31.566 -21.276 3.856 1.00 0.00 C ATOM 1182 OH TYR A 73 31.608 -21.780 2.576 1.00 0.00 O ATOM 0 H TYR A 73 30.907 -17.581 6.693 1.00 0.00 H new ATOM 0 HA TYR A 73 29.298 -19.533 7.996 1.00 0.00 H new ATOM 0 HB2 TYR A 73 32.306 -19.067 8.009 1.00 0.00 H new ATOM 0 HB3 TYR A 73 31.507 -20.527 8.558 1.00 0.00 H new ATOM 0 HD1 TYR A 73 29.434 -20.876 6.426 1.00 0.00 H new ATOM 0 HD2 TYR A 73 33.539 -19.771 6.124 1.00 0.00 H new ATOM 0 HE1 TYR A 73 29.509 -21.778 4.144 1.00 0.00 H new ATOM 0 HE2 TYR A 73 33.614 -20.666 3.840 1.00 0.00 H new ATOM 0 HH TYR A 73 32.507 -21.658 2.206 1.00 0.00 H new ATOM 1192 N LYS A 74 30.390 -17.136 9.801 1.00 0.00 N ATOM 1193 CA LYS A 74 30.423 -16.562 11.141 1.00 0.00 C ATOM 1194 C LYS A 74 29.020 -16.180 11.603 1.00 0.00 C ATOM 1195 O LYS A 74 28.661 -16.380 12.764 1.00 0.00 O ATOM 1196 CB LYS A 74 31.334 -15.333 11.169 1.00 0.00 C ATOM 1197 CG LYS A 74 32.536 -15.446 10.248 1.00 0.00 C ATOM 1198 CD LYS A 74 33.440 -14.229 10.359 1.00 0.00 C ATOM 1199 CE LYS A 74 34.516 -14.428 11.415 1.00 0.00 C ATOM 1200 NZ LYS A 74 35.356 -15.625 11.133 1.00 0.00 N ATOM 0 H LYS A 74 30.539 -16.462 9.050 1.00 0.00 H new ATOM 0 HA LYS A 74 30.819 -17.315 11.823 1.00 0.00 H new ATOM 0 HB2 LYS A 74 30.753 -14.454 10.889 1.00 0.00 H new ATOM 0 HB3 LYS A 74 31.682 -15.173 12.189 1.00 0.00 H new ATOM 0 HG2 LYS A 74 33.102 -16.344 10.495 1.00 0.00 H new ATOM 0 HG3 LYS A 74 32.197 -15.556 9.218 1.00 0.00 H new ATOM 0 HD2 LYS A 74 33.908 -14.033 9.394 1.00 0.00 H new ATOM 0 HD3 LYS A 74 32.842 -13.352 10.608 1.00 0.00 H new ATOM 0 HE2 LYS A 74 35.150 -13.542 11.459 1.00 0.00 H new ATOM 0 HE3 LYS A 74 34.049 -14.535 12.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 36.361 -15.376 11.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 35.116 -16.383 11.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 35.178 -15.953 10.162 1.00 0.00 H new ATOM 1214 N THR A 75 28.230 -15.628 10.687 1.00 0.00 N ATOM 1215 CA THR A 75 26.867 -15.218 11.001 1.00 0.00 C ATOM 1216 C THR A 75 25.891 -16.376 10.829 1.00 0.00 C ATOM 1217 O THR A 75 24.755 -16.318 11.299 1.00 0.00 O ATOM 1218 CB THR A 75 26.415 -14.044 10.112 1.00 0.00 C ATOM 1219 OG1 THR A 75 26.221 -14.495 8.767 1.00 0.00 O ATOM 1220 CG2 THR A 75 27.442 -12.922 10.133 1.00 0.00 C ATOM 0 H THR A 75 28.511 -15.455 9.722 1.00 0.00 H new ATOM 0 HA THR A 75 26.865 -14.897 12.043 1.00 0.00 H new ATOM 0 HB THR A 75 25.474 -13.660 10.506 1.00 0.00 H new ATOM 0 HG1 THR A 75 26.248 -13.728 8.158 1.00 0.00 H new ATOM 0 HG21 THR A 75 27.101 -12.104 9.498 1.00 0.00 H new ATOM 0 HG22 THR A 75 27.566 -12.561 11.154 1.00 0.00 H new ATOM 0 HG23 THR A 75 28.396 -13.295 9.762 1.00 0.00 H new ATOM 1228 N GLY A 76 26.341 -17.428 10.153 1.00 0.00 N ATOM 1229 CA GLY A 76 25.494 -18.586 9.931 1.00 0.00 C ATOM 1230 C GLY A 76 24.815 -18.556 8.577 1.00 0.00 C ATOM 1231 O GLY A 76 24.258 -19.561 8.133 1.00 0.00 O ATOM 0 H GLY A 76 27.277 -17.500 9.755 1.00 0.00 H new ATOM 0 HA2 GLY A 76 26.094 -19.492 10.013 1.00 0.00 H