USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 870 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 108 HIS : no HE2:sc= -1.16 K(o=-0.49,f=-9.4!) USER MOD Set 1.2: A 112 SER OG : rot -160:sc= 0.674 USER MOD Set 2.1: A 89 TYR OH : rot 180:sc= 0.979 USER MOD Set 2.2: A 95 TYR OH : rot 150:sc= 1.23 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot -150:sc= -0.128 USER MOD Single : A 19 LYS NZ :NH3+ 147:sc= 0.263 (180deg=0.00921) USER MOD Single : A 20 SER OG : rot 65:sc= -0.425 USER MOD Single : A 28 LYS NZ :NH3+ 132:sc= -0.845 (180deg=-2.76!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0.0191 X(o=0.019,f=-0.041) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -4.07 K(o=-4.1,f=-5.7!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 8:sc= 0.531 USER MOD Single : A 52 SER OG : rot 73:sc= 0.117 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00457) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.495 K(o=-0.5,f=-7.1!) USER MOD Single : A 71 THR OG1 : rot 110:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -2.04 K(o=-2,f=-9.4!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 32:sc= 0.425 USER MOD Single : A 91 MET CE :methyl -176:sc= -1.22! (180deg=-1.29!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.556 K(o=-0.56,f=-2.2!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -133:sc= -0.813 (180deg=-3.68!) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 TYR OH : rot 0:sc= -0.254 USER MOD Single : A 117 LYS NZ :NH3+ 164:sc= -0.022 (180deg=-0.278) USER MOD ----------------------------------------------------------------- ATOM 109 N GLU A 12 9.177 25.695 -0.175 1.00 0.00 N ATOM 110 CA GLU A 12 8.575 24.855 -1.203 1.00 0.00 C ATOM 111 C GLU A 12 7.253 24.265 -0.719 1.00 0.00 C ATOM 112 O GLU A 12 6.938 24.316 0.470 1.00 0.00 O ATOM 113 CB GLU A 12 9.533 23.729 -1.600 1.00 0.00 C ATOM 114 CG GLU A 12 9.727 22.684 -0.514 1.00 0.00 C ATOM 115 CD GLU A 12 10.829 21.696 -0.845 1.00 0.00 C ATOM 116 OE1 GLU A 12 12.012 22.035 -0.631 1.00 0.00 O ATOM 117 OE2 GLU A 12 10.508 20.586 -1.318 1.00 0.00 O ATOM 0 HA GLU A 12 8.378 25.479 -2.075 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.155 23.241 -2.498 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.501 24.160 -1.855 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.961 23.182 0.427 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.792 22.143 -0.364 1.00 0.00 H new ATOM 124 N ARG A 13 6.485 23.708 -1.649 1.00 0.00 N ATOM 125 CA ARG A 13 5.197 23.111 -1.319 1.00 0.00 C ATOM 126 C ARG A 13 5.335 22.127 -0.160 1.00 0.00 C ATOM 127 O ARG A 13 6.440 21.855 0.306 1.00 0.00 O ATOM 128 CB ARG A 13 4.612 22.398 -2.540 1.00 0.00 C ATOM 129 CG ARG A 13 4.411 23.310 -3.739 1.00 0.00 C ATOM 130 CD ARG A 13 4.385 22.523 -5.039 1.00 0.00 C ATOM 131 NE ARG A 13 3.730 23.263 -6.114 1.00 0.00 N ATOM 132 CZ ARG A 13 4.343 24.178 -6.857 1.00 0.00 C ATOM 133 NH1 ARG A 13 5.620 24.464 -6.642 1.00 0.00 N ATOM 134 NH2 ARG A 13 3.679 24.809 -7.817 1.00 0.00 N ATOM 0 H ARG A 13 6.732 23.658 -2.637 1.00 0.00 H new ATOM 0 HA ARG A 13 4.521 23.911 -1.016 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.273 21.579 -2.824 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.655 21.954 -2.267 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.477 23.860 -3.627 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.213 24.048 -3.775 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.405 22.280 -5.336 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.865 21.578 -4.880 1.00 0.00 H new ATOM 0 HE ARG A 13 2.747 23.067 -6.305 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.134 23.981 -5.905 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.088 25.167 -7.214 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.697 24.592 -7.985 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.151 25.511 -8.387 1.00 0.00 H new ATOM 148 N GLN A 14 4.205 21.600 0.299 1.00 0.00 N ATOM 149 CA GLN A 14 4.200 20.648 1.404 1.00 0.00 C ATOM 150 C GLN A 14 3.469 19.367 1.016 1.00 0.00 C ATOM 151 O GLN A 14 2.243 19.351 0.899 1.00 0.00 O ATOM 152 CB GLN A 14 3.544 21.270 2.638 1.00 0.00 C ATOM 153 CG GLN A 14 4.180 22.583 3.068 1.00 0.00 C ATOM 154 CD GLN A 14 4.080 22.817 4.563 1.00 0.00 C ATOM 155 OE1 GLN A 14 3.008 22.680 5.154 1.00 0.00 O ATOM 156 NE2 GLN A 14 5.199 23.174 5.183 1.00 0.00 N ATOM 0 H GLN A 14 3.281 21.816 -0.077 1.00 0.00 H new ATOM 0 HA GLN A 14 5.234 20.397 1.639 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.487 21.438 2.432 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.599 20.561 3.464 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.229 22.588 2.772 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.697 23.406 2.542 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.065 23.276 4.654 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.192 23.346 6.188 1.00 0.00 H new ATOM 165 N LEU A 15 4.228 18.295 0.818 1.00 0.00 N ATOM 166 CA LEU A 15 3.652 17.009 0.443 1.00 0.00 C ATOM 167 C LEU A 15 2.411 16.704 1.276 1.00 0.00 C ATOM 168 O LEU A 15 2.464 16.698 2.506 1.00 0.00 O ATOM 169 CB LEU A 15 4.685 15.895 0.618 1.00 0.00 C ATOM 170 CG LEU A 15 4.149 14.464 0.548 1.00 0.00 C ATOM 171 CD1 LEU A 15 3.295 14.275 -0.696 1.00 0.00 C ATOM 172 CD2 LEU A 15 5.294 13.463 0.568 1.00 0.00 C ATOM 0 H LEU A 15 5.244 18.291 0.911 1.00 0.00 H new ATOM 0 HA LEU A 15 3.358 17.062 -0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.450 16.013 -0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.176 16.031 1.581 1.00 0.00 H new ATOM 0 HG LEU A 15 3.524 14.287 1.424 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.922 13.251 -0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.453 14.967 -0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.897 14.471 -1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.893 12.451 0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.946 13.638 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.865 13.582 1.489 1.00 0.00 H new ATOM 184 N SER A 16 1.297 16.449 0.598 1.00 0.00 N ATOM 185 CA SER A 16 0.042 16.144 1.275 1.00 0.00 C ATOM 186 C SER A 16 -0.393 14.709 0.994 1.00 0.00 C ATOM 187 O SER A 16 -0.863 14.378 -0.095 1.00 0.00 O ATOM 188 CB SER A 16 -1.051 17.117 0.831 1.00 0.00 C ATOM 189 OG SER A 16 -2.144 17.104 1.734 1.00 0.00 O ATOM 0 H SER A 16 1.238 16.448 -0.420 1.00 0.00 H new ATOM 0 HA SER A 16 0.201 16.253 2.348 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.641 18.125 0.766 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.397 16.849 -0.167 1.00 0.00 H new ATOM 0 HG SER A 16 -2.970 17.315 1.251 1.00 0.00 H new ATOM 195 N PRO A 17 -0.232 13.835 1.998 1.00 0.00 N ATOM 196 CA PRO A 17 -0.602 12.421 1.884 1.00 0.00 C ATOM 197 C PRO A 17 -2.112 12.220 1.821 1.00 0.00 C ATOM 198 O PRO A 17 -2.601 11.345 1.108 1.00 0.00 O ATOM 199 CB PRO A 17 -0.033 11.802 3.163 1.00 0.00 C ATOM 200 CG PRO A 17 0.029 12.929 4.135 1.00 0.00 C ATOM 201 CD PRO A 17 0.323 14.160 3.323 1.00 0.00 C ATOM 0 HA PRO A 17 -0.217 11.971 0.969 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.670 10.997 3.530 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.954 11.374 2.990 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.913 13.032 4.673 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.805 12.759 4.881 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.148 15.045 3.750 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.393 14.362 3.272 1.00 0.00 H new ATOM 209 N GLU A 18 -2.845 13.038 2.571 1.00 0.00 N ATOM 210 CA GLU A 18 -4.300 12.948 2.599 1.00 0.00 C ATOM 211 C GLU A 18 -4.891 13.265 1.228 1.00 0.00 C ATOM 212 O GLU A 18 -5.819 12.598 0.769 1.00 0.00 O ATOM 213 CB GLU A 18 -4.872 13.905 3.647 1.00 0.00 C ATOM 214 CG GLU A 18 -4.420 15.344 3.468 1.00 0.00 C ATOM 215 CD GLU A 18 -4.673 16.193 4.699 1.00 0.00 C ATOM 216 OE1 GLU A 18 -5.781 16.757 4.812 1.00 0.00 O ATOM 217 OE2 GLU A 18 -3.764 16.292 5.549 1.00 0.00 O ATOM 0 H GLU A 18 -2.455 13.769 3.166 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.571 11.926 2.865 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.961 13.867 3.606 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.579 13.562 4.639 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.356 15.360 3.233 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.941 15.781 2.616 1.00 0.00 H new ATOM 224 N LYS A 19 -4.348 14.289 0.579 1.00 0.00 N ATOM 225 CA LYS A 19 -4.819 14.696 -0.740 1.00 0.00 C ATOM 226 C LYS A 19 -4.478 13.643 -1.789 1.00 0.00 C ATOM 227 O LYS A 19 -5.304 13.311 -2.640 1.00 0.00 O ATOM 228 CB LYS A 19 -4.201 16.041 -1.132 1.00 0.00 C ATOM 229 CG LYS A 19 -4.968 17.240 -0.603 1.00 0.00 C ATOM 230 CD LYS A 19 -6.255 17.467 -1.379 1.00 0.00 C ATOM 231 CE LYS A 19 -6.941 18.756 -0.956 1.00 0.00 C ATOM 232 NZ LYS A 19 -7.716 19.364 -2.074 1.00 0.00 N ATOM 0 H LYS A 19 -3.581 14.853 0.945 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.903 14.800 -0.695 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.177 16.083 -0.761 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.149 16.104 -2.219 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.200 17.088 0.451 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.342 18.130 -0.667 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.036 17.504 -2.446 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.930 16.626 -1.221 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.609 18.554 -0.119 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.193 19.467 -0.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.556 19.844 -1.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.120 20.054 -2.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.013 18.619 -2.736 1.00 0.00 H new ATOM 246 N SER A 20 -3.258 13.120 -1.721 1.00 0.00 N ATOM 247 CA SER A 20 -2.808 12.106 -2.667 1.00 0.00 C ATOM 248 C SER A 20 -3.956 11.181 -3.060 1.00 0.00 C ATOM 249 O SER A 20 -4.848 10.908 -2.258 1.00 0.00 O ATOM 250 CB SER A 20 -1.663 11.289 -2.064 1.00 0.00 C ATOM 251 OG SER A 20 -0.476 12.058 -1.982 1.00 0.00 O ATOM 0 H SER A 20 -2.564 13.382 -1.021 1.00 0.00 H new ATOM 0 HA SER A 20 -2.451 12.613 -3.563 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.944 10.941 -1.070 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.485 10.403 -2.673 1.00 0.00 H new ATOM 0 HG SER A 20 -0.609 12.800 -1.356 1.00 0.00 H new ATOM 257 N GLU A 21 -3.925 10.703 -4.300 1.00 0.00 N ATOM 258 CA GLU A 21 -4.963 9.809 -4.799 1.00 0.00 C ATOM 259 C GLU A 21 -4.372 8.464 -5.210 1.00 0.00 C ATOM 260 O GLU A 21 -3.512 8.395 -6.089 1.00 0.00 O ATOM 261 CB GLU A 21 -5.686 10.446 -5.988 1.00 0.00 C ATOM 262 CG GLU A 21 -6.258 11.821 -5.688 1.00 0.00 C ATOM 263 CD GLU A 21 -7.647 11.755 -5.081 1.00 0.00 C ATOM 264 OE1 GLU A 21 -7.754 11.453 -3.874 1.00 0.00 O ATOM 265 OE2 GLU A 21 -8.626 12.007 -5.814 1.00 0.00 O ATOM 0 H GLU A 21 -3.193 10.920 -4.977 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.679 9.640 -3.995 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.992 10.525 -6.824 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.494 9.787 -6.306 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.591 12.347 -5.004 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.295 12.404 -6.608 1.00 0.00 H new ATOM 272 N ILE A 22 -4.839 7.398 -4.568 1.00 0.00 N ATOM 273 CA ILE A 22 -4.358 6.056 -4.867 1.00 0.00 C ATOM 274 C ILE A 22 -5.402 5.256 -5.638 1.00 0.00 C ATOM 275 O ILE A 22 -6.525 5.069 -5.169 1.00 0.00 O ATOM 276 CB ILE A 22 -3.988 5.291 -3.582 1.00 0.00 C ATOM 277 CG1 ILE A 22 -2.936 6.067 -2.787 1.00 0.00 C ATOM 278 CG2 ILE A 22 -3.481 3.898 -3.922 1.00 0.00 C ATOM 279 CD1 ILE A 22 -2.642 5.468 -1.429 1.00 0.00 C ATOM 0 H ILE A 22 -5.550 7.439 -3.838 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.465 6.171 -5.482 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.882 5.190 -2.966 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.013 6.108 -3.365 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.276 7.094 -2.656 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.224 3.370 -3.004 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.258 3.347 -4.452 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.597 3.977 -4.555 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.888 6.069 -0.922 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.555 5.452 -0.833 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.272 4.450 -1.553 1.00 0.00 H new ATOM 291 N TRP A 23 -5.024 4.785 -6.821 1.00 0.00 N ATOM 292 CA TRP A 23 -5.929 4.003 -7.656 1.00 0.00 C ATOM 293 C TRP A 23 -5.332 2.636 -7.973 1.00 0.00 C ATOM 294 O TRP A 23 -4.134 2.416 -7.799 1.00 0.00 O ATOM 295 CB TRP A 23 -6.234 4.753 -8.954 1.00 0.00 C ATOM 296 CG TRP A 23 -5.074 4.796 -9.902 1.00 0.00 C ATOM 297 CD1 TRP A 23 -4.733 3.848 -10.824 1.00 0.00 C ATOM 298 CD2 TRP A 23 -4.101 5.840 -10.019 1.00 0.00 C ATOM 299 NE1 TRP A 23 -3.607 4.240 -11.507 1.00 0.00 N ATOM 300 CE2 TRP A 23 -3.201 5.459 -11.033 1.00 0.00 C ATOM 301 CE3 TRP A 23 -3.905 7.061 -9.368 1.00 0.00 C ATOM 302 CZ2 TRP A 23 -2.121 6.255 -11.407 1.00 0.00 C ATOM 303 CZ3 TRP A 23 -2.833 7.849 -9.740 1.00 0.00 C ATOM 304 CH2 TRP A 23 -1.953 7.445 -10.753 1.00 0.00 C ATOM 0 H TRP A 23 -4.098 4.931 -7.223 1.00 0.00 H new ATOM 0 HA TRP A 23 -6.857 3.855 -7.103 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -7.081 4.278 -9.449 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -6.536 5.773 -8.714 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -5.269 2.926 -10.992 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -3.148 3.709 -12.247 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -4.579 7.383 -8.