new ATOM 0 HA3 GLY A 76 24.736 -18.633 10.713 1.00 0.00 H new ATOM 1235 N ILE A 77 24.860 -17.403 7.919 1.00 0.00 N ATOM 1236 CA ILE A 77 24.243 -17.247 6.607 1.00 0.00 C ATOM 1237 C ILE A 77 24.557 -18.438 5.708 1.00 0.00 C ATOM 1238 O ILE A 77 23.671 -18.983 5.049 1.00 0.00 O ATOM 1239 CB ILE A 77 24.714 -15.955 5.914 1.00 0.00 C ATOM 1240 CG1 ILE A 77 24.145 -14.729 6.630 1.00 0.00 C ATOM 1241 CG2 ILE A 77 24.300 -15.960 4.449 1.00 0.00 C ATOM 1242 CD1 ILE A 77 22.697 -14.450 6.292 1.00 0.00 C ATOM 0 H ILE A 77 25.317 -16.563 8.273 1.00 0.00 H new ATOM 0 HA ILE A 77 23.166 -17.191 6.768 1.00 0.00 H new ATOM 0 HB ILE A 77 25.802 -15.908 5.965 1.00 0.00 H new ATOM 0 HG12 ILE A 77 24.237 -14.872 7.707 1.00 0.00 H new ATOM 0 HG13 ILE A 77 24.745 -13.856 6.371 1.00 0.00 H new ATOM 0 HG21 ILE A 77 24.640 -15.041 3.972 1.00 0.00 H new ATOM 0 HG22 ILE A 77 24.749 -16.817 3.947 1.00 0.00 H new ATOM 0 HG23 ILE A 77 23.214 -16.026 4.378 1.00 0.00 H new ATOM 0 HD11 ILE A 77 22.360 -13.567 6.835 1.00 0.00 H new ATOM 0 HD12 ILE A 77 22.601 -14.275 5.220 1.00 0.00 H new ATOM 0 HD13 ILE A 77 22.085 -15.306 6.576 1.00 0.00 H new ATOM 1254 N LEU A 78 25.824 -18.838 5.686 1.00 0.00 N ATOM 1255 CA LEU A 78 26.256 -19.966 4.868 1.00 0.00 C ATOM 1256 C LEU A 78 26.720 -21.126 5.743 1.00 0.00 C ATOM 1257 O LEU A 78 26.833 -20.991 6.961 1.00 0.00 O ATOM 1258 CB LEU A 78 27.384 -19.537 3.929 1.00 0.00 C ATOM 1259 CG LEU A 78 26.967 -19.157 2.508 1.00 0.00 C ATOM 1260 CD1 LEU A 78 28.135 -18.538 1.756 1.00 0.00 C ATOM 1261 CD2 LEU A 78 26.436 -20.374 1.764 1.00 0.00 C ATOM 0 H LEU A 78 26.570 -18.398 6.225 1.00 0.00 H new ATOM 0 HA LEU A 78 25.405 -20.301 4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 78 27.897 -18.685 4.376 1.00 0.00 H new ATOM 0 HB3 LEU A 78 28.108 -20.349 3.869 1.00 0.00 H new ATOM 0 HG LEU A 78 26.169 -18.417 2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 78 27.819 -18.274 0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 78 28.469 -17.641 2.278 1.00 0.00 H new ATOM 0 HD13 LEU A 78 28.955 -19.254 1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 78 26.144 -20.085 0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 78 27.213 -21.137 1.712 1.00 0.00 H new ATOM 0 HD23 LEU A 78 25.570 -20.774 2.292 1.00 0.00 H new ATOM 1273 N GLU A 79 26.990 -22.265 5.113 1.00 0.00 N ATOM 1274 CA GLU A 79 27.443 -23.448 5.834 1.00 0.00 C ATOM 1275 C GLU A 79 28.750 -23.975 5.248 1.00 0.00 C ATOM 1276 O GLU A 79 28.841 -24.244 4.050 1.00 0.00 O ATOM 1277 CB GLU A 79 26.374 -24.541 5.789 1.00 0.00 C ATOM 1278 CG GLU A 79 25.545 -24.635 7.060 1.00 0.00 C ATOM 1279 CD GLU A 79 25.987 -25.770 7.962 1.00 0.00 C ATOM 1280 OE1 GLU A 79 27.209 -25.910 8.183 1.00 0.00 O ATOM 1281 OE2 GLU A 79 25.113 -26.518 8.447 1.00 0.00 O ATOM 0 H GLU A 79 26.903 -22.393 4.105 1.00 0.00 H new ATOM 0 HA GLU A 79 27.618 -23.164 6.872 1.00 0.00 H new ATOM 0 HB2 GLU A 79 25.710 -24.353 4.945 1.00 0.00 H new ATOM 0 HB3 GLU A 79 26.856 -25.502 5.608 1.00 0.00 H new ATOM 0 HG2 GLU A 79 25.615 -23.694 7.606 1.00 0.00 H new ATOM 0 HG3 GLU A 79 24.496 -24.773 6.796 1.00 0.00 H new ATOM 1288 N ARG A 80 29.758 -24.120 6.102 1.00 0.00 N ATOM 1289 CA ARG A 80 31.060 -24.613 5.669 1.00 0.00 C ATOM 1290 C ARG A 80 30.934 -25.991 5.027 1.00 0.00 C ATOM 1291 O ARG A 80 30.440 -26.934 5.646 1.00 0.00 O ATOM 1292 CB ARG A 80 32.024 -24.678 6.856 1.00 0.00 C ATOM 1293 CG ARG A 80 33.488 -24.732 6.449 1.00 0.00 C ATOM 1294 CD ARG A 80 34.206 -23.433 6.781 1.00 0.00 C ATOM 1295 NE ARG A 80 35.588 -23.663 7.194 1.00 0.00 N ATOM 1296 CZ ARG A 80 36.374 -22.714 7.689 1.00 0.00 C ATOM 1297 NH1 ARG A 80 35.917 -21.477 7.833 1.00 0.00 N ATOM 1298 NH2 ARG A 80 37.621 -23.000 8.043 1.00 0.00 N ATOM 0 H ARG A 80 29.698 -23.903 7.097 1.00 0.00 H new ATOM 0 HA ARG A 80 31.454 -23.920 4.926 1.00 0.00 H new ATOM 0 HB2 ARG A 80 31.864 -23.807 7.491 1.00 0.00 H new ATOM 0 HB3 ARG A 80 31.790 -25.557 7.456 1.00 0.00 H new ATOM 0 HG2 ARG A 80 33.978 -25.561 6.959 1.00 0.00 H new ATOM 0 HG3 ARG A 80 33.563 -24.927 5.379 1.00 0.00 H new ATOM 0 HD2 ARG A 80 34.192 -22.778 5.910 1.00 0.00 H new ATOM 0 HD3 ARG A 80 33.671 -22.916 7.577 1.00 0.00 H new ATOM 0 HE ARG A 80 35.970 -24.604 7.097 1.00 0.00 H new ATOM 0 HH11 ARG A 80 34.959 -21.252 7.563 1.00 0.00 H new ATOM 0 HH12 ARG A 80 36.523 -20.750 8.214 1.00 0.00 H new ATOM 0 HH21 ARG A 80 37.977 -23.950 7.935 1.00 0.00 H new ATOM 0 HH22 ARG A 80 38.223 -22.270 8.423 1.00 0.00 H new ATOM 1312 N VAL A 81 31.383 -26.101 3.781 1.00 0.00 N ATOM 1313 CA VAL A 81 31.321 -27.363 3.054 1.00 0.00 C ATOM 1314 C VAL A 81 32.718 -27.893 2.753 1.00 0.00 C ATOM 1315 O VAL A 81 33.648 -27.122 2.516 1.00 0.00 O ATOM 1316 CB VAL A 81 30.545 -27.213 1.732 1.00 0.00 C ATOM 1317 CG1 VAL A 81 30.050 -28.567 1.246 1.00 0.00 C ATOM 1318 CG2 VAL A 81 29.386 -26.243 1.903 1.00 0.00 C ATOM 0 H VAL A 81 31.794 -25.331 3.254 1.00 0.00 H new ATOM 0 HA VAL A 81 30.797 -28.072 3.695 1.00 0.00 H new ATOM 0 HB VAL A 81 31.220 -26.808 0.978 1.00 0.00 H new ATOM 0 HG11 VAL A 81 29.504 -28.441 0.311 1.00 0.00 H new ATOM 0 HG12 VAL A 81 30.901 -29.228 1.083 1.00 0.00 H new ATOM 0 HG13 VAL A 81 29.390 -29.003 1.995 1.00 0.00 H new ATOM 0 HG21 VAL A 81 28.848 -26.149 0.960 1.00 0.00 H new ATOM 0 HG22 VAL A 81 28.709 -26.617 2.671 1.00 0.00 H new ATOM 0 HG23 VAL A 81 29.769 -25.267 2.201 1.00 0.00 H new ATOM 1328 N ASP A 82 32.859 -29.214 2.763 1.00 0.00 N ATOM 1329 CA ASP A 82 34.143 -29.849 2.489 1.00 0.00 C ATOM 1330 C ASP A 82 34.293 -30.153 1.002 1.00 0.00 C ATOM 1331 O ASP A 82 34.982 -31.098 0.618 1.00 0.00 O ATOM 1332 CB ASP A 82 34.284 -31.136 3.303 1.00 0.00 C ATOM 1333 CG ASP A 82 35.209 -30.971 4.493 1.00 0.00 C ATOM 1334 OD1 ASP A 82 36.316 -30.421 4.312 1.00 0.00 O ATOM 1335 OD2 ASP A 82 34.826 -31.391 5.604 1.00 0.00 O ATOM 0 H ASP A 82 32.099 -29.866 2.958 1.00 0.00 H new ATOM 0 HA ASP A 82 34.932 -29.156 2.781 1.00 0.00 H new ATOM 0 HB2 ASP A 82 33.301 -31.451 3.652 1.00 0.00 H new ATOM 0 HB3 ASP A 82 34.663 -31.930 2.659 1.00 0.00 