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -1.440 5.944 -12.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -2.670 8.793 -9.241 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.126 8.085 -11.023 1.00 0.00 H new ATOM 315 N GLY A 24 -6.175 1.720 -8.439 1.00 0.00 N ATOM 316 CA GLY A 24 -5.712 0.386 -8.772 1.00 0.00 C ATOM 317 C GLY A 24 -6.815 -0.650 -8.685 1.00 0.00 C ATOM 318 O GLY A 24 -7.794 -0.486 -7.957 1.00 0.00 O ATOM 0 H GLY A 24 -7.171 1.878 -8.592 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.300 0.389 -9.781 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.902 0.107 -8.098 1.00 0.00 H new ATOM 322 N PRO A 25 -6.663 -1.747 -9.443 1.00 0.00 N ATOM 323 CA PRO A 25 -7.646 -2.835 -9.466 1.00 0.00 C ATOM 324 C PRO A 25 -7.671 -3.621 -8.160 1.00 0.00 C ATOM 325 O PRO A 25 -8.716 -4.121 -7.745 1.00 0.00 O ATOM 326 CB PRO A 25 -7.164 -3.723 -10.616 1.00 0.00 C ATOM 327 CG PRO A 25 -5.702 -3.452 -10.717 1.00 0.00 C ATOM 328 CD PRO A 25 -5.521 -2.010 -10.334 1.00 0.00 C ATOM 0 HA PRO A 25 -8.663 -2.464 -9.593 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.358 -4.776 -10.411 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.677 -3.479 -11.546 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.137 -4.106 -10.053 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -5.340 -3.635 -11.729 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.570 -1.845 -9.827 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.534 -1.358 -11.207 1.00 0.00 H new ATOM 336 N GLY A 26 -6.513 -3.726 -7.515 1.00 0.00 N ATOM 337 CA GLY A 26 -6.425 -4.453 -6.262 1.00 0.00 C ATOM 338 C GLY A 26 -7.649 -4.255 -5.390 1.00 0.00 C ATOM 339 O GLY A 26 -8.045 -5.156 -4.649 1.00 0.00 O ATOM 0 H GLY A 26 -5.634 -3.321 -7.838 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.299 -5.516 -6.470 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.538 -4.127 -5.718 1.00 0.00 H new ATOM 343 N LEU A 27 -8.249 -3.073 -5.475 1.00 0.00 N ATOM 344 CA LEU A 27 -9.435 -2.759 -4.686 1.00 0.00 C ATOM 345 C LEU A 27 -10.692 -3.316 -5.346 1.00 0.00 C ATOM 346 O LEU A 27 -11.558 -3.882 -4.679 1.00 0.00 O ATOM 347 CB LEU A 27 -9.567 -1.245 -4.508 1.00 0.00 C ATOM 348 CG LEU A 27 -8.278 -0.494 -4.174 1.00 0.00 C ATOM 349 CD1 LEU A 27 -8.515 1.008 -4.192 1.00 0.00 C ATOM 350 CD2 LEU A 27 -7.741 -0.934 -2.820 1.00 0.00 C ATOM 0 H LEU A 27 -7.934 -2.316 -6.082 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.324 -3.226 -3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.981 -0.826 -5.425 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.291 -1.054 -3.716 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.534 -0.733 -4.934 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.586 1.526 -3.952 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.854 1.311 -5.183 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.275 1.265 -3.454 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.823 -0.389 -2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.483 -0.725 -2.049 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.532 -2.004 -2.842 1.00 0.00 H new ATOM 362 N LYS A 28 -10.785 -3.153 -6.662 1.00 0.00 N ATOM 363 CA LYS A 28 -11.934 -3.643 -7.415 1.00 0.00 C ATOM 364 C LYS A 28 -12.281 -5.072 -7.010 1.00 0.00 C ATOM 365 O LYS A 28 -11.494 -5.747 -6.348 1.00 0.00 O ATOM 366 CB LYS A 28 -11.649 -3.581 -8.917 1.00 0.00 C ATOM 367 CG LYS A 28 -11.369 -2.178 -9.426 1.00 0.00 C ATOM 368 CD LYS A 28 -12.654 -1.440 -9.762 1.00 0.00 C ATOM 369 CE LYS A 28 -13.227 -1.897 -11.095 1.00 0.00 C ATOM 370 NZ LYS A 28 -14.155 -3.050 -10.934 1.00 0.00 N ATOM 0 H LYS A 28 -10.078 -2.685 -7.229 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.786 -3.003 -7.187 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.793 -4.218 -9.142 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.502 -3.991 -9.457 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.815 -1.620 -8.671 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.736 -2.231 -10.312 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.387 -1.607 -8.973 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.461 -0.368 -9.796 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.756 -1.068 -11.566 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.413 -2.177 -11.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -15.032 -2.866 -11.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.704 -3.912 -11.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.378 -3.178 -9.926 1.00 0.00 H new ATOM 384 N ALA A 29 -13.462 -5.527 -7.415 1.00 0.00 N ATOM 385 CA ALA A 29 -13.911 -6.877 -7.098 1.00 0.00 C ATOM 386 C ALA A 29 -13.039 -7.921 -7.787 1.00 0.00 C ATOM 387 O ALA A 29 -12.247 -8.607 -7.141 1.00 0.00 O ATOM 388 CB ALA A 29 -15.368 -7.056 -7.496 1.00 0.00 C ATOM 0 H ALA A 29 -14.125 -4.980 -7.964 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.821 -7.020 -6.021 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.690 -8.069 -7.253 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -15.984 -6.340 -6.953 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -15.476 -6.888 -8.568 1.00 0.00 H new ATOM 394 N ASP A 30 -13.191 -8.036 -9.102 1.00 0.00 N ATOM 395 CA ASP A 30 -12.417 -8.997 -9.880 1.00 0.00 C ATOM 396 C ASP A 30 -10.954 -8.575 -9.965 1.00 0.00 C ATOM 397 O ASP A 30 -10.532 -7.955 -10.941 1.00 0.00 O ATOM 398 CB ASP A 30 -13.003 -9.137 -11.285 1.00 0.00 C ATOM 399 CG ASP A 30 -14.519 -9.090 -11.289 1.00 0.00 C ATOM 400 OD1 ASP A 30 -15.134 -9.722 -10.405 1.00 0.00 O ATOM 401 OD2 ASP A 30 -15.089 -8.420 -12.175 1.00 0.00 O ATOM 0 H ASP A 30 -13.843 -7.476 -9.651 1.00 0.00 H new ATOM 0 HA ASP A 30 -12.469 -9.962 -9.375 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.616 -8.338 -11.918 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -12.671 -10.079 -11.722 1.00 0.00 H new ATOM 406 N VAL A 31 -10.184 -8.914 -8.935 1.00 0.00 N ATOM 407 CA VAL A 31 -8.768 -8.570 -8.893 1.00 0.00 C ATOM 408 C VAL A 31 -7.917 -9.672 -9.515 1.00 0.00 C ATOM 409 O VAL A 31 -8.439 -10.675 -10.000 1.00 0.00 O ATOM 410 CB VAL A 31 -8.293 -8.322 -7.449 1.00 0.00 C ATOM 411 CG1 VAL A 31 -9.151 -7.258 -6.780 1.00 0.00 C ATOM 412 CG2 VAL A 31 -8.317 -9.617 -6.651 1.00 0.00 C ATOM 0 H VAL A 31 -10.518 -9.427 -8.119 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.647 -7.653 -9.469 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.265 -7.960 -7.480 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.801 -7.096 -5.761 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.078 -6.326 -7.341 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.189 -7.588 -6.759 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.978 -9.423 -5.633 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.333 -10.011 -6.627 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.657 -10.346 -7.121 1.00 0.00 H new ATOM 422 N VAL A 32 -6.602 -9.478 -9.495 1.00 0.00 N ATOM 423 CA VAL A 32 -5.676 -10.455 -10.055 1.00 0.00 C ATOM 424 C VAL A 32 -5.656 -11.733 -9.223 1.00 0.00 C ATOM 425 O VAL A 32 -6.135 -11.755 -8.088 1.00 0.00 O ATOM 426 CB VAL A 32 -4.246 -9.890 -10.141 1.00 0.00 C ATOM 427 CG1 VAL A 32 -4.149 -8.852 -11.249 1.00 0.00 C ATOM 428 CG2 VAL A 32 -3.827 -9.296 -8.805 1.00 0.00 C ATOM 0 H VAL A 32 -6.154 -8.653 -9.097 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.029 -10.684 -11.061 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.564 -10.707 -10.379 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.132 -8.463 -11.295 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.405 -9.313 -12.203 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.840 -8.035 -11.044 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.814 -8.901 -8.884 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.510 -8.491 -8.535 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.856 -10.070 -8.038 1.00 0.00 H new ATOM 438 N LEU A 33 -5.099 -12.795 -9.793 1.00 0.00 N ATOM 439 CA LEU A 33 -5.015 -14.078 -9.103 1.00 0.00 C ATOM 440 C LEU A 33 -3.882 -14.074 -8.083 1.00 0.00 C ATOM 441 O LEU A 33 -4.100 -14.173 -6.875 1.00 0.00 O ATOM 442 CB LEU A 33 -4.805 -15.208 -10.112 1.00 0.00 C ATOM 443 CG LEU A 33 -6.065 -15.949 -10.562 1.00 0.00 C ATOM 444 CD1 LEU A 33 -5.758 -16.852 -11.746 1.00 0.00 C ATOM 445 CD2 LEU A 33 -6.648 -16.756 -9.411 1.00 0.00 C ATOM 0 H LEU A 33 -4.699 -12.794 -10.731 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.954 -14.241 -8.574 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.316 -14.794 -10.994 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.117 -15.933 -9.677 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.805 -15.212 -10.875 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.666 -17.371 -12.053 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.386 -16.251 -12.576 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.001 -17.583 -11.460 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.544 -17.277 -9.749 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.913 -17.484 -9.068 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.905 -16.086 -8.591 1.00 0.00 H new ATOM 457 N PRO A 34 -2.640 -13.956 -8.577 1.00 0.00 N ATOM 458 CA PRO A 34 -1.448 -13.933 -7.724 1.00 0.00 C ATOM 459 C PRO A 34 -1.348 -12.654 -6.901 1.00 0.00 C ATOM 460 O PRO A 34 -1.872 -12.577 -5.790 1.00 0.00 O ATOM 461 CB PRO A 34 -0.294 -14.016 -8.727 1.00 0.00 C ATOM 462 CG PRO A 34 -0.850 -13.457 -9.991 1.00 0.00 C ATOM 463 CD PRO A 34 -2.305 -13.833 -10.005 1.00 0.00 C ATOM 0 HA PRO A 34 -1.454 -14.741 -6.992 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.569 -13.443 -8.386 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.040 -15.045 -8.862 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.726 -12.375 -10.027 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.333 -13.866 -10.859 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.912 -13.072 -10.496 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.473 -14.768 -10.539 1.00 0.00 H new ATOM 471 N ALA A 35 -0.671 -11.652 -7.452 1.00 0.00 N ATOM 472 CA ALA A 35 -0.505 -10.375 -6.769 1.00 0.00 C ATOM 473 C ALA A 35 -0.946 -9.216 -7.657 1.00 0.00 C ATOM 474 O ALA A 35 -1.028 -9.353 -8.878 1.00 0.00 O ATOM 475 CB ALA A 35 0.942 -10.192 -6.338 1.00 0.00 C ATOM 0 H ALA A 35 -0.228 -11.700 -8.370 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.139 -10.380 -5.882 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.052 -9.234 -5.829 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.224 -10.997 -5.660 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.588 -10.213 -7.215 1.00 0.00 H new ATOM 481 N ARG A 36 -1.229 -8.076 -7.036 1.00 0.00 N ATOM 482 CA ARG A 36 -1.663 -6.893 -7.770 1.00 0.00 C ATOM 483 C ARG A 36 -0.625 -5.780 -7.671 1.00 0.00 C ATOM 484 O ARG A 36 0.261 -5.818 -6.817 1.00 0.00 O ATOM 485 CB ARG A 36 -3.008 -6.400 -7.234 1.00 0.00 C ATOM 486 CG ARG A 36 -2.964 -5.976 -5.775 1.00 0.00 C ATOM 487 CD ARG A 36 -2.643 -4.496 -5.635 1.00 0.00 C ATOM 488 NE ARG A 36 -1.205 -4.250 -5.579 1.00 0.00 N ATOM 489 CZ ARG A 36 -0.470 -4.435 -4.488 1.00 0.00 C ATOM 490 NH1 ARG A 36 -1.035 -4.865 -3.368 1.00 0.00 N ATOM 491 NH2 ARG A 36 0.834 -4.189 -4.516 1.00 0.00 N ATOM 0 H ARG A 36 -1.166 -7.946 -6.026 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.776 -7.168 -8.819 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.344 -5.557 -7.838 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.748 -7.191 -7.351 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.924 -6.187 -5.304 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.214 -6.564 -5.246 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.071 -3.951 -6.476 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.113 -4.107 -4.731 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.739 -3.918 -6.424 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.037 -5.055 -3.342 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.468 -5.006 -2.532 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.272 -3.858 -5.375 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.398 -4.331 -3.678 1.00 0.00 H new ATOM 505 N TYR A 37 -0.739 -4.791 -8.551 1.00 0.00 N ATOM 506 CA TYR A 37 0.191 -3.669 -8.565 1.00 0.00 C ATOM 507 C TYR A 37 -0.543 -2.355 -8.815 1.00 0.00 C ATOM 508 O TYR A 37 -1.352 -2.248 -9.737 1.00 0.00 O ATOM 509 CB TYR A 37 1.261 -3.880 -9.637 1.00 0.00 C ATOM 510 CG TYR A 37 0.871 -3.343 -10.996 1.00 0.00 C ATOM 511 CD1 TYR A 37 1.152 -2.030 -11.353 1.00 0.00 C ATOM 512 CD2 TYR A 37 0.220 -4.149 -11.922 1.00 0.00 C ATOM 513 CE1 TYR A 37 0.796 -1.536 -12.593 1.00 0.00 C ATOM 514 CE2 TYR A 37 -0.138 -3.663 -13.165 1.00 0.00 C ATOM 515 CZ TYR A 37 0.152 -2.356 -13.496 1.00 0.00 C ATOM 516 OH TYR A 37 -0.204 -1.868 -14.732 1.00 0.00 O ATOM 0 H TYR A 37 -1.467 -4.744 -9.264 1.00 0.00 H new ATOM 0 HA TYR A 37 0.670 -3.616 -7.588 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.185 -3.398 -9.316 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.471 -4.946 -9.724 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.657 -1.385 -10.649 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.010 -5.173 -11.666 1.00 0.00 H new ATOM 0 HE1 TYR A 37 1.021 -0.512 -12.854 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.642 -4.303 -13.874 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.648 -2.574 -15.247 1.00 0.00 H new ATOM 526 N PHE A 38 -0.255 -1.357 -7.986 1.00 0.00 N ATOM 527 CA PHE A 38 -0.888 -0.049 -8.116 1.00 0.00 C ATOM 528 C PHE A 38 0.140 1.069 -7.967 1.00 0.00 C ATOM 529 O PHE A 38 1.234 0.856 -7.444 1.00 0.00 O ATOM 530 CB PHE A 38 -1.991 0.113 -7.068 1.00 0.00 C ATOM 531 CG PHE A 38 -1.492 0.025 -5.654 1.00 0.00 C ATOM 532 CD1 PHE A 38 -1.026 1.154 -4.998 1.00 0.00 C ATOM 533 CD2 PHE A 38 -1.489 -1.185 -4.980 1.00 0.00 C ATOM 534 CE1 PHE A 38 -0.566 1.076 -3.698 1.00 0.00 C ATOM 535 CE2 PHE A 38 -1.030 -1.270 -3.679 1.00 0.00 C ATOM 536 CZ PHE A 38 -0.569 -0.137 -3.037 1.00 0.00 C ATOM 0 H PHE A 38 0.412 -1.429 -7.218 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.329 0.017 -9.111 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.480 1.076 -7.213 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.747 -0.656 -7.226 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.023 2.105 -5.509 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.850 -2.073 -5.477 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.204 1.963 -3.199 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.032 -2.220 -3.165 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.211 -0.199 -2.020 1.00 0.00 H new ATOM 546 N TYR A 39 -0.220 2.260 -8.431 1.00 0.00 N ATOM 547 CA TYR A 39 0.670 3.412 -8.352 1.00 0.00 C ATOM 548 C TYR A 39 0.243 4.356 -7.232 1.00 0.00 C ATOM 549 O TYR A 39 -0.904 4.328 -6.786 1.00 0.00 O ATOM 550 CB TYR A 39 0.688 4.161 -9.686 1.00 0.00 C ATOM 551 CG TYR A 39 1.178 3.322 -10.845 1.00 0.00 C ATOM 552 CD1 TYR A 39 2.517 2.971 -10.957 1.00 0.00 C ATOM 553 CD2 TYR A 39 0.301 2.881 -11.828 1.00 0.00 C ATOM 554 CE1 TYR A 39 2.969 2.205 -12.014 1.00 0.00 C ATOM 555 CE2 TYR A 39 0.743 2.113 -12.888 1.00 0.00 C ATOM 556 CZ TYR A 39 2.078 1.779 -12.977 1.00 0.00 C ATOM 557 OH TYR A 39 2.524 1.015 -14.031 1.00 0.00 O ATOM 0 H TYR A 39 -1.122 2.453 -8.866 1.00 0.00 H new ATOM 0 HA TYR A 39 1.674 3.049 -8.133 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.318 4.518 -9.906 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.324 5.041 -9.591 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.217 3.303 -10.205 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.745 3.143 -11.762 1.00 0.00 H new ATOM 0 HE1 TYR A 39 4.014 1.941 -12.086 1.00 0.00 H new ATOM 0 HE2 TYR A 39 0.047 1.776 -13.642 1.00 0.00 H new ATOM 0 HH TYR A 39 1.771 0.797 -14.619 1.00 0.00 H new ATOM 567 N ILE A 40 1.175 5.190 -6.783 1.00 0.00 N ATOM 568 CA ILE A 40 0.896 6.143 -5.717 1.00 0.00 C ATOM 569 C ILE A 40 1.263 7.562 -6.138 1.00 0.00 C ATOM 570 O ILE A 40 2.438 7.928 -6.165 1.00 0.00 O ATOM 571 CB ILE A 40 1.663 5.788 -4.429 1.00 0.00 C ATOM 572 CG1 ILE A 40 1.049 4.551 -3.769 1.00 0.00 C ATOM 573 CG2 ILE A 40 1.657 6.967 -3.467 1.00 0.00 C ATOM 574 CD1 ILE A 40 1.961 3.890 -2.760 1.00 0.00 C ATOM 0 H ILE A 40 2.129 5.225 -7.141 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.175 6.090 -5.519 1.00 0.00 H new ATOM 0 HB ILE A 40 2.697 5.562 -4.689 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.120 4.836 -3.275 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.790 3.827 -4.542 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.203 6.701 -2.562 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.135 7.825 -3.940 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.629 7.221 -3.209 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.461 3.021 -2.332 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.880 3.574 -3.253 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.200 4.598 -1.966 1.00 0.00 H new ATOM 586 N GLN A 41 0.249 8.357 -6.465 1.00 0.00 N ATOM 587 CA GLN A 41 0.465 9.737 -6.884 1.00 0.00 C ATOM 588 C GLN A 41 0.446 10.679 -5.685 1.00 0.00 C ATOM 589 O GLN A 41 -0.472 10.640 -4.866 1.00 0.00 O ATOM 590 CB GLN A 41 -0.602 10.158 -7.895 1.00 0.00 C ATOM 591 CG GLN A 41 -0.496 11.614 -8.321 1.00 0.00 C ATOM 592 CD GLN A 41 0.653 11.860 -9.279 1.00 0.00 C ATOM 593 OE1 GLN A 41 0.745 11.228 -10.332 1.00 0.00 O ATOM 594 NE2 GLN A 41 1.537 12.782 -8.918 1.00 0.00 N ATOM 0 H GLN A 41 -0.729 8.069 -6.448 1.00 0.00 H new ATOM 0 HA GLN A 41 1.446 9.798 -7.355 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.525 9.523 -8.778 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.588 9.985 -7.463 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.430 11.919 -8.794 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.367 12.239 -7.437 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.422 13.282 -8.036 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.332 12.991 -9.522 1.00 0.00 H new ATOM 603 N ALA A 42 1.466 11.526 -5.588 1.00 0.00 N ATOM 604 CA ALA A 42 1.566 12.480 -4.490 1.00 0.00 C ATOM 605 C ALA A 42 0.878 13.795 -4.841 1.00 0.00 C ATOM 606 O ALA A 42 0.933 14.250 -5.983 1.00 0.00 O ATOM 607 CB ALA A 42 3.025 12.724 -4.133 1.00 0.00 C ATOM 0 H ALA A 42 2.235 11.571 -6.257 1.00 0.00 H new ATOM 0 HA ALA A 42 1.058 12.054 -3.624 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.084 13.438 -3.312 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.488 11.784 -3.831 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.550 13.124 -5.000 1.00 0.00 H new ATOM 613 N VAL A 43 0.229 14.400 -3.851 1.00 0.00 N ATOM 614 CA VAL A 43 -0.470 15.663 -4.055 1.00 0.00 C ATOM 615 C VAL A 43 -0.180 16.641 -2.922 1.00 0.00 C ATOM 616 O VAL A 43 -0.035 16.242 -1.767 1.00 0.00 O ATOM 617 CB VAL A 43 -1.992 15.452 -4.160 1.00 0.00 C ATOM 618 CG1 VAL A 43 -2.718 16.789 -4.160 1.00 0.00 C ATOM 619 CG2 VAL A 43 -2.334 14.650 -5.407 1.00 0.00 C ATOM 0 H VAL A 43 0.173 14.036 -2.900 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.103 16.080 -4.993 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.324 14.886 -3.290 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.792 16.620 -4.235 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.498 17.322 -3.235 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.384 17.384 -5.010 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.413 14.510 -5.465 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.989 15.187 -6.291 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.844 13.677 -5.360 1.00 0.00 H new ATOM 629 N ASP A 44 -0.099 17.923 -3.261 1.00 0.00 N ATOM 630 CA ASP A 44 0.172 18.959 -2.271 1.00 0.00 C ATOM 631 C ASP A 44 -1.051 19.206 -1.394 1.00 0.00 C ATOM 632 O ASP A 44 -2.125 18.656 -1.638 1.00 0.00 O ATOM 633 CB ASP A 44 0.589 20.258 -2.963 1.00 0.00 C ATOM 634 CG ASP A 44 1.287 21.218 -2.020 1.00 0.00 C ATOM 635 OD1 ASP A 44 2.089 20.751 -1.185 1.00 0.00 O ATOM 636 OD2 ASP A 44 1.030 22.437 -2.116 1.00 0.00 O ATOM 0 H ASP A 44 -0.217 18.270 -4.213 1.00 0.00 H new ATOM 0 HA ASP A 44 0.989 18.616 -1.636 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.252 20.026 -3.796 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.293 20.742 -3.382 1.00 0.00 H new ATOM 641 N THR A 45 -0.880 20.035 -0.369 1.00 0.00 N ATOM 642 CA THR A 45 -1.969 20.352 0.547 1.00 0.00 C ATOM 643 C THR A 45 -3.097 21.082 -0.172 1.00 0.00 C ATOM 644 O THR A 45 -4.219 21.157 0.328 1.00 0.00 O ATOM 645 CB THR A 45 -1.479 21.219 1.723 1.00 0.00 C ATOM 646 OG1 THR A 45 -1.017 22.485 1.239 1.00 0.00 O ATOM 647 CG2 THR A 45 -0.360 20.521 2.480 1.00 0.00 C ATOM 0 H THR A 45 0.002 20.499 -0.152 1.00 0.00 H new ATOM 0 HA THR A 45 -2.342 19.404 0.935 1.00 0.00 H new ATOM 0 HB THR A 45 -2.315 21.374 2.404 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.709 23.031 1.993 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.030 21.152 3.305 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.723 19.571 2.872 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.477 20.339 1.806 1.00 0.00 H new ATOM 655 N SER A 46 -2.793 21.619 -1.349 1.00 0.00 N ATOM 656 CA SER A 46 -3.782 22.346 -2.137 1.00 0.00 C ATOM 657 C SER A 46 -4.418 21.437 -3.184 1.00 0.00 C ATOM 658 O SER A 46 -5.639 21.382 -3.315 1.00 0.00 O ATOM 659 CB SER A 46 -3.134 23.554 -2.818 1.00 0.00 C ATOM 660 OG SER A 46 -3.141 24.685 -1.965 1.00 0.00 O ATOM 0 H SER A 46 -1.869 21.564 -1.778 1.00 0.00 H new ATOM 0 HA SER A 46 -4.564 22.694 -1.462 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.109 23.311 -3.097 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.668 23.786 -3.739 1.00 0.00 H new ATOM 0 HG SER A 46 -2.720 25.442 -2.423 1.00 0.00 H new ATOM 666 N GLY A 47 -3.577 20.725 -3.929 1.00 0.00 N ATOM 667 CA GLY A 47 -4.075 19.828 -4.955 1.00 0.00 C ATOM 668 C GLY A 47 -3.248 19.884 -6.225 1.00 0.00 C ATOM 669 O GLY A 47 -3.776 19.725 -7.324 1.00 0.00 O ATOM 0 H GLY A 47 -2.561 20.754 -3.840 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.078 18.808 -4.571 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.109 20.084 -5.187 1.00 0.00 H new ATOM 673 N ASN A 48 -1.948 20.113 -6.073 1.00 0.00 N ATOM 674 CA ASN A 48 -1.047 20.193 -7.217 1.00 0.00 C ATOM 675 C ASN A 48 -0.103 18.995 -7.250 1.00 0.00 C ATOM 676 O ASN A 48 0.837 18.909 -6.460 1.00 0.00 O ATOM 677 CB ASN A 48 -0.239 21.492 -7.167 1.00 0.00 C ATOM 678 CG ASN A 48 0.140 21.883 -5.752 1.00 0.00 C ATOM 679 OD1 ASN A 48 1.253 21.617 -5.299 1.00 0.00 O ATOM 680 ND2 ASN A 48 -0.788 22.518 -5.045 1.00 0.00 N ATOM 0 H ASN A 48 -1.495 20.246 -5.169 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.650 20.183 -8.125 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.666 21.377 -7.764 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.820 22.296 -7.620 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.591 22.806 -4.086 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.698 22.718 -5.461 1.00 0.00 H new ATOM 687 N LYS A 49 -0.359 18.073 -8.171 1.00 0.00 N ATOM 688 CA LYS A 49 0.468 16.880 -8.311 1.00 0.00 C ATOM 689 C LYS A 49 1.950 17.237 -8.266 1.00 0.00 C ATOM 690 O LYS A 49 2.397 18.162 -8.945 1.00 0.00 O ATOM 691 CB LYS A 49 0.145 16.161 -9.623 1.00 0.00 C ATOM 692 CG LYS A 49 -1.248 15.557 -9.659 1.00 0.00 C ATOM 693 CD LYS A 49 -2.268 16.540 -10.207 1.00 0.00 C ATOM 694 CE LYS A 49 -3.455 15.821 -10.831 1.00 0.00 C ATOM 695 NZ LYS A 49 -4.696 16.641 -10.769 1.00 0.00 N ATOM 0 H LYS A 49 -1.133 18.129 -8.833 1.00 0.00 H new ATOM 0 HA LYS A 49 0.247 16.215 -7.476 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.248 16.865 -10.448 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.879 15.371 -9.785 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.240 14.658 -10.276 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.539 15.252 -8.654 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.616 17.190 -9.404 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.795 17.179 -10.953 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.229 15.582 -11.870 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.619 14.875 -10.