H new ATOM 1340 N ARG A 83 33.642 -29.347 0.170 1.00 0.00 N ATOM 1341 CA ARG A 83 33.701 -29.531 -1.275 1.00 0.00 C ATOM 1342 C ARG A 83 33.916 -28.198 -1.985 1.00 0.00 C ATOM 1343 O ARG A 83 33.295 -27.192 -1.640 1.00 0.00 O ATOM 1344 CB ARG A 83 32.414 -30.188 -1.779 1.00 0.00 C ATOM 1345 CG ARG A 83 32.432 -31.706 -1.695 1.00 0.00 C ATOM 1346 CD ARG A 83 31.024 -32.278 -1.657 1.00 0.00 C ATOM 1347 NE ARG A 83 30.920 -33.527 -2.407 1.00 0.00 N ATOM 1348 CZ ARG A 83 29.880 -34.349 -2.325 1.00 0.00 C ATOM 1349 NH1 ARG A 83 28.859 -34.055 -1.532 1.00 0.00 N ATOM 1350 NH2 ARG A 83 29.859 -35.468 -3.039 1.00 0.00 N ATOM 0 H ARG A 83 33.067 -28.560 0.472 1.00 0.00 H new ATOM 0 HA ARG A 83 34.546 -30.182 -1.499 1.00 0.00 H new ATOM 0 HB2 ARG A 83 31.572 -29.810 -1.199 1.00 0.00 H new ATOM 0 HB3 ARG A 83 32.246 -29.892 -2.814 1.00 0.00 H new ATOM 0 HG2 ARG A 83 32.968 -32.113 -2.552 1.00 0.00 H new ATOM 0 HG3 ARG A 83 32.976 -32.016 -0.803 1.00 0.00 H new ATOM 0 HD2 ARG A 83 30.731 -32.452 -0.622 1.00 0.00 H new ATOM 0 HD3 ARG A 83 30.325 -31.549 -2.068 1.00 0.00 H new ATOM 0 HE ARG A 83 31.688 -33.782 -3.028 1.00 0.00 H new ATOM 0 HH11 ARG A 83 28.871 -33.196 -0.983 1.00 0.00 H new ATOM 0 HH12 ARG A 83 28.062 -34.688 -1.471 1.00 0.00 H new ATOM 0 HH21 ARG A 83 30.642 -35.697 -3.651 1.00 0.00 H new ATOM 0 HH22 ARG A 83 29.060 -36.099 -2.975 1.00 0.00 H new ATOM 1364 N ARG A 84 34.798 -28.198 -2.979 1.00 0.00 N ATOM 1365 CA ARG A 84 35.097 -26.989 -3.736 1.00 0.00 C ATOM 1366 C ARG A 84 33.895 -26.562 -4.574 1.00 0.00 C ATOM 1367 O ARG A 84 32.988 -27.356 -4.828 1.00 0.00 O ATOM 1368 CB ARG A 84 36.309 -27.214 -4.642 1.00 0.00 C ATOM 1369 CG ARG A 84 36.008 -28.073 -5.859 1.00 0.00 C ATOM 1370 CD ARG A 84 37.151 -28.038 -6.861 1.00 0.00 C ATOM 1371 NE ARG A 84 37.252 -29.282 -7.620 1.00 0.00 N ATOM 1372 CZ ARG A 84 37.723 -30.416 -7.113 1.00 0.00 C ATOM 1373 NH1 ARG A 84 38.134 -30.463 -5.854 1.00 0.00 N ATOM 1374 NH2 ARG A 84 37.783 -31.506 -7.867 1.00 0.00 N ATOM 0 H ARG A 84 35.318 -29.023 -3.279 1.00 0.00 H new ATOM 0 HA ARG A 84 35.326 -26.194 -3.026 1.00 0.00 H new ATOM 0 HB2 ARG A 84 36.688 -26.248 -4.975 1.00 0.00 H new ATOM 0 HB3 ARG A 84 37.103 -27.685 -4.062 1.00 0.00 H new ATOM 0 HG2 ARG A 84 35.829 -29.101 -5.545 1.00 0.00 H new ATOM 0 HG3 ARG A 84 35.093 -27.722 -6.336 1.00 0.00 H new ATOM 0 HD2 ARG A 84 37.005 -27.205 -7.548 1.00 0.00 H new ATOM 0 HD3 ARG A 84 38.089 -27.857 -6.335 1.00 0.00 H new ATOM 0 HE ARG A 84 36.944 -29.280 -8.592 1.00 0.00 H new ATOM 0 HH11 ARG A 84 38.089 -29.627 -5.271 1.00 0.00 H new ATOM 0 HH12 ARG A 84 38.495 -31.335 -5.468 1.00 0.00 H new ATOM 0 HH21 ARG A 84 37.467 -31.474 -8.836 1.00 0.00 H new ATOM 0 HH22 ARG A 84 38.145 -32.376 -7.477 1.00 0.00 H new ATOM 1388 N LEU A 85 33.894 -25.303 -5.000 1.00 0.00 N ATOM 1389 CA LEU A 85 32.804 -24.770 -5.808 1.00 0.00 C ATOM 1390 C LEU A 85 31.462 -25.339 -5.357 1.00 0.00 C ATOM 1391 O LEU A 85 30.540 -25.492 -6.158 1.00 0.00 O ATOM 1392 CB LEU A 85 33.035 -25.090 -7.286 