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.481 16.116 -11.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.926 16.848 -9.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.549 17.533 -11.283 1.00 0.00 H new ATOM 709 N PHE A 50 2.708 16.498 -7.463 1.00 0.00 N ATOM 710 CA PHE A 50 4.141 16.736 -7.331 1.00 0.00 C ATOM 711 C PHE A 50 4.865 16.442 -8.641 1.00 0.00 C ATOM 712 O PHE A 50 5.821 17.127 -9.004 1.00 0.00 O ATOM 713 CB PHE A 50 4.721 15.873 -6.208 1.00 0.00 C ATOM 714 CG PHE A 50 4.718 16.551 -4.868 1.00 0.00 C ATOM 715 CD1 PHE A 50 3.527 16.938 -4.276 1.00 0.00 C ATOM 716 CD2 PHE A 50 5.906 16.801 -4.201 1.00 0.00 C ATOM 717 CE1 PHE A 50 3.521 17.562 -3.042 1.00 0.00 C ATOM 718 CE2 PHE A 50 5.906 17.424 -2.967 1.00 0.00 C ATOM 719 CZ PHE A 50 4.712 17.806 -2.387 1.00 0.00 C ATOM 0 H PHE A 50 2.354 15.729 -6.894 1.00 0.00 H new ATOM 0 HA PHE A 50 4.288 17.788 -7.085 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.149 14.948 -6.139 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.744 15.597 -6.464 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.593 16.750 -4.784 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.843 16.506 -4.650 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.586 17.858 -2.591 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.839 17.612 -2.457 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.710 18.294 -1.424 1.00 0.00 H new ATOM 729 N THR A 51 4.403 15.415 -9.348 1.00 0.00 N ATOM 730 CA THR A 51 5.006 15.027 -10.616 1.00 0.00 C ATOM 731 C THR A 51 6.528 15.079 -10.540 1.00 0.00 C ATOM 732 O THR A 51 7.204 15.257 -11.553 1.00 0.00 O ATOM 733 CB THR A 51 4.530 15.935 -11.766 1.00 0.00 C ATOM 734 OG1 THR A 51 4.954 17.283 -11.533 1.00 0.00 O ATOM 735 CG2 THR A 51 3.015 15.890 -11.899 1.00 0.00 C ATOM 0 H THR A 51 3.612 14.837 -9.063 1.00 0.00 H new ATOM 0 HA THR A 51 4.689 14.003 -10.816 1.00 0.00 H new ATOM 0 HB THR A 51 4.971 15.571 -12.694 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.562 17.306 -10.765 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.702 16.539 -12.717 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.698 14.868 -12.105 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.558 16.231 -10.970 1.00 0.00 H new ATOM 743 N SER A 52 7.061 14.921 -9.333 1.00 0.00 N ATOM 744 CA SER A 52 8.504 14.953 -9.124 1.00 0.00 C ATOM 745 C SER A 52 8.959 13.756 -8.295 1.00 0.00 C ATOM 746 O SER A 52 8.140 12.984 -7.797 1.00 0.00 O ATOM 747 CB SER A 52 8.911 16.254 -8.430 1.00 0.00 C ATOM 748 OG SER A 52 8.864 17.348 -9.328 1.00 0.00 O ATOM 0 H SER A 52 6.515 14.770 -8.485 1.00 0.00 H new ATOM 0 HA SER A 52 8.989 14.903 -10.099 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.247 16.443 -7.587 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.918 16.154 -8.026 1.00 0.00 H new ATOM 0 HG SER A 52 7.930 17.577 -9.516 1.00 0.00 H new ATOM 754 N SER A 53 10.273 13.609 -8.152 1.00 0.00 N ATOM 755 CA SER A 53 10.839 12.505 -7.387 1.00 0.00 C ATOM 756 C SER A 53 11.104 12.923 -5.944 1.00 0.00 C ATOM 757 O SER A 53 11.986 13.733 -5.657 1.00 0.00 O ATOM 758 CB SER A 53 12.137 12.020 -8.035 1.00 0.00 C ATOM 759 OG SER A 53 12.575 10.805 -7.453 1.00 0.00 O ATOM 0 H SER A 53 10.965 14.241 -8.556 1.00 0.00 H new ATOM 0 HA SER A 53 10.116 11.690 -7.384 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.982 11.879 -9.105 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.910 12.780 -7.922 1.00 0.00 H new ATOM 0 HG SER A 53 13.405 10.516 -7.886 1.00 0.00 H new ATOM 765 N PRO A 54 10.322 12.358 -5.011 1.00 0.00 N ATOM 766 CA PRO A 54 10.453 12.656 -3.582 1.00 0.00 C ATOM 767 C PRO A 54 11.738 12.091 -2.987 1.00 0.00 C ATOM 768 O PRO A 54 12.465 12.788 -2.280 1.00 0.00 O ATOM 769 CB PRO A 54 9.232 11.971 -2.964 1.00 0.00 C ATOM 770 CG PRO A 54 8.892 10.874 -3.913 1.00 0.00 C ATOM 771 CD PRO A 54 9.251 11.384 -5.281 1.00 0.00 C ATOM 0 HA PRO A 54 10.500 13.728 -3.392 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.457 11.580 -1.972 1.00 0.00 H new ATOM 0 HB3 PRO A 54 8.402 12.668 -2.851 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.448 9.967 -3.676 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.833 10.623 -3.856 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.594 10.580 -5.933 1.00 0.00 H new ATOM 0 HD3 PRO A 54 8.398 11.851 -5.773 1.00 0.00 H new ATOM 779 N GLY A 55 12.014 10.824 -3.280 1.00 0.00 N ATOM 780 CA GLY A 55 13.212 10.187 -2.766 1.00 0.00 C ATOM 781 C GLY A 55 13.316 8.731 -3.173 1.00 0.00 C ATOM 782 O GLY A 55 13.296 8.410 -4.361 1.00 0.00 O ATOM 0 H GLY A 55 11.429 10.227 -3.865 1.00 0.00 H new ATOM 0 HA2 GLY A 55 14.089 10.725 -3.126 1.00 0.00 H new ATOM 0 HA3 GLY A 55 13.219 10.258 -1.678 1.00 0.00 H new ATOM 786 N GLU A 56 13.428 7.848 -2.186 1.00 0.00 N ATOM 787 CA GLU A 56 13.537 6.418 -2.450 1.00 0.00 C ATOM 788 C GLU A 56 12.398 5.652 -1.783 1.00 0.00 C ATOM 789 O GLU A 56 11.634 4.950 -2.445 1.00 0.00 O ATOM 790 CB GLU A 56 14.883 5.887 -1.953 1.00 0.00 C ATOM 791 CG GLU A 56 15.250 4.527 -2.524 1.00 0.00 C ATOM 792 CD GLU A 56 16.719 4.195 -2.343 1.00 0.00 C ATOM 793 OE1 GLU A 56 17.565 5.050 -2.679 1.00 0.00 O ATOM 794 OE2 GLU A 56 17.022 3.081 -1.868 1.00 0.00 O ATOM 0 H GLU A 56 13.446 8.097 -1.197 1.00 0.00 H new ATOM 0 HA GLU A 56 13.470 6.268 -3.527 1.00 0.00 H new ATOM 0 HB2 GLU A 56 15.664 6.603 -2.211 1.00 0.00 H new ATOM 0 HB3 GLU A 56 14.858 5.820 -0.865 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.646 3.759 -2.041 1.00 0.00 H new ATOM 0 HG3 GLU A 56 15.004 4.505 -3.586 1.00 0.00 H new ATOM 801 N LYS A 57 12.291 5.793 -0.466 1.00 0.00 N ATOM 802 CA LYS A 57 11.246 5.116 0.294 1.00 0.00 C ATOM 803 C LYS A 57 10.481 6.106 1.167 1.00 0.00 C ATOM 804 O LYS A 57 10.767 6.250 2.355 1.00 0.00 O ATOM 805 CB LYS A 57 11.852 4.014 1.165 1.00 0.00 C ATOM 806 CG LYS A 57 12.349 2.816 0.373 1.00 0.00 C ATOM 807 CD LYS A 57 11.200 1.924 -0.067 1.00 0.00 C ATOM 808 CE LYS A 57 10.686 1.070 1.083 1.00 0.00 C ATOM 809 NZ LYS A 57 11.575 -0.094 1.350 1.00 0.00 N ATOM 0 H LYS A 57 12.915 6.370 0.098 1.00 0.00 H new ATOM 0 HA LYS A 57 10.549 4.668 -0.414 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.681 4.430 1.737 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.105 3.679 1.884 1.00 0.00 H new ATOM 0 HG2 LYS A 57 12.900 3.160 -0.502 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.046 2.240 0.982 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.389 2.539 -0.456 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.530 1.279 -0.882 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.608 1.681 1.982 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.682 0.714 0.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.164 -0.678 2.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.670 -0.664 0.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.512 0.246 1.646 1.00 0.00 H new ATOM 823 N VAL A 58 9.506 6.784 0.570 1.00 0.00 N ATOM 824 CA VAL A 58 8.698 7.758 1.294 1.00 0.00 C ATOM 825 C VAL A 58 7.291 7.227 1.544 1.00 0.00 C ATOM 826 O VAL A 58 6.580 7.711 2.425 1.00 0.00 O ATOM 827 CB VAL A 58 8.603 9.090 0.527 1.00 0.00 C ATOM 828 CG1 VAL A 58 9.986 9.693 0.332 1.00 0.00 C ATOM 829 CG2 VAL A 58 7.908 8.886 -0.811 1.00 0.00 C ATOM 0 H VAL A 58 9.257 6.677 -0.413 1.00 0.00 H new ATOM 0 HA VAL A 58 9.193 7.932 2.249 1.00 0.00 H new ATOM 0 HB VAL A 58 8.008 9.787 1.117 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.899 10.634 -0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 58 10.443 9.877 1.304 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.608 9.001 -0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 58 7.850 9.838 -1.339 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.474 8.172 -1.410 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.902 8.502 -0.644 1.00 0.00 H new ATOM 839 N PHE A 59 6.894 6.228 0.763 1.00 0.00 N ATOM 840 CA PHE A 59 5.571 5.630 0.899 1.00 0.00 C ATOM 841 C PHE A 59 5.676 4.145 1.234 1.00 0.00 C ATOM 842 O PHE A 59 6.265 3.370 0.481 1.00 0.00 O ATOM 843 CB PHE A 59 4.768 5.818 -0.390 1.00 0.00 C ATOM 844 CG PHE A 59 4.361 7.242 -0.641 1.00 0.00 C ATOM 845 CD1 PHE A 59 3.675 7.961 0.325 1.00 0.00 C ATOM 846 CD2 PHE A 59 4.665 7.862 -1.842 1.00 0.00 C ATOM 847 CE1 PHE A 59 3.300 9.272 0.098 1.00 0.00 C ATOM 848 CE2 PHE A 59 4.293 9.173 -2.075 1.00 0.00 C ATOM 849 CZ PHE A 59 3.609 9.878 -1.104 1.00 0.00 C ATOM 0 H PHE A 59 7.470 5.815 0.029 1.00 0.00 H new ATOM 0 HA PHE A 59 5.055 6.133 1.717 1.00 0.00 H new ATOM 0 HB2 PHE A 59 5.361 5.464 -1.233 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.874 5.196 -0.346 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.430 7.491 1.266 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.199 7.315 -2.605 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.766 9.821 0.859 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.537 9.645 -3.015 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.316 10.902 -1.284 1.00 0.00 H new ATOM 859 N GLN A 60 5.102 3.758 2.368 1.00 0.00 N ATOM 860 CA GLN A 60 5.132 2.367 2.803 1.00 0.00 C ATOM 861 C GLN A 60 3.743 1.742 2.727 1.00 0.00 C ATOM 862 O GLN A 60 2.732 2.431 2.869 1.00 0.00 O ATOM 863 CB GLN A 60 5.671 2.269 4.231 1.00 0.00 C ATOM 864 CG GLN A 60 5.634 0.859 4.800 1.00 0.00 C ATOM 865 CD GLN A 60 6.635 0.656 5.920 1.00 0.00 C ATOM 866 OE1 GLN A 60 7.846 0.698 5.702 1.00 0.00 O ATOM 867 NE2 GLN A 60 6.133 0.434 7.130 1.00 0.00 N ATOM 0 H GLN A 60 4.611 4.388 3.002 1.00 0.00 H new ATOM 0 HA GLN A 60 5.794 1.818 2.134 1.00 0.00 H new ATOM 0 HB2 GLN A 60 6.699 2.632 4.248 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.089 2.928 4.876 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.631 0.647 5.171 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.837 0.144 4.003 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.122 0.407 7.266 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.758 0.290 7.923 1.00 0.00 H new ATOM 876 N VAL A 61 3.700 0.433 2.502 1.00 0.00 N ATOM 877 CA VAL A 61 2.434 -0.285 2.407 1.00 0.00 C ATOM 878 C VAL A 61 2.480 -1.586 3.201 1.00 0.00 C ATOM 879 O VAL A 61 3.400 -2.390 3.045 1.00 0.00 O ATOM 880 CB VAL A 61 2.077 -0.603 0.943 1.00 0.00 C ATOM 881 CG1 VAL A 61 0.777 -1.389 0.869 1.00 0.00 C ATOM 882 CG2 VAL A 61 1.981 0.679 0.129 1.00 0.00 C ATOM 0 H VAL A 61 4.527 -0.152 2.382 1.00 0.00 H new ATOM 0 HA VAL A 61 1.668 0.367 2.826 1.00 0.00 H new ATOM 0 HB VAL A 61 2.870 -1.218 0.519 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.541 -1.604 -0.173 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.886 -2.325 1.417 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.029 -0.802 1.310 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.728 0.437 -0.903 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.208 1.321 0.551 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.938 1.199 0.155 1.00 0.00 H new ATOM 892 N LYS A 62 1.481 -1.788 4.054 1.00 0.00 N ATOM 893 CA LYS A 62 1.404 -2.992 4.872 1.00 0.00 C ATOM 894 C LYS A 62 0.238 -3.873 4.436 1.00 0.00 C ATOM 895 O LYS A 62 -0.786 -3.377 3.966 1.00 0.00 O ATOM 896 CB LYS A 62 1.252 -2.621 6.349 1.00 0.00 C ATOM 897 CG LYS A 62 1.077 -3.821 7.263 1.00 0.00 C ATOM 898 CD LYS A 62 2.410 -4.481 7.578 1.00 0.00 C ATOM 899 CE LYS A 62 2.336 -5.303 8.856 1.00 0.00 C ATOM 900 NZ LYS A 62 3.332 -6.410 8.860 1.00 0.00 N ATOM 0 H LYS A 62 0.713 -1.132 4.197 1.00 0.00 H new ATOM 0 HA LYS A 62 2.329 -3.552 4.737 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.130 -2.059 6.666 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.393 -1.960 6.462 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.597 -3.507 8.190 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.414 -4.546 6.791 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.705 -5.123 6.748 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.181 -3.717 7.680 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.509 -4.655 9.715 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.333 -5.716 8.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.251 -6.947 9.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.151 -7.042 8.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.291 -6.015 8.782 1.00 0.00 H new ATOM 914 N VAL A 63 0.400 -5.183 4.596 1.00 0.00 N ATOM 915 CA VAL A 63 -0.640 -6.133 4.221 1.00 0.00 C ATOM 916 C VAL A 63 -0.958 -7.082 5.371 1.00 0.00 C ATOM 917 O VAL A 63 -0.078 -7.445 6.151 1.00 0.00 O ATOM 918 CB VAL A 63 -0.228 -6.959 2.988 1.00 0.00 C ATOM 919 CG1 VAL A 63 -1.272 -8.022 2.683 1.00 0.00 C ATOM 920 CG2 VAL A 63 -0.013 -6.051 1.786 1.00 0.00 C ATOM 0 H VAL A 63 1.242 -5.610 4.983 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.528 -5.550 3.978 1.00 0.00 H new ATOM 0 HB VAL A 63 0.714 -7.462 3.208 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.963 -8.595 1.809 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.371 -8.690 3.538 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.231 -7.544 2.483 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.278 -6.651 0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.937 -5.518 1.562 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.775 -5.332 2.010 1.00 0.00 H new ATOM 930 N SER A 64 -2.222 -7.481 5.469 1.00 0.00 N ATOM 931 CA SER A 64 -2.658 -8.385 6.527 1.00 0.00 C ATOM 932 C SER A 64 -3.933 -9.120 6.122 1.00 0.00 C ATOM 933 O SER A 64 -4.682 -8.658 5.262 1.00 0.00 O ATOM 934 CB SER A 64 -2.893 -7.611 7.825 1.00 0.00 C ATOM 935 OG SER A 64 -3.227 -8.486 8.888 1.00 0.00 O ATOM 0 H SER A 64 -2.962 -7.193 4.829 1.00 0.00 H new ATOM 0 HA SER A 64 -1.870 -9.121 6.689 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.997 -7.047 8.083 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.695 -6.887 7.680 1.00 0.00 H new ATOM 0 HG SER A 64 -3.370 -7.967 9.707 1.00 0.00 H new ATOM 941 N ALA A 65 -4.171 -10.268 6.748 1.00 0.00 N ATOM 942 CA ALA A 65 -5.355 -11.066 6.455 1.00 0.00 C ATOM 943 C ALA A 65 -6.513 -10.687 7.372 1.00 0.00 C ATOM 944 O ALA A 65 -6.332 -10.403 8.556 1.00 0.00 O ATOM 945 CB ALA A 65 -5.037 -12.548 6.588 1.00 0.00 C ATOM 0 H ALA A 65 -3.560 -10.666 7.461 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.657 -10.861 5.428 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.930 -13.133 6.367 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.245 -12.815 5.888 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.708 -12.760 7.605 1.00 0.00 H new ATOM 951 N PRO A 66 -7.733 -10.682 6.814 1.00 0.00 N ATOM 952 CA PRO A 66 -8.945 -10.339 7.565 1.00 0.00 C ATOM 953 C PRO A 66 -9.312 -11.405 8.591 1.00 0.00 C ATOM 954 O PRO A 66 -9.606 -11.093 9.745 1.00 0.00 O ATOM 955 CB PRO A 66 -10.020 -10.250 6.479 1.00 0.00 C ATOM 956 CG PRO A 66 -9.522 -11.122 5.379 1.00 0.00 C ATOM 957 CD PRO A 66 -8.023 -11.010 5.409 1.00 0.00 C ATOM 0 HA PRO A 66 -8.823 -9.421 8.140 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -10.986 -10.593 6.849 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -10.155 -9.223 6.139 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.839 -12.154 5.525 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -9.918 -10.800 4.416 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.544 -11.942 5.107 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -7.665 -10.234 4.733 1.00 0.00 H new ATOM 965 N GLU A 67 -9.291 -12.664 8.164 1.00 0.00 N ATOM 966 CA GLU A 67 -9.622 -13.775 9.048 1.00 0.00 C ATOM 967 C GLU A 67 -8.361 -14.378 9.661 1.00 0.00 C ATOM 968 O GLU A 67 -8.184 -14.365 10.878 1.00 0.00 O ATOM 969 CB GLU A 67 -10.395 -14.852 8.283 1.00 0.00 C ATOM 970 CG GLU A 67 -11.019 -15.907 9.180 1.00 0.00 C ATOM 971 CD GLU A 67 -12.200 -15.378 9.971 1.00 0.00 C ATOM 972 OE1 GLU A 67 -11.997 -14.467 10.800 1.00 0.00 O ATOM 973 OE2 GLU A 67 -13.326 -15.874 9.760 1.00 0.00 O ATOM 0 H GLU A 67 -9.048 -12.939 7.212 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.248 -13.390 9.853 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.180 -14.376 7.696 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.721 -15.339 7.578 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.344 -16.750 8.571 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.264 -16.284 9.870 1.00 0.00 H new ATOM 980 N GLU A 68 -7.490 -14.906 8.807 1.00 0.00 N ATOM 981 CA GLU A 68 -6.246 -15.514 9.265 1.00 0.00 C ATOM 982 C GLU A 68 -5.525 -14.602 10.253 1.00 0.00 C ATOM 983 O GLU A 68 -5.711 -13.386 10.239 1.00 0.00 O ATOM 984 CB GLU A 68 -5.333 -15.818 8.075 1.00 0.00 C ATOM 985 CG GLU A 68 -5.664 -17.124 7.372 1.00 0.00 C ATOM 986 CD GLU A 68 -4.903 -17.296 6.072 1.00 0.00 C ATOM 987 OE1 GLU A 68 -5.331 -16.716 5.052 1.00 0.00 O ATOM 988 OE2 GLU A 68 -3.879 -18.011 6.074 1.00 0.00 O ATOM 0 H GLU A 68 -7.622 -14.925 7.796 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.493 -16.447 9.772 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.402 -15.001 7.357 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.300 -15.853 8.420 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.435 -17.958 8.036 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.734 -17.162 7.170 1.00 0.00 H new ATOM 995 N GLN A 69 -4.703 -15.199 11.109 1.00 0.00 N ATOM 996 CA GLN A 69 -3.955 -14.441 12.105 1.00 0.00 C ATOM 997 C GLN A 69 -2.493 -14.300 11.697 1.00 0.00 C ATOM 998 O GLN A 69 -1.809 -13.363 12.111 1.00 0.00 O ATOM 999 CB GLN A 69 -4.052 -15.120 13.472 1.00 0.00 C ATOM 1000 CG GLN A 69 -3.067 -16.262 13.656 1.00 0.00 C ATOM 1001 CD GLN A 69 -3.532 -17.546 12.997 1.00 0.00 C ATOM 1002 OE1 GLN A 69 -3.401 -17.719 11.785 1.00 0.00 O ATOM 1003 NE2 GLN A 69 -4.080 -18.456 13.794 1.00 0.00 N ATOM 0 H GLN A 69 -4.538 -16.205 11.133 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.393 -13.445 12.170 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.882 -14.376 14.250 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -5.065 -15.499 13.609 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.101 -15.974 13.241 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.916 -16.439 14.721 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.169 -18.271 14.793 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.412 -19.339 13.407 1.00 0.00 H new ATOM 1012 N PHE A 70 -2.018 -15.237 10.883 1.00 0.00 N ATOM 1013 CA PHE A 70 -0.635 -15.218 10.419 1.00 0.00 C ATOM 1014 C PHE A 70 -0.569 -14.972 8.915 1.00 0.00 C ATOM 1015 O PHE A 70 -1.233 -15.653 8.132 1.00 0.00 O ATOM 1016 CB PHE A 70 0.058 -16.538 10.762 1.00 0.00 C ATOM 1017 CG PHE A 70 0.088 -16.835 12.234 1.00 0.00 C ATOM 1018 CD1 PHE A 70 0.593 -15.908 13.131 1.00 0.00 C ATOM 1019 CD2 PHE A 70 -0.389 -18.041 12.721 1.00 0.00 C ATOM 1020 CE1 PHE A 70 0.622 -16.177 14.487 1.00 0.00 C ATOM 1021 CE2 PHE A 70 -0.364 -18.316 14.075 1.00 0.00 C ATOM 1022 CZ PHE A 70 0.143 -17.384 14.959 1.00 0.00 C ATOM 0 H PHE A 70 -2.570 -16.019 10.531 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.119 -14.402 10.926 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.452 -17.351 10.246 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.080 -16.511 10.384 1.00 0.00 H new ATOM 0 HD1 PHE A 70 0.969 -14.963 12.767 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.785 -18.775 12.035 1.00 0.00 H new ATOM 0 HE1 PHE A 70 1.018 -15.445 15.176 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.741 -19.259 14.442 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.165 -17.598 16.017 1.00 0.00 H new ATOM 1032 N THR A 71 0.237 -13.993 8.516 1.00 0.00 N ATOM 1033 CA THR A 71 0.389 -13.654 7.107 1.00 0.00 C ATOM 1034 C THR A 71 1.840 -13.323 6.775 1.00 0.00 C ATOM 1035 O THR A 71 2.451 -12.463 7.410 1.00 0.00 O ATOM 1036 CB THR A 71 -0.501 -12.459 6.716 1.00 0.00 C ATOM 1037 OG1 THR A 71 -1.869 -12.746 7.027 1.00 0.00 O ATOM 1038 CG2 THR A 71 -0.367 -12.147 5.234 1.00 0.00 C ATOM 0 H THR A 71 0.795 -13.421 9.150 1.00 0.00 H new ATOM 0 HA THR A 71 0.079 -14.529 6.537 1.00 0.00 H new ATOM 0 HB THR A 71 -0.174 -11.588 7.285 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.157 -12.189 7.780 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.005 -11.300 4.981 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.670 -11.901 5.006 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.670 -13.016 4.650 1.00 0.00 H new ATOM 1046 N ARG A 72 2.385 -14.009 5.776 1.00 0.00 N ATOM 1047 CA ARG A 72 3.764 -13.787 5.360 1.00 0.00 C ATOM 1048 C ARG A 72 3.819 -13.168 3.966 1.00 0.00 C ATOM 1049 O ARG A 72 3.711 -13.869 2.959 1.00 0.00 O ATOM 1050 CB ARG A 72 4.542 -15.105 5.375 1.00 0.00 C ATOM 1051 CG ARG A 72 5.959 -14.982 4.838 1.00 0.00 C ATOM 1052 CD ARG A 72 6.792 -16.207 5.179 1.00 0.00 C ATOM 1053 NE ARG A 72 6.997 -16.346 6.619 1.00 0.00 N ATOM 1054 CZ ARG A 72 7.751 -17.293 7.165 1.00 0.00 C ATOM 1055 NH1 ARG A 72 8.369 -18.179 6.397 1.00 0.00 N ATOM 1056 NH2 ARG A 72 7.889 -17.355 8.484 1.00 0.00 N ATOM 0 H ARG A 72 1.892 -14.723 5.240 1.00 0.00 H new ATOM 0 HA ARG A 72 4.222 -13.094 6.065 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.581 -15.482 6.397 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.001 -15.843 4.783 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.929 -14.851 3.756 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.431 -14.092 5.254 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.298 -17.100 4.795 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.759 -16.138 4.680 1.00 0.00 H new ATOM 0 HE ARG A 72 6.536 -15.680 7.238 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.266 -18.135 5.383 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.947 -18.905 6.820 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.416 -16.675 9.079 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.468 -18.083 8.903 1.00 0.00 H new ATOM 1070 N VAL A 73 3.988 -11.851 3.915 1.00 0.00 N ATOM 1071 CA VAL A 73 4.058 -11.137 2.646 1.00 0.00 C ATOM 1072 C VAL A 73 5.178 -10.103 2.658 1.00 0.00 C ATOM 1073 O VAL A 73 5.422 -9.448 3.670 1.00 0.00 O ATOM 1074 CB VAL A 73 2.726 -10.433 2.324 1.00 0.00 C ATOM 1075 CG1 VAL A 73 2.903 -9.459 1.169 1.00 0.00 C ATOM 1076 CG2 VAL A 73 1.645 -11.455 2.010 1.00 0.00 C ATOM 0 H VAL A 73 4.079 -11.256 4.739 1.00 0.00 H new ATOM 0 HA VAL A 73 4.263 -11.880 1.875 1.00 0.00 H new ATOM 0 HB VAL A 73 2.413 -9.866 3.201 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.952 -8.971 0.956 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.645 -8.707 1.438 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.239 -10.000 0.285 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.711 -10.940 1.785 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.947 -12.051 1.149 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.501 -12.108 2.871 1.00 0.00 H new ATOM 1086 N GLY A 74 5.857 -9.961 1.524 1.00 0.00 N ATOM 