1.00 0.00 C ATOM 1393 CG LEU A 85 33.830 -24.053 -8.081 1.00 0.00 C ATOM 1394 CD1 LEU A 85 35.151 -23.749 -7.391 1.00 0.00 C ATOM 1395 CD2 LEU A 85 34.068 -24.539 -9.503 1.00 0.00 C ATOM 0 H LEU A 85 34.636 -24.633 -4.799 1.00 0.00 H new ATOM 0 HA LEU A 85 32.782 -23.688 -5.675 1.00 0.00 H new ATOM 0 HB2 LEU A 85 33.554 -26.046 -7.353 1.00 0.00 H new ATOM 0 HB3 LEU A 85 32.065 -25.220 -7.765 1.00 0.00 H new ATOM 0 HG LEU A 85 33.247 -23.133 -8.126 1.00 0.00 H new ATOM 0 HD11 LEU A 85 35.703 -23.009 -7.971 1.00 0.00 H new ATOM 0 HD12 LEU A 85 34.958 -23.357 -6.392 1.00 0.00 H new ATOM 0 HD13 LEU A 85 35.740 -24.663 -7.314 1.00 0.00 H new ATOM 0 HD21 LEU A 85 34.635 -23.789 -10.054 1.00 0.00 H new ATOM 0 HD22 LEU A 85 34.630 -25.473 -9.479 1.00 0.00 H new ATOM 0 HD23 LEU A 85 33.110 -24.704 -9.996 1.00 0.00 H new ATOM 1407 N VAL A 86 31.360 -25.648 -4.069 1.00 0.00 N ATOM 1408 CA VAL A 86 30.130 -26.197 -3.509 1.00 0.00 C ATOM 1409 C VAL A 86 29.809 -25.563 -2.161 1.00 0.00 C ATOM 1410 O VAL A 86 30.466 -25.846 -1.158 1.00 0.00 O ATOM 1411 CB VAL A 86 30.225 -27.724 -3.337 1.00 0.00 C ATOM 1412 CG1 VAL A 86 28.999 -28.257 -2.611 1.00 0.00 C ATOM 1413 CG2 VAL A 86 30.391 -28.403 -4.688 1.00 0.00 C ATOM 0 H VAL A 86 32.114 -25.528 -3.393 1.00 0.00 H new ATOM 0 HA VAL A 86 29.331 -25.967 -4.214 1.00 0.00 H new ATOM 0 HB VAL A 86 31.103 -27.950 -2.732 1.00 0.00 H new ATOM 0 HG11 VAL A 86 29.084 -29.338 -2.499 1.00 0.00 H new ATOM 0 HG12 VAL A 86 28.929 -27.794 -1.627 1.00 0.00 H new ATOM 0 HG13 VAL A 86 28.104 -28.021 -3.187 1.00 0.00 H new ATOM 0 HG21 VAL A 86 30.456 -29.482 -4.547 1.00 0.00 H new ATOM 0 HG22 VAL A 86 29.534 -28.171 -5.320 1.00 0.00 H new ATOM 0 HG23 VAL A 86 31.302 -28.044 -5.166 1.00 0.00 H new ATOM 1423 N TYR A 87 28.796 -24.705 -2.143 1.00 0.00 N ATOM 1424 CA TYR A 87 28.388 -24.028 -0.917 1.00 0.00 C ATOM 1425 C TYR A 87 26.988 -24.462 -0.495 1.00 0.00 C ATOM 1426 O TYR A 87 26.269 -25.109 -1.257 1.00 0.00 O ATOM 1427 CB TYR A 87 28.428 -22.511 -1.109 1.00 0.00 C ATOM 1428 CG TYR A 87 29.786 -21.988 -1.519 1.00 0.00 C ATOM 1429 CD1 TYR A 87 30.291 -22.231 -2.790 1.00 0.00 C ATOM 1430 CD2 TYR A 87 30.565 -21.253 -0.634 1.00 0.00 C ATOM 1431 CE1 TYR A 87 31.532 -21.756 -3.169 1.00 0.00 C ATOM 1432 CE2 TYR A 87 31.806 -20.772 -1.004 1.00 0.00 C ATOM 1433 CZ TYR A 87 32.285 -21.026 -2.273 1.00 0.00 C ATOM 1434 OH TYR A 87 33.522 -20.551 -2.645 1.00 0.00 O ATOM 0 H TYR A 87 28.241 -24.461 -2.964 1.00 0.00 H new ATOM 0 HA TYR A 87 29.088 -24.306 -0.129 1.00 0.00 H new ATOM 0 HB2 TYR A 87 27.696 -22.230 -1.866 1.00 0.00 H new ATOM 0 HB3 TYR A 87 28.127 -22.028 -0.180 1.00 0.00 H new ATOM 0 HD1 TYR A 87 29.703 -22.801 -3.494 1.00 0.00 H new ATOM 0 HD2 TYR A 87 30.194 -21.054 0.361 1.00 0.00 H new ATOM 0 HE1 TYR A 87 31.910 -21.955 -4.161 1.00 0.00 H new ATOM 0 HE2 TYR A 87 32.398 -20.201 -0.304 1.00 0.00 H new ATOM 0 HH TYR A 87 33.564 -20.478 -3.621 1.00 0.00 H new ATOM 1444 N LYS A 88 26.606 -24.101 0.725 1.00 0.00 N ATOM 1445 CA LYS A 88 