1087 CA GLY A 74 6.943 -9.004 1.424 1.00 0.00 C ATOM 1088 C GLY A 74 6.694 -7.952 0.362 1.00 0.00 C ATOM 1089 O GLY A 74 7.066 -8.131 -0.798 1.00 0.00 O ATOM 0 H GLY A 74 5.674 -10.492 0.672 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.083 -8.516 2.389 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.869 -9.533 1.197 1.00 0.00 H new ATOM 1093 N VAL A 75 6.061 -6.852 0.757 1.00 0.00 N ATOM 1094 CA VAL A 75 5.762 -5.767 -0.171 1.00 0.00 C ATOM 1095 C VAL A 75 6.985 -4.886 -0.398 1.00 0.00 C ATOM 1096 O VAL A 75 7.711 -4.560 0.541 1.00 0.00 O ATOM 1097 CB VAL A 75 4.602 -4.893 0.343 1.00 0.00 C ATOM 1098 CG1 VAL A 75 4.350 -3.730 -0.605 1.00 0.00 C ATOM 1099 CG2 VAL A 75 3.344 -5.730 0.520 1.00 0.00 C ATOM 0 H VAL A 75 5.745 -6.688 1.713 1.00 0.00 H new ATOM 0 HA VAL A 75 5.470 -6.228 -1.114 1.00 0.00 H new ATOM 0 HB VAL A 75 4.879 -4.485 1.315 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.527 -3.123 -0.226 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.249 -3.118 -0.677 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.093 -4.114 -1.592 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.534 -5.097 0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.061 -6.168 -0.437 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.535 -6.525 1.241 1.00 0.00 H new ATOM 1109 N GLN A 76 7.207 -4.503 -1.652 1.00 0.00 N ATOM 1110 CA GLN A 76 8.343 -3.659 -2.003 1.00 0.00 C ATOM 1111 C GLN A 76 7.927 -2.564 -2.978 1.00 0.00 C ATOM 1112 O GLN A 76 7.043 -2.763 -3.812 1.00 0.00 O ATOM 1113 CB GLN A 76 9.463 -4.503 -2.613 1.00 0.00 C ATOM 1114 CG GLN A 76 10.823 -3.825 -2.580 1.00 0.00 C ATOM 1115 CD GLN A 76 11.080 -2.972 -3.807 1.00 0.00 C ATOM 1116 OE1 GLN A 76 10.289 -2.968 -4.751 1.00 0.00 O ATOM 1117 NE2 GLN A 76 12.191 -2.244 -3.800 1.00 0.00 N ATOM 0 H GLN A 76 6.615 -4.764 -2.441 1.00 0.00 H new ATOM 0 HA GLN A 76 8.709 -3.188 -1.091 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.526 -5.450 -2.077 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.208 -4.737 -3.647 1.00 0.00 H new ATOM 0 HG2 GLN A 76 10.893 -3.202 -1.688 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.601 -4.584 -2.500 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.818 -2.278 -2.996 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.417 -1.651 -4.598 1.00 0.00 H new ATOM 1126 N VAL A 77 8.569 -1.405 -2.869 1.00 0.00 N ATOM 1127 CA VAL A 77 8.265 -0.277 -3.742 1.00 0.00 C ATOM 1128 C VAL A 77 9.457 0.068 -4.628 1.00 0.00 C ATOM 1129 O VAL A 77 10.606 0.031 -4.184 1.00 0.00 O ATOM 1130 CB VAL A 77 7.864 0.969 -2.931 1.00 0.00 C ATOM 1131 CG1 VAL A 77 7.519 2.123 -3.860 1.00 0.00 C ATOM 1132 CG2 VAL A 77 6.698 0.650 -2.007 1.00 0.00 C ATOM 0 H VAL A 77 9.303 -1.223 -2.185 1.00 0.00 H new ATOM 0 HA VAL A 77 7.425 -0.578 -4.368 1.00 0.00 H new ATOM 0 HB VAL A 77 8.713 1.270 -2.317 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.238 2.995 -3.269 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.385 2.366 -4.476 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.686 1.837 -4.502 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.428 1.542 -1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.843 0.323 -2.599 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.987 -0.143 -1.318 1.00 0.00 H new ATOM 1142 N LEU A 78 9.178 0.405 -5.882 1.00 0.00 N ATOM 1143 CA LEU A 78 10.227 0.759 -6.831 1.00 0.00 C ATOM 1144 C LEU A 78 9.895 2.063 -7.549 1.00 0.00 C ATOM 1145 O LEU A 78 8.744 2.500 -7.562 1.00 0.00 O ATOM 1146 CB LEU A 78 10.418 -0.364 -7.852 1.00 0.00 C ATOM 1147 CG LEU A 78 11.281 -1.543 -7.400 1.00 0.00 C ATOM 1148 CD1 LEU A 78 10.852 -2.820 -8.104 1.00 0.00 C ATOM 1149 CD2 LEU A 78 12.753 -1.257 -7.660 1.00 0.00 C ATOM 0 H LEU A 78 8.233 0.441 -6.265 1.00 0.00 H new ATOM 0 HA LEU A 78 11.154 0.898 -6.275 1.00 0.00 H new ATOM 0 HB2 LEU A 78 9.436 -0.745 -8.131 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.862 0.062 -8.752 1.00 0.00 H new ATOM 0 HG LEU A 78 11.142 -1.680 -6.328 1.00 0.00 H new ATOM 0 HD11 LEU A 78 11.478 -3.648 -7.769 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.810 -3.034 -7.867 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.961 -2.696 -9.181 1.00 0.00 H new ATOM 0 HD21 LEU A 78 13.352 -2.107 -7.332 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.909 -1.093 -8.726 1.00 0.00 H new ATOM 0 HD23 LEU A 78 13.054 -0.367 -7.108 1.00 0.00 H new ATOM 1161 N ASP A 79 10.909 2.677 -8.148 1.00 0.00 N ATOM 1162 CA ASP A 79 10.725 3.930 -8.871 1.00 0.00 C ATOM 1163 C ASP A 79 10.535 3.673 -10.363 1.00 0.00 C ATOM 1164 O ASP A 79 11.500 3.439 -11.090 1.00 0.00 O ATOM 1165 CB ASP A 79 11.923 4.854 -8.649 1.00 0.00 C ATOM 1166 CG ASP A 79 11.859 6.102 -9.507 1.00 0.00 C ATOM 1167 OD1 ASP A 79 11.027 6.984 -9.210 1.00 0.00 O ATOM 1168 OD2 ASP A 79 12.643 6.197 -10.474 1.00 0.00 O ATOM 0 H ASP A 79 11.867 2.327 -8.147 1.00 0.00 H new ATOM 0 HA ASP A 79 9.827 4.414 -8.486 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.967 5.141 -7.598 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.842 4.312 -8.870 1.00 0.00 H new ATOM 1173 N ARG A 80 9.285 3.717 -10.812 1.00 0.00 N ATOM 1174 CA ARG A 80 8.968 3.487 -12.216 1.00 0.00 C ATOM 1175 C ARG A 80 8.840 4.808 -12.968 1.00 0.00 C ATOM 1176 O ARG A 80 9.537 5.044 -13.955 1.00 0.00 O ATOM 1177 CB ARG A 80 7.671 2.687 -12.344 1.00 0.00 C ATOM 1178 CG ARG A 80 7.806 1.235 -11.917 1.00 0.00 C ATOM 1179 CD ARG A 80 8.190 0.343 -13.088 1.00 0.00 C ATOM 1180 NE ARG A 80 7.148 0.304 -14.110 1.00 0.00 N ATOM 1181 CZ ARG A 80 7.247 -0.398 -15.233 1.00 0.00 C ATOM 1182 NH1 ARG A 80 8.334 -1.117 -15.476 1.00 0.00 N ATOM 1183 NH2 ARG A 80 6.256 -0.384 -16.116 1.00 0.00 N ATOM 0 H ARG A 80 8.475 3.910 -10.223 1.00 0.00 H new ATOM 0 HA ARG A 80 9.784 2.915 -12.658 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.899 3.164 -11.740 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.333 2.722 -13.380 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.560 1.154 -11.134 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.864 0.891 -11.490 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.118 0.705 -13.530 1.00 0.00 H new ATOM 0 HD3 ARG A 80 8.382 -0.667 -12.727 1.00 0.00 H new ATOM 0 HE ARG A 80 6.298 0.845 -13.953 1.00 0.00 H new ATOM 0 HH11 ARG A 80 9.097 -1.132 -14.800 1.00 0.00 H new ATOM 0 HH12 ARG A 80 8.407 -1.655 -16.339 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.417 0.166 -15.932 1.00 0.00 H new ATOM 0 HH22 ARG A 80 6.333 -0.924 -16.978 1.00 0.00 H new ATOM 1197 N LYS A 81 7.944 5.668 -12.495 1.00 0.00 N ATOM 1198 CA LYS A 81 7.723 6.966 -13.121 1.00 0.00 C ATOM 1199 C LYS A 81 8.377 8.080 -12.309 1.00 0.00 C ATOM 1200 O LYS A 81 9.046 7.821 -11.309 1.00 0.00 O ATOM 1201 CB LYS A 81 6.224 7.238 -13.264 1.00 0.00 C ATOM 1202 CG LYS A 81 5.608 6.614 -14.504 1.00 0.00 C ATOM 1203 CD LYS A 81 4.415 7.414 -14.998 1.00 0.00 C ATOM 1204 CE LYS A 81 3.813 6.801 -16.253 1.00 0.00 C ATOM 1205 NZ LYS A 81 4.475 7.304 -17.488 1.00 0.00 N ATOM 0 H LYS A 81 7.359 5.489 -11.679 1.00 0.00 H new ATOM 0 HA LYS A 81 8.179 6.946 -14.111 1.00 0.00 H new ATOM 0 HB2 LYS A 81 5.709 6.858 -12.382 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.060 8.315 -13.290 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.358 6.553 -15.293 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.296 5.594 -14.282 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.658 7.460 -14.215 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.723 8.439 -15.204 1.00 0.00 H new ATOM 0 HE2 LYS A 81 3.906 5.716 -16.208 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.748 7.029 -16.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 4.036 6.863 -18.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 4.365 8.337 -17.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.487 7.065 -17.462 1.00 0.00 H new ATOM 1219 N ASP A 82 8.179 9.319 -12.746 1.00 0.00 N ATOM 1220 CA ASP A 82 8.748 10.472 -12.058 1.00 0.00 C ATOM 1221 C ASP A 82 8.036 10.719 -10.731 1.00 0.00 C ATOM 1222 O ASP A 82 8.643 10.637 -9.665 1.00 0.00 O ATOM 1223 CB ASP A 82 8.653 11.717 -12.941 1.00 0.00 C ATOM 1224 CG ASP A 82 9.760 12.714 -12.658 1.00 0.00 C ATOM 1225 OD1 ASP A 82 10.917 12.440 -13.039 1.00 0.00 O ATOM 1226 OD2 ASP A 82 9.468 13.768 -12.055 1.00 0.00 O ATOM 0 H ASP A 82 7.629 9.551 -13.573 1.00 0.00 H new ATOM 0 HA ASP A 82 9.797 10.260 -11.853 1.00 0.00 H new ATOM 0 HB2 ASP A 82 8.695 11.420 -13.989 1.00 0.00 H new ATOM 0 HB3 ASP A 82 7.687 12.197 -12.784 1.00 0.00 H new ATOM 1231 N GLY A 83 6.744 11.023 -10.806 1.00 0.00 N ATOM 1232 CA GLY A 83 5.971 11.278 -9.605 1.00 0.00 C ATOM 1233 C GLY A 83 5.021 10.144 -9.274 1.00 0.00 C ATOM 1234 O GLY A 83 3.877 10.377 -8.885 1.00 0.00 O ATOM 0 H GLY A 83 6.219 11.097 -11.677 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.650 11.435 -8.767 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.402 12.199 -9.732 1.00 0.00 H new ATOM 1238 N SER A 84 5.496 8.912 -9.430 1.00 0.00 N ATOM 1239 CA SER A 84 4.679 7.737 -9.150 1.00 0.00 C ATOM 1240 C SER A 84 5.556 6.533 -8.816 1.00 0.00 C ATOM 1241 O SER A 84 6.641 6.368 -9.372 1.00 0.00 O ATOM 1242 CB SER A 84 3.785 7.414 -10.349 1.00 0.00 C ATOM 1243 OG SER A 84 2.564 8.131 -10.282 1.00 0.00 O ATOM 0 H SER A 84 6.442 8.702 -9.749 1.00 0.00 H new ATOM 0 HA SER A 84 4.051 7.958 -8.287 1.00 0.00 H new ATOM 0 HB2 SER A 84 4.307 7.663 -11.273 1.00 0.00 H new ATOM 0 HB3 SER A 84 3.581 6.344 -10.377 1.00 0.00 H new ATOM 0 HG SER A 84 2.715 8.994 -9.843 1.00 0.00 H new ATOM 1249 N PHE A 85 5.076 5.695 -7.903 1.00 0.00 N ATOM 1250 CA PHE A 85 5.814 4.507 -7.493 1.00 0.00 C ATOM 1251 C PHE A 85 4.947 3.258 -7.616 1.00 0.00 C ATOM 1252 O PHE A 85 3.742 3.299 -7.365 1.00 0.00 O ATOM 1253 CB PHE A 85 6.308 4.659 -6.053 1.00 0.00 C ATOM 1254 CG PHE A 85 7.536 5.514 -5.926 1.00 0.00 C ATOM 1255 CD1 PHE A 85 7.442 6.896 -5.970 1.00 0.00 C ATOM 1256 CD2 PHE A 85 8.785 4.936 -5.764 1.00 0.00 C ATOM 1257 CE1 PHE A 85 8.570 7.685 -5.856 1.00 0.00 C ATOM 1258 CE2 PHE A 85 9.917 5.721 -5.648 1.00 0.00 C ATOM 1259 CZ PHE A 85 9.809 7.097 -5.693 1.00 0.00 C ATOM 0 H PHE A 85 4.179 5.817 -7.433 1.00 0.00 H new ATOM 0 HA PHE A 85 6.673 4.398 -8.155 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.511 5.091 -5.448 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.519 3.671 -5.644 1.00 0.00 H new ATOM 0 HD1 PHE A 85 6.475 7.361 -6.095 1.00 0.00 H new ATOM 0 HD2 PHE A 85 8.875 3.860 -5.728 1.00 0.00 H new ATOM 0 HE1 PHE A 85 8.483 8.761 -5.894 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.885 5.259 -5.522 1.00 0.00 H new ATOM 0 HZ PHE A 85 10.692 7.712 -5.601 1.00 0.00 H new ATOM 1269 N ILE A 86 5.568 2.149 -8.005 1.00 0.00 N ATOM 1270 CA ILE A 86 4.854 0.889 -8.161 1.00 0.00 C ATOM 1271 C ILE A 86 5.044 -0.006 -6.942 1.00 0.00 C ATOM 1272 O ILE A 86 6.136 -0.082 -6.378 1.00 0.00 O ATOM 1273 CB ILE A 86 5.319 0.130 -9.418 1.00 0.00 C ATOM 1274 CG1 ILE A 86 4.362 -1.023 -9.728 1.00 0.00 C ATOM 1275 CG2 ILE A 86 6.737 -0.388 -9.230 1.00 0.00 C ATOM 1276 CD1 ILE A 86 4.527 -1.587 -11.122 1.00 0.00 C ATOM 0 H ILE A 86 6.564 2.098 -8.218 1.00 0.00 H new ATOM 0 HA ILE A 86 3.798 1.137 -8.266 1.00 0.00 H new ATOM 0 HB ILE A 86 5.314 0.819 -10.263 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.519 -1.820 -9.001 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.336 -0.676 -9.604 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.051 -0.922 -10.127 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.410 0.451 -9.053 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.767 -1.064 -8.376 1.00 0.00 H new ATOM 0 HD11 ILE A 86 3.817 -2.400 -11.272 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.341 -0.803 -11.856 1.00 0.00 H new ATOM 0 HD13 ILE A 86 5.542 -1.965 -11.244 1.00 0.00 H new ATOM 1288 N VAL A 87 3.975 -0.685 -6.539 1.00 0.00 N ATOM 1289 CA VAL A 87 4.024 -1.578 -5.388 1.00 0.00 C ATOM 1290 C VAL A 87 3.671 -3.007 -5.784 1.00 0.00 C ATOM 1291 O VAL A 87 2.652 -3.248 -6.433 1.00 0.00 O ATOM 1292 CB VAL A 87 3.065 -1.113 -4.275 1.00 0.00 C ATOM 1293 CG1 VAL A 87 3.328 -1.881 -2.989 1.00 0.00 C