25.291 -24.449 1.250 1.00 0.00 C ATOM 1446 C LYS A 88 24.801 -23.392 2.235 1.00 0.00 C ATOM 1447 O LYS A 88 25.503 -23.039 3.182 1.00 0.00 O ATOM 1448 CB LYS A 88 25.340 -25.817 1.936 1.00 0.00 C ATOM 1449 CG LYS A 88 24.069 -26.163 2.693 1.00 0.00 C ATOM 1450 CD LYS A 88 24.373 -26.904 3.984 1.00 0.00 C ATOM 1451 CE LYS A 88 23.252 -27.863 4.354 1.00 0.00 C ATOM 1452 NZ LYS A 88 23.342 -28.300 5.775 1.00 0.00 N ATOM 0 H LYS A 88 27.189 -23.567 1.369 1.00 0.00 H new ATOM 0 HA LYS A 88 24.593 -24.492 0.414 1.00 0.00 H new ATOM 0 HB2 LYS A 88 25.526 -26.585 1.185 1.00 0.00 H new ATOM 0 HB3 LYS A 88 26.182 -25.837 2.628 1.00 0.00 H new ATOM 0 HG2 LYS A 88 23.518 -25.250 2.918 1.00 0.00 H new ATOM 0 HG3 LYS A 88 23.425 -26.777 2.063 1.00 0.00 H new ATOM 0 HD2 LYS A 88 25.306 -27.457 3.876 1.00 0.00 H new ATOM 0 HD3 LYS A 88 24.520 -26.186 4.791 1.00 0.00 H new ATOM 0 HE2 LYS A 88 22.290 -27.380 4.183 1.00 0.00 H new ATOM 0 HE3 LYS A 88 23.291 -28.736 3.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 22.561 -28.952 5.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 24.249 -28.783 5.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 23.279 -27.470 6.398 1.00 0.00 H new ATOM 1466 N PHE A 89 23.591 -22.892 2.005 1.00 0.00 N ATOM 1467 CA PHE A 89 23.007 -21.876 2.873 1.00 0.00 C ATOM 1468 C PHE A 89 22.704 -22.449 4.254 1.00 0.00 C ATOM 1469 O PHE A 89 22.161 -23.545 4.378 1.00 0.00 O ATOM 1470 CB PHE A 89 21.727 -21.316 2.248 1.00 0.00 C ATOM 1471 CG PHE A 89 21.950 -20.647 0.922 1.00 0.00 C ATOM 1472 CD1 PHE A 89 22.381 -19.332 0.859 1.00 0.00 C ATOM 1473 CD2 PHE A 89 21.729 -21.333 -0.261 1.00 0.00 C ATOM 1474 CE1 PHE A 89 22.587 -18.713 -0.360 1.00 0.00 C ATOM 1475 CE2 PHE A 89 21.934 -20.720 -1.483 1.00 0.00 C ATOM 1476 CZ PHE A 89 22.363 -19.408 -1.532 1.00 0.00 C ATOM 0 H PHE A 89 22.996 -23.174 1.226 1.00 0.00 H new ATOM 0 HA PHE A 89 23.731 -21.069 2.985 1.00 0.00 H new ATOM 0 HB2 PHE A 89 21.010 -22.127 2.121 1.00 0.00 H new ATOM 0 HB3 PHE A 89 21.279 -20.599 2.937 1.00 0.00 H new ATOM 0 HD1 PHE A 89 22.558 -18.784 1.773 1.00 0.00 H new ATOM 0 HD2 PHE A 89 21.393 -22.359 -0.228 1.00 0.00 H new ATOM 0 HE1 PHE A 89 22.923 -17.687 -0.396 1.00 0.00 H new ATOM 0 HE2 PHE A 89 21.759 -21.266 -2.398 1.00 0.00 H new ATOM 0 HZ PHE A 89 22.523 -18.926 -2.485 1.00 0.00 H new ATOM 1486 N GLY A 90 23.060 -21.697 5.291 1.00 0.00 N ATOM 1487 CA GLY A 90 22.820 -22.145 6.650 1.00 0.00 C ATOM 1488 C GLY A 90 21.395 -21.892 7.100 1.00 0.00 C ATOM 1489 O GLY A 90 20.462 -21.948 6.298 1.00 0.00 O ATOM 0 H GLY A 90 23.511 -20.785 5.214 1.00 0.00 H new ATOM 0 HA2 GLY A 90 23.037 -23.211 6.722 1.00 0.00 H new ATOM 0 HA3 GLY A 90 23.507 -21.634 7.325 1.00 0.00 H new ATOM 1493 N LYS A 91 21.223 -21.614 8.388 1.00 0.00 N ATOM 1494 CA LYS A 91 19.902 -21.351 8.946 1.00 0.00 C ATOM 1495 C LYS A 91 19.584 -19.860 8.914 1.00 0.00 C ATOM 1496 O LYS A 91 18.420 -19.464 8.905 1.00 0.00 O ATOM 1497 CB LYS A 91 19.820 -21.871 10.383 1.00 0.00 C ATOM 1498 CG LYS A 91 20.880 -21.289 11.301 1.00 0.00 C ATOM 1499 CD LYS A 91 22.103 -22.188 11.381 1.00 0.00 C ATOM 1500 CE LYS A 91 22.616 -22.305 12.808 1.00 0.00 C ATOM 1501 NZ LYS A 91 22.206 -23.589 13.442 1.00 0.00 N ATOM 0 H LYS A 91 21.984 -21.565 9.066 1.00 0.00 H new ATOM 0 HA LYS A 91 19.166 -21.874 8.335 1.00 0.00 H new ATOM 0 HB2 LYS A 91 18.834 -21.641 10.788 1.00 0.00 H new ATOM 0 HB3 LYS A 91 19.916 -22.957 10.374 1.00 0.00 H new ATOM 0 HG2 LYS A 91 21.175 -20.304 10.940 1.00 0.00 H new ATOM 0 HG3 LYS A 91 20.463 -21.151 12.299 1.00 0.00 H new ATOM 0 HD2 LYS A 91 21.853 -23.178 11.001 1.00 0.00 H new ATOM 0 HD3 LYS A 91 22.891 -21.790 10.741 1.00 0.00 H new ATOM 0 HE2 LYS A 91 23.703 -22.230 12.810 1.00 0.00 H new ATOM 0 HE3 LYS A 91 22.238 -21.471 13.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 22.575 -23.630 14.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 21.168 -23.650 13.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 22.588 -24.385 12.893 1.00 0.00 H new ATOM 1515 N ASN A 92 20.628 -19.037 8.895 1.00 0.00 N ATOM 1516 CA ASN A 92 20.460 -17.589 8.864 1.00 0.00 C ATOM 1517 C ASN A 92 19.790 -17.148 7.566 1.00 0.00 C ATOM 1518 O ASN A 92 19.056 -16.160 7.539 1.00 0.00 O ATOM 1519 CB ASN A 92 21.815 -16.894 9.013 1.00 0.00 C ATOM 1520 CG ASN A 92 22.084 -16.453 10.439 1.00 0.00 C ATOM 1521 OD1 ASN A 92 22.325 -15.274 10.701 1.00 0.00 O ATOM 1522 ND2 ASN A 92 22.044 -17.400 11.369 1.00 0.00 N ATOM 0 H ASN A 92 21.599 -19.349 8.901 1.00 0.00 H new ATOM 0 HA ASN A 92 19.820 -17.304 9.699 1.00 0.00 H new ATOM 0 HB2 ASN A 92 22.605 -17.571 8.690 1.00 0.00 H new ATOM 0 HB3 ASN A 92 21.850 -16.026 8.354 1.00 0.00 H new ATOM 0 HD21 ASN A 92 22.217 -17.163 12.346 1.00 0.00 H new ATOM 0 HD22 ASN A 92 21.840 -18.364 11.106 1.00 0.00 H new ATOM 1529 N ALA A 93 20.048 -17.887 6.492 1.00 0.00 N ATOM 1530 CA ALA A 93 19.468 -17.574 5.192 1.00 0.00 C ATOM 1531 C ALA A 93 17.991 -17.950 5.145 1.00 0.00 C ATOM 1532 O ALA A 93 17.543 -18.839 5.870 1.00 0.00 O ATOM 1533 CB ALA A 93 20.232 -18.289 4.087 1.00 0.00 C ATOM 0 H ALA A 93 20.655 -18.707 6.497 1.00 0.00 H new ATOM 0 HA ALA A 93 19.547 -16.498 5.036 1.00 0.00 H new ATOM 0 HB1 ALA A 93 19.788 -18.046 3.122 1.00 0.00 H new ATOM 0 HB2 ALA A 93 21.274 -17.968 4.098 1.00 0.00 H new ATOM 0 HB3 ALA A 93 20.183 -19.366 4.248 1.00 0.00 H new ATOM 1539 N HIS A 94 17.238 -17.268 4.288 1.00 0.00 N ATOM 1540 CA HIS A 94 15.810 -17.531 4.146 1.00 0.00 C ATOM 1541 C HIS A 94 15.390 -17.474 2.681 1.00 0.00 C ATOM 1542 O HIS A 94 16.138 -16.997 1.828 1.00 0.00 O ATOM 1543 CB HIS A 94 15.001 -16.521 4.961 1.00 0.00 C ATOM 1544 CG HIS A 94 15.242 -15.098 4.560 1.00 0.00 C ATOM 1545 ND1 HIS A 94 15.397 -14.075 5.472 1.00 0.00 N ATOM 1546 CD2 HIS A 94 15.356 -14.530 3.337 1.00 0.00 C ATOM 1547 CE1 HIS A 94 15.594 -12.939 4.827 1.00 0.00 C ATOM 1548 NE2 HIS A 94 15.574 -13.188 3.530 1.00 0.00 N ATOM 0 H HIS A 94 17.593 -16.529 3.681 1.00 0.00 H new ATOM 0 HA HIS A 94 15.611 -18.534 4.523 1.00 0.00 H new ATOM 0 HB2 HIS A 94 