ATOM 1294 CG2 VAL A 87 3.198 0.385 -4.049 1.00 0.00 C ATOM 0 H VAL A 87 3.063 -0.633 -6.993 1.00 0.00 H new ATOM 0 HA VAL A 87 5.046 -1.551 -5.011 1.00 0.00 H new ATOM 0 HB VAL A 87 2.042 -1.320 -4.590 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.642 -1.539 -2.214 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.177 -2.946 -3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 87 4.355 -1.709 -2.666 1.00 0.00 H new ATOM 0 HG21 VAL A 87 2.514 0.696 -3.260 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.221 0.619 -3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.955 0.915 -4.970 1.00 0.00 H new ATOM 1304 N ARG A 88 4.519 -3.951 -5.390 1.00 0.00 N ATOM 1305 CA ARG A 88 4.296 -5.357 -5.706 1.00 0.00 C ATOM 1306 C ARG A 88 4.714 -6.249 -4.539 1.00 0.00 C ATOM 1307 O ARG A 88 5.486 -5.835 -3.674 1.00 0.00 O ATOM 1308 CB ARG A 88 5.073 -5.749 -6.964 1.00 0.00 C ATOM 1309 CG ARG A 88 6.565 -5.475 -6.869 1.00 0.00 C ATOM 1310 CD ARG A 88 7.266 -5.746 -8.190 1.00 0.00 C ATOM 1311 NE ARG A 88 7.410 -7.176 -8.450 1.00 0.00 N ATOM 1312 CZ ARG A 88 6.461 -7.921 -9.006 1.00 0.00 C ATOM 1313 NH1 ARG A 88 5.305 -7.374 -9.357 1.00 0.00 N ATOM 1314 NH2 ARG A 88 6.666 -9.216 -9.210 1.00 0.00 N ATOM 0 H ARG A 88 5.366 -3.768 -4.852 1.00 0.00 H new ATOM 0 HA ARG A 88 3.230 -5.498 -5.887 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.919 -6.810 -7.160 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.666 -5.205 -7.816 1.00 0.00 H new ATOM 0 HG2 ARG A 88 6.728 -4.438 -6.576 1.00 0.00 H new ATOM 0 HG3 ARG A 88 7.002 -6.099 -6.089 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.702 -5.285 -9.001 1.00 0.00 H new ATOM 0 HD3 ARG A 88 8.251 -5.278 -8.181 1.00 0.00 H new ATOM 0 HE ARG A 88 8.287 -7.627 -8.190 1.00 0.00 H new ATOM 0 HH11 ARG A 88 5.143 -6.379 -9.200 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.578 -7.948 -9.784 1.00 0.00 H new ATOM 0 HH21 ARG A 88 7.553 -9.641 -8.940 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.936 -9.787 -9.637 1.00 0.00 H new ATOM 1328 N TYR A 89 4.197 -7.472 -4.523 1.00 0.00 N ATOM 1329 CA TYR A 89 4.514 -8.421 -3.462 1.00 0.00 C ATOM 1330 C TYR A 89 4.466 -9.855 -3.981 1.00 0.00 C ATOM 1331 O TYR A 89 4.005 -10.109 -5.093 1.00 0.00 O ATOM 1332 CB TYR A 89 3.539 -8.257 -2.294 1.00 0.00 C ATOM 1333 CG TYR A 89 2.118 -8.647 -2.633 1.00 0.00 C ATOM 1334 CD1 TYR A 89 1.782 -9.970 -2.889 1.00 0.00 C ATOM 1335 CD2 TYR A 89 1.111 -7.692 -2.695 1.00 0.00 C ATOM 1336 CE1 TYR A 89 0.486 -10.331 -3.199 1.00 0.00 C ATOM 1337 CE2 TYR A 89 -0.189 -8.043 -3.003 1.00 0.00 C ATOM 1338 CZ TYR A 89 -0.497 -9.364 -3.255 1.00 0.00 C ATOM 1339 OH TYR A 89 -1.790 -9.720 -3.562 1.00 0.00 O ATOM 0 H TYR A 89 3.557 -7.830 -5.232 1.00 0.00 H new ATOM 0 HA TYR A 89 5.526 -8.213 -3.114 1.00 0.00 H new ATOM 0 HB2 TYR A 89 3.883 -8.863 -1.456 1.00 0.00 H new ATOM 0 HB3 TYR A 89 3.553 -7.219 -1.963 1.00 0.00 H new ATOM 0 HD1 TYR A 89 2.548 -10.730 -2.845 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.349 -6.657 -2.499 1.00 0.00 H new ATOM 0 HE1 TYR A 89 0.243 -11.365 -3.397 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -0.960 -7.288 -3.046 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.359 -8.922 -3.559 1.00 0.00 H new ATOM 1349 N ARG A 90 4.946 -10.788 -3.166 1.00 0.00 N ATOM 1350 CA ARG A 90 4.959 -12.197 -3.541 1.00 0.00 C ATOM 1351 C ARG A 90 4.075 -13.017 -2.606 1.00 0.00 C ATOM 1352 O ARG A 90 4.015 -12.757 -1.405 1.00 0.00 O ATOM 1353 CB ARG A 90 6.389 -12.740 -3.516 1.00 0.00 C ATOM 1354 CG ARG A 90 7.132 -12.562 -4.829 1.00 0.00 C ATOM 1355 CD ARG A 90 7.695 -11.156 -4.965 1.00 0.00 C ATOM 1356 NE ARG A 90 8.744 -11.081 -5.978 1.00 0.00 N ATOM 1357 CZ ARG A 90 10.001 -11.454 -5.762 1.00 0.00 C ATOM 1358 NH1 ARG A 90 10.362 -11.925 -4.577 1.00 0.00 N ATOM 1359 NH2 ARG A 90 10.899 -11.356 -6.734 1.00 0.00 N ATOM 0 H ARG A 90 5.331 -10.594 -2.242 1.00 0.00 H new ATOM 0 HA ARG A 90 4.563 -12.281 -4.553 1.00 0.00 H new ATOM 0 HB2 ARG A 90 6.945 -12.239 -2.723 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.361 -13.800 -3.265 1.00 0.00 H new ATOM 0 HG2 ARG A 90 7.943 -13.287 -4.890 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.458 -12.767 -5.660 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.891 -10.467 -5.224 1.00 0.00 H new ATOM 0 HD3 ARG A 90 8.095 -10.831 -4.004 1.00 0.00 H new ATOM 0 HE ARG A 90 8.499 -10.723 -6.901 1.00 0.00 H new ATOM 0 HH11 ARG A 90 9.674 -12.002 -3.828 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.328 -12.211 -4.414 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.625 -10.994 -7.647 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.864 -11.642 -6.568 1.00 0.00 H new ATOM 1373 N MET A 91 3.390 -14.009 -3.167 1.00 0.00 N ATOM 1374 CA MET A 91 2.510 -14.867 -2.383 1.00 0.00 C ATOM 1375 C MET A 91 2.219 -16.169 -3.123 1.00 0.00 C ATOM 1376 O MET A 91 1.465 -16.185 -4.097 1.00 0.00 O ATOM 1377 CB MET A 91 1.200 -14.141 -2.070 1.00 0.00 C ATOM 1378 CG MET A 91 0.574 -14.559 -0.750 1.00 0.00 C ATOM 1379 SD MET A 91 -0.590 -15.924 -0.934 1.00 0.00 S ATOM 1380 CE MET A 91 -1.664 -15.645 0.472 1.00 0.00 C ATOM 0 H MET A 91 3.428 -14.238 -4.160 1.00 0.00 H new ATOM 0 HA MET A 91 3.016 -15.107 -1.448 1.00 0.00 H new ATOM 0 HB2 MET A 91 1.385 -13.067 -2.051 1.00 0.00 H new ATOM 0 HB3 MET A 91 0.489 -14.328 -2.875 1.00 0.00 H new ATOM 0 HG2 MET A 91 1.362 -14.850 -0.055 1.00 0.00 H new ATOM 0 HG3 MET A 91 0.060 -13.705 -0.310 1.00 0.00 H new ATOM 0 HE1 MET A 91 -2.395 -16.451 0.537 1.00 0.00 H new ATOM 0 HE2 MET A 91 -1.069 -15.621 1.385 1.00 0.00 H new ATOM 0 HE3 MET A 91 -2.182 -14.694 0.351 1.00 0.00 H new ATOM 1390 N TYR A 92 2.822 -17.257 -2.657 1.00 0.00 N ATOM 1391 CA TYR A 92 2.629 -18.562 -3.277 1.00 0.00 C ATOM 1392 C TYR A 92 1.506 -19.332 -2.589 1.00 0.00 C ATOM 1393 O TYR A 92 1.597 -20.544 -2.396 1.00 0.00 O ATOM 1394 CB TYR A 92 3.926 -19.372 -3.222 1.00 0.00 C ATOM 1395 CG TYR A 92 5.174 -18.521 -3.279 1.00 0.00 C ATOM 1396 CD1 TYR A 92 5.221 -17.373 -4.060 1.00 0.00 C ATOM 1397 CD2 TYR A 92 6.307 -18.866 -2.551 1.00 0.00 C ATOM 1398 CE1 TYR A 92 6.360 -16.593 -4.115 1.00 0.00 C ATOM 1399 CE2 TYR A 92 7.450 -18.091 -2.600 1.00 0.00 C ATOM 1400 CZ TYR A 92 7.472 -16.956 -3.383 1.00 0.00 C ATOM 1401 OH TYR A 92 8.608 -16.181 -3.435 1.00 0.00 O ATOM 0 H TYR A 92 3.448 -17.261 -1.852 1.00 0.00 H new ATOM 0 HA TYR A 92 2.350 -18.403 -4.319 1.00 0.00 H new ATOM 0 HB2 TYR A 92 3.939 -19.960 -2.304 1.00 0.00 H new ATOM 0 HB3 TYR A 92 3.939 -20.078 -4.053 1.00 0.00 H new ATOM 0 HD1 TYR A 92 4.352 -17.085 -4.634 1.00 0.00 H new ATOM 0 HD2 TYR A 92 6.294 -19.754 -1.937 1.00 0.00 H new ATOM 0 HE1 TYR A 92 6.380 -15.704 -4.728 1.00 0.00 H new ATOM 0 HE2 TYR A 92 8.322 -18.373 -2.028 1.00 0.00 H new ATOM 0 HH TYR A 92 9.299 -16.574 -2.862 1.00 0.00 H new ATOM 1411 N ALA A 93 0.447 -18.618 -2.222 1.00 0.00 N ATOM 1412 CA ALA A 93 -0.696 -19.233 -1.559 1.00 0.00 C ATOM 1413 C ALA A 93 -2.008 -18.774 -2.186 1.00 0.00 C ATOM 1414 O ALA A 93 -2.029 -17.843 -2.992 1.00 0.00 O ATOM 1415 CB ALA A 93 -0.679 -18.911 -0.072 1.00 0.00 C ATOM 0 H ALA A 93 0.357 -17.613 -2.373 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.621 -20.313 -1.687 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.538 -19.376 0.411 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.239 -19.295 0.373 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.726 -17.831 0.067 1.00 0.00 H new ATOM 1421 N SER A 94 -3.100 -19.432 -1.812 1.00 0.00 N ATOM 1422 CA SER A 94 -4.416 -19.094 -2.342 1.00 0.00 C ATOM 1423 C SER A 94 -5.186 -18.214 -1.363 1.00 0.00 C ATOM 1424 O SER A 94 -5.535 -18.646 -0.264 1.00 0.00 O ATOM 1425 CB SER A 94 -5.213 -20.366 -2.638 1.00 0.00 C ATOM 1426 OG SER A 94 -4.531 -21.191 -3.567 1.00 0.00 O ATOM 0 H SER A 94 -3.100 -20.203 -1.144 1.00 0.00 H new ATOM 0 HA SER A 94 -4.275 -18.539 -3.269 1.00 0.00 H new ATOM 0 HB2 SER A 94 -5.381 -20.917 -1.713 1.00 0.00 H new ATOM 0 HB3 SER A 94 -6.193 -20.101 -3.034 1.00 0.00 H new ATOM 0 HG SER A 94 -5.060 -21.998 -3.738 1.00 0.00 H new ATOM 1432 N TYR A 95 -5.448 -16.977 -1.769 1.00 0.00 N ATOM 1433 CA TYR A 95 -6.175 -16.033 -0.928 1.00 0.00 C ATOM 1434 C TYR A 95 -7.327 -15.393 -1.697 1.00 0.00 C ATOM 1435 O TYR A 95 -7.206 -15.093 -2.885 1.00 0.00 O ATOM 1436 CB TYR A 95 -5.230 -14.949 -0.407 1.00 0.00 C ATOM 1437 CG TYR A 95 -4.898 -13.891 -1.434 1.00 0.00 C ATOM 1438 CD1 TYR A 95 -5.814 -12.898 -1.759 1.00 0.00 C ATOM 1439 CD2 TYR A 95 -3.668 -13.884 -2.080 1.00 0.00 C ATOM 1440 CE1 TYR A 95 -5.515 -11.930 -2.697 1.00 0.00 C ATOM 1441 CE2 TYR A 95 -3.359 -12.918 -3.019 1.00 0.00 C ATOM 1442 CZ TYR A 95 -4.286 -11.943 -3.324 1.00 0.00 C ATOM 1443 OH TYR A 95 -3.984 -10.981 -4.260 1.00 0.00 O ATOM 0 H TYR A 95 -5.168 -16.604 -2.676 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.588 -16.583 -0.082 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.683 -14.471 0.462 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.306 -15.417 -0.068 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -6.777 -12.883 -1.269 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -2.941 -14.647 -1.844 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -6.240 -11.166 -2.939 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -2.398 -12.926 -3.511 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.018 -10.813 -4.257 1.00 0.00 H new ATOM 1453 N LYS A 96 -8.445 -15.185 -1.010 1.00 0.00 N ATOM 1454 CA LYS A 96 -9.620 -14.579 -1.624 1.00 0.00 C ATOM 1455 C LYS A 96 -9.787 -13.133 -1.168 1.00 0.00 C ATOM 1456 O LYS A 96 -10.098 -12.252 -1.968 1.00 0.00 O ATOM 1457 CB LYS A 96 -10.875 -15.383 -1.277 1.00 0.00 C ATOM 1458 CG LYS A 96 -11.013 -16.668 -2.074 1.00 0.00 C ATOM 1459 CD LYS A 96 -9.990 -17.705 -1.641 1.00 0.00 C ATOM 1460 CE LYS A 96 -10.189 -19.024 -2.374 1.00 0.00 C ATOM 1461 NZ LYS A 96 -9.581 -20.165 -1.635 1.00 0.00 N ATOM 0 H LYS A 96 -8.562 -15.428 -0.026 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.479 -14.587 -2.705 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -10.859 -15.624 -0.214 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.754 -14.762 -1.450 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.018 -17.071 -1.946 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.889 -16.454 -3.136 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.985 -17.329 -1.833 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -10.069 -17.869 -0.566 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.255 -19.206 -2.511 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.747 -18.958 -3.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.738 -21.045 -2.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.559 -20.003 -1.