13.940 -16.746 4.853 1.00 0.00 H new ATOM 0 HB3 HIS A 94 15.246 -16.639 6.017 1.00 0.00 H new ATOM 0 HD2 HIS A 94 15.288 -15.038 2.386 1.00 0.00 H new ATOM 0 HE1 HIS A 94 15.746 -11.972 5.283 1.00 0.00 H new ATOM 0 HE2 HIS A 94 15.700 -12.496 2.792 1.00 0.00 H new ATOM 1556 N GLY A 95 14.187 -17.964 2.395 1.00 0.00 N ATOM 1557 CA GLY A 95 13.689 -17.960 1.033 1.00 0.00 C ATOM 1558 C GLY A 95 13.919 -19.282 0.327 1.00 0.00 C ATOM 1559 O GLY A 95 13.063 -19.750 -0.424 1.00 0.00 O ATOM 0 H GLY A 95 13.549 -18.364 3.083 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.622 -17.736 1.040 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.178 -17.163 0.473 1.00 0.00 H new ATOM 1563 N TRP A 96 15.077 -19.886 0.568 1.00 0.00 N ATOM 1564 CA TRP A 96 15.417 -21.162 -0.052 1.00 0.00 C ATOM 1565 C TRP A 96 14.857 -22.326 0.758 1.00 0.00 C ATOM 1566 O TRP A 96 14.426 -23.332 0.196 1.00 0.00 O ATOM 1567 CB TRP A 96 16.935 -21.299 -0.183 1.00 0.00 C ATOM 1568 CG TRP A 96 17.611 -21.675 1.100 1.00 0.00 C ATOM 1569 CD1 TRP A 96 18.234 -20.832 1.976 1.00 0.00 C ATOM 1570 CD2 TRP A 96 17.733 -22.991 1.652 1.00 0.00 C ATOM 1571 NE1 TRP A 96 18.736 -21.544 3.038 1.00 0.00 N ATOM 1572 CE2 TRP A 96 18.442 -22.870 2.863 1.00 0.00 C ATOM 1573 CE3 TRP A 96 17.312 -24.258 1.241 1.00 0.00 C ATOM 1574 CZ2 TRP A 96 18.737 -23.970 3.664 1.00 0.00 C ATOM 1575 CZ3 TRP A 96 17.606 -25.348 2.037 1.00 0.00 C ATOM 1576 CH2 TRP A 96 18.313 -25.199 3.238 1.00 0.00 C ATOM 0 H TRP A 96 15.796 -19.513 1.188 1.00 0.00 H new ATOM 0 HA TRP A 96 14.970 -21.187 -1.046 1.00 0.00 H new ATOM 0 HB2 TRP A 96 17.161 -22.052 -0.938 1.00 0.00 H new ATOM 0 HB3 TRP A 96 17.348 -20.356 -0.540 1.00 0.00 H new ATOM 0 HD1 TRP A 96 18.319 -19.763 1.852 1.00 0.00 H new ATOM 0 HE1 TRP A 96 19.245 -21.149 3.829 1.00 0.00 H new ATOM 0 HE3 TRP A 96 16.766 -24.383 0.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 19.282 -23.857 4.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 17.286 -26.332 1.729 1.00 0.00 H new ATOM 0 HH2 TRP A 96 18.527 -26.071 3.838 1.00 0.00 H new ATOM 1587 N GLN A 97 14.867 -22.182 2.079 1.00 0.00 N ATOM 1588 CA GLN A 97 14.360 -23.224 2.964 1.00 0.00 C ATOM 1589 C GLN A 97 12.945 -23.633 2.569 1.00 0.00 C ATOM 1590 O GLN A 97 12.247 -22.895 1.874 1.00 0.00 O ATOM 1591 CB GLN A 97 14.377 -22.742 4.416 1.00 0.00 C ATOM 1592 CG GLN A 97 15.412 -23.445 5.278 1.00 0.00 C ATOM 1593 CD GLN A 97 15.709 -22.695 6.562 1.00 0.00 C ATOM 1594 OE1 GLN A 97 15.168 -23.015 7.621 1.00 0.00 O ATOM 1595 NE2 GLN A 97 16.573 -21.690 6.474 1.00 0.00 N ATOM 0 H GLN A 97 15.220 -21.355 2.560 1.00 0.00 H new ATOM 0 HA GLN A 97 15.010 -24.094 2.869 1.00 0.00 H new ATOM 0 HB2 GLN A 97 14.571 -21.670 4.432 1.00 0.00 H new ATOM 0 HB3 GLN A 97 13.390 -22.894 4.852 1.00 0.00 H new ATOM 0 HG2 GLN A 97 15.057 -24.447 5.521 1.00 0.00 H new ATOM 0 HG3 GLN A 97 16.334 -23.562 4.709 1.00 0.00 H new ATOM 0 HE21 GLN A 97 16.998 -21.460 5.576 1.00 0.00 H new ATOM 0 HE22 GLN A 97 16.812 -21.149 7.305 1.00 0.00 H new