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.021 -20.244 -0.696 1.00 0.00 H new ATOM 1475 N ASN A 97 -9.579 -12.897 0.123 1.00 0.00 N ATOM 1476 CA ASN A 97 -9.706 -11.557 0.686 1.00 0.00 C ATOM 1477 C ASN A 97 -8.412 -11.130 1.372 1.00 0.00 C ATOM 1478 O ASN A 97 -7.688 -11.958 1.927 1.00 0.00 O ATOM 1479 CB ASN A 97 -10.866 -11.508 1.683 1.00 0.00 C ATOM 1480 CG ASN A 97 -12.089 -12.253 1.184 1.00 0.00 C ATOM 1481 OD1 ASN A 97 -12.314 -12.362 -0.021 1.00 0.00 O ATOM 1482 ND2 ASN A 97 -12.886 -12.770 2.112 1.00 0.00 N ATOM 0 H ASN A 97 -9.322 -13.616 0.799 1.00 0.00 H new ATOM 0 HA ASN A 97 -9.908 -10.864 -0.131 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.544 -11.937 2.632 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -11.131 -10.469 1.877 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -13.724 -13.282 1.837 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -12.660 -12.655 3.100 1.00 0.00 H new ATOM 1489 N LEU A 98 -8.127 -9.833 1.331 1.00 0.00 N ATOM 1490 CA LEU A 98 -6.921 -9.295 1.950 1.00 0.00 C ATOM 1491 C LEU A 98 -7.116 -7.834 2.342 1.00 0.00 C ATOM 1492 O LEU A 98 -8.032 -7.167 1.861 1.00 0.00 O ATOM 1493 CB LEU A 98 -5.733 -9.424 0.994 1.00 0.00 C ATOM 1494 CG LEU A 98 -5.056 -10.794 0.947 1.00 0.00 C ATOM 1495 CD1 LEU A 98 -3.966 -10.814 -0.113 1.00 0.00 C ATOM 1496 CD2 LEU A 98 -4.483 -11.154 2.310 1.00 0.00 C ATOM 0 H LEU A 98 -8.715 -9.135 0.876 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.718 -9.870 2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.072 -9.174 -0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.986 -8.681 1.272 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.806 -11.539 0.683 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.495 -11.797 -0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.403 -10.602 -1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.217 -10.057 0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.005 -12.132 2.257 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.747 -10.406 2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.286 -11.182 3.046 1.00 0.00 H new ATOM 1508 N LYS A 99 -6.247 -7.341 3.218 1.00 0.00 N ATOM 1509 CA LYS A 99 -6.320 -5.958 3.674 1.00 0.00 C ATOM 1510 C LYS A 99 -5.090 -5.173 3.229 1.00 0.00 C ATOM 1511 O LYS A 99 -3.976 -5.697 3.223 1.00 0.00 O ATOM 1512 CB LYS A 99 -6.447 -5.907 5.198 1.00 0.00 C ATOM 1513 CG LYS A 99 -6.130 -4.545 5.790 1.00 0.00 C ATOM 1514 CD LYS A 99 -6.855 -4.327 7.107 1.00 0.00 C ATOM 1515 CE LYS A 99 -6.567 -5.448 8.094 1.00 0.00 C ATOM 1516 NZ LYS A 99 -6.868 -5.044 9.496 1.00 0.00 N ATOM 0 H LYS A 99 -5.483 -7.879 3.627 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.203 -5.501 3.227 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.462 -6.189 5.479 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.778 -6.648 5.635 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.055 -4.457 5.947 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.414 -3.765 5.084 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.550 -3.374 7.538 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.928 -4.266 6.927 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.162 -6.323 7.833 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.520 -5.739 8.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -6.659 -5.835 10.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.282 -4.224 9.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.873 -4.790 9.576 1.00 0.00 H new ATOM 1530 N VAL A 100 -5.299 -3.914 2.859 1.00 0.00 N ATOM 1531 CA VAL A 100 -4.207 -3.056 2.416 1.00 0.00 C ATOM 1532 C VAL A 100 -4.101 -1.807 3.284 1.00 0.00 C ATOM 1533 O VAL A 100 -5.111 -1.239 3.696 1.00 0.00 O ATOM 1534 CB VAL A 100 -4.387 -2.631 0.946 1.00 0.00 C ATOM 1535 CG1 VAL A 100 -3.257 -1.710 0.513 1.00 0.00 C ATOM 1536 CG2 VAL A 100 -4.464 -3.854 0.044 1.00 0.00 C ATOM 0 H VAL A 100 -6.215 -3.465 2.857 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.291 -3.639 2.509 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.324 -2.082 0.857 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.402 -1.421 -0.528 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.254 -0.819 1.140 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.304 -2.230 0.616 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.591 -3.536 -0.991 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -3.544 -4.432 0.135 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.312 -4.472 0.340 1.00 0.00 H new ATOM 1546 N GLU A 101 -2.870 -1.386 3.558 1.00 0.00 N ATOM 1547 CA GLU A 101 -2.633 -0.204 4.379 1.00 0.00 C ATOM 1548 C GLU A 101 -1.471 0.617 3.827 1.00 0.00 C ATOM 1549 O GLU A 101 -0.428 0.071 3.467 1.00 0.00 O ATOM 1550 CB GLU A 101 -2.343 -0.611 5.825 1.00 0.00 C ATOM 1551 CG GLU A 101 -3.591 -0.742 6.682 1.00 0.00 C ATOM 1552 CD GLU A 101 -3.328 -1.467 7.988 1.00 0.00 C ATOM 1553 OE1 GLU A 101 -2.599 -2.481 7.967 1.00 0.00 O ATOM 1554 OE2 GLU A 101 -3.851 -1.021 9.031 1.00 0.00 O ATOM 0 H GLU A 101 -2.023 -1.845 3.224 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.533 0.411 4.356 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.810 -1.562 5.826 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.679 0.127 6.275 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.987 0.251 6.895 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.358 -1.277 6.122 1.00 0.00 H new ATOM 1561 N ILE A 102 -1.660 1.930 3.764 1.00 0.00 N ATOM 1562 CA ILE A 102 -0.629 2.827 3.257 1.00 0.00 C ATOM 1563 C ILE A 102 -0.463 4.043 4.162 1.00 0.00 C ATOM 1564 O ILE A 102 -1.331 4.915 4.214 1.00 0.00 O ATOM 1565 CB ILE A 102 -0.950 3.304 1.829 1.00 0.00 C ATOM 1566 CG1 ILE A 102 -1.465 2.139 0.982 1.00 0.00 C ATOM 1567 CG2 ILE A 102 0.281 3.928 1.189 1.00 0.00 C ATOM 1568 CD1 ILE A 102 -2.955 1.914 1.106 1.00 0.00 C ATOM 0 H ILE A 102 -2.518 2.397 4.058 1.00 0.00 H new ATOM 0 HA ILE A 102 0.302 2.260 3.241 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.731 4.062 1.883 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -1.220 2.324 -0.064 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.943 1.228 1.275 1.00 0.00 H new ATOM 0 HG21 ILE A 102 0.038 4.260 0.180 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.607 4.782 1.783 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.082 3.190 1.145 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.249 1.073 0.478 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -3.205 1.697 2.144 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.486 2.810 0.785 1.00 0.00 H new ATOM 1580 N LYS A 103 0.657 4.095 4.874 1.00 0.00 N ATOM 1581 CA LYS A 103 0.940 5.206 5.776 1.00 0.00 C ATOM 1582 C LYS A 103 2.320 5.793 5.500 1.00 0.00 C ATOM 1583 O LYS A 103 3.181 5.134 4.918 1.00 0.00 O ATOM 1584 CB LYS A 103 0.854 4.741 7.232 1.00 0.00 C ATOM 1585 CG LYS A 103 -0.568 4.507 7.713 1.00 0.00 C ATOM 1586 CD LYS A 103 -1.029 3.089 7.421 1.00 0.00 C ATOM 1587 CE LYS A 103 -0.703 2.149 8.571 1.00 0.00 C ATOM 1588 NZ LYS A 103 -1.669 1.019 8.655 1.00 0.00 N ATOM 0 H LYS A 103 1.384 3.381 4.844 1.00 0.00 H new ATOM 0 HA LYS A 103 0.194 5.981 5.603 1.00 0.00 H new ATOM 0 HB2 LYS A 103 1.423 3.818 7.344 1.00 0.00 H new ATOM 0 HB3 LYS A 103 1.327 5.487 7.871 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.626 4.696 8.785 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -1.239 5.216 7.227 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -2.104 3.085 7.240 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -0.551 2.730 6.510 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.306 1.756 8.444 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -0.712 2.705 9.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -1.982 0.902 9.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -2.492 1.220 8.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -1.209 0.144 8.332 1.00 0.00 H new ATOM 1602 N PHE A 104 2.524 7.037 5.922 1.00 0.00 N ATOM 1603 CA PHE A 104 3.800 7.713 5.721 1.00 0.00 C ATOM 1604 C PHE A 104 4.279 8.368 7.013 1.00 0.00 C ATOM 1605 O PHE A 104 3.684 9.336 7.487 1.00 0.00 O ATOM 1606 CB PHE A 104 3.675 8.766 4.618 1.00 0.00 C ATOM 1607 CG PHE A 104 4.642 9.905 4.764 1.00 0.00 C ATOM 1608 CD1 PHE A 104 6.004 9.698 4.617 1.00 0.00 C ATOM 1609 CD2 PHE A 104 4.190 11.184 5.048 1.00 0.00 C ATOM 1610 CE1 PHE A 104 6.898 10.744 4.750 1.00 0.00 C ATOM 1611 CE2 PHE A 104 5.078 12.234 5.182 1.00 0.00 C ATOM 1612 CZ PHE A 104 6.434 12.014 5.034 1.00 0.00 C ATOM 0 H PHE A 104 1.822 7.597 6.405 1.00 0.00 H new ATOM 0 HA PHE A 104 4.534 6.966 5.420 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.832 8.288 3.651 1.00 0.00 H new ATOM 0 HB3 PHE A 104 2.659 9.161 4.617 1.00 0.00 H new ATOM 0 HD1 PHE A 104 6.372 8.707 4.396 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.131 11.362 5.166 1.00 0.00 H new ATOM 0 HE1 PHE A 104 7.957 10.569 4.632 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.712 13.226 5.402 1.00 0.00 H new ATOM 0 HZ PHE A 104 7.130 12.833 5.140 1.00 0.00 H new ATOM 1622 N GLN A 105 5.357 7.833 7.577 1.00 0.00 N ATOM 1623 CA GLN A 105 5.914 8.365 8.815 1.00 0.00 C ATOM 1624 C GLN A 105 4.816 8.620 9.841 1.00 0.00 C ATOM 1625 O GLN A 105 4.835 9.627 10.549 1.00 0.00 O ATOM 1626 CB GLN A 105 6.682 9.659 8.539 1.00 0.00 C ATOM 1627 CG GLN A 105 8.097 9.431 8.033 1.00 0.00 C ATOM 1628 CD GLN A 105 9.013 10.607 8.312 1.00 0.00 C ATOM 1629 OE1 GLN A 105 8.557 11.739 8.474 1.00 0.00 O ATOM 1630 NE2 GLN A 105 10.313 10.344 8.371 1.00 0.00 N ATOM 0 H GLN A 105 5.862 7.032 7.197 1.00 0.00 H new ATOM 0 HA GLN A 105 6.601 7.623 9.223 1.00 0.00 H new ATOM 0 HB2 GLN A 105 6.133 10.248 7.804 1.00 0.00 H new ATOM 0 HB3 GLN A 105 6.723 10.249 9.454 1.00 0.00 H new ATOM 0 HG2 GLN A 105 8.507 8.537 8.502 1.00 0.00 H new ATOM 0 HG3 GLN A 105 8.069 9.244 6.960 1.00 0.00 H new ATOM 0 HE21 GLN A 105 10.647 9.391 8.231 1.00 0.00 H new ATOM 0 HE22 GLN A 105 10.977 11.095 8.557 1.00 0.00 H new ATOM 1639 N GLY A 106 3.857 7.702 9.916 1.00 0.00 N ATOM 1640 CA GLY A 106 2.763 7.846 10.859 1.00 0.00 C ATOM 1641 C GLY A 106 1.673 8.765 10.345 1.00 0.00 C ATOM 1642 O GLY A 106 1.037 9.478 11.121 1.00 0.00 O ATOM 0 H GLY A 106 3.818 6.861 9.340 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.337 6.865 11.070 1.00 0.00 H new ATOM 0 HA3 GLY A 106 3.148 8.236 11.801 1.00 0.00 H new ATOM 1646 N GLN A 107 1.458 8.751 9.033 1.00 0.00 N ATOM 1647 CA GLN A 107 0.439 9.592 8.417 1.00 0.00 C ATOM 1648 C GLN A 107 -0.235 8.868 7.256 1.00 0.00 C ATOM 1649 O GLN A 107 0.362 8.684 6.195 1.00 0.00 O ATOM 1650 CB GLN A 107 1.057 10.902 7.927 1.00 0.00 C ATOM 1651 CG GLN A 107 1.637 11.756 9.043 1.00 0.00 C ATOM 1652 CD GLN A 107 2.187 13.077 8.542 1.00 0.00 C ATOM 1653 OE1 GLN A 107 1.433 14.004 8.246 1.00 0.00 O ATOM 1654 NE2 GLN A 107 3.508 13.169 8.443 1.00 0.00 N ATOM 0 H GLN A 107 1.976 8.167 8.377 1.00 0.00 H new ATOM 0 HA GLN A 107 -0.317 9.815 9.170 1.00 0.00 H new ATOM 0 HB2 GLN A 107 1.844 10.676 7.207 1.00 0.00 H new ATOM 0 HB3 GLN A 107 0.297 11.477 7.398 1.00 0.00 H new ATOM 0 HG2 GLN A 107 0.864 11.948 9.788 1.00 0.00 H new ATOM 0 HG3 GLN A 107 2.432 11.202 9.543 1.00 0.00 H new ATOM 0 HE21 GLN A 107 4.095 12.375 8.699 1.00 0.00 H new ATOM 0 HE22 GLN A 107 3.936 14.033 8.111 1.00 0.00 H new ATOM 1663 N HIS A 108 -1.482 8.458 7.465 1.00 0.00 N ATOM 1664 CA HIS A 108 -2.238 7.754 6.434 1.00 0.00 C ATOM 1665 C HIS A 108 -2.396 8.621 5.189 1.00 0.00 C ATOM 1666 O HIS A 108 -2.573 9.835 5.283 1.00 0.00 O ATOM 1667 CB HIS A 108 -3.613 7.351 6.967 1.00 0.00 C ATOM 1668 CG HIS A 108 -3.568 6.218 7.945 1.00 0.00 C ATOM 1669 ND1 HIS A 108 -3.931 4.928 7.619 1.00 0.00 N ATOM 1670 CD2 HIS A 108 -3.198 6.186 9.247 1.00 0.00 C ATOM 1671 CE1 HIS A 108 -3.788 4.152 8.679 1.00 0.00 C ATOM 1672 NE2 HIS A 108 -3.344 4.891 9.680 1.00 0.00 N ATOM 0 H HIS A 108 -1.990 8.601 8.338 1.00 0.00 H new ATOM 0 HA HIS A 108 -1.684 6.856 6.161 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -4.076 8.215 7.445 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -4.251 7.071 6.129 1.00 0.00 H new ATOM 0 HD1 HIS A 108 -4.259 4.621 6.703 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -2.852 7.023 9.835 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -3.998 3.093 8.720 1.00 0.00 H new ATOM 1681 N VAL A 109 -2.329 7.988 4.021 1.00 0.00 N ATOM 1682 CA VAL A 109 -2.464 8.701 2.757 1.00 0.00 C ATOM 1683 C VAL A 109 -3.863 8.528 2.176 1.00 0.00 C ATOM 1684 O VAL A 109 -4.537 9.505 1.851 1.00 0.00 O ATOM 1685 CB VAL A 109 -1.428 8.217 1.725 1.00 0.00 C ATOM 1686 CG1 VAL A 109 -1.585 8.973 0.415 1.00 0.00 C ATOM 1687 CG2 VAL A 109 -0.018 8.372 2.274 1.00 0.00 C ATOM 0 H VAL A 109 -2.182 6.983 3.925 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.289 9.756 2.968 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.603 7.159 1.529 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.845 8.617 -0.301 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.585 8.806 0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.438 10.039 0.590 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.701 8.025 1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.171 9.421 2.500 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.085 7.780 3.184 1.00 0.00 H new ATOM 1697 N ALA A 110 -4.294 7.278 2.048 1.00 0.00 N ATOM 1698 CA ALA A 110 -5.614 6.976 1.508 1.00 0.00 C ATOM 1699 C ALA A 110 -6.580 6.571 2.615 1.00 0.00 C ATOM 1700 O ALA A 110 -6.254 6.654 3.800 1.00 0.00 O ATOM 1701 CB ALA A 110 -5.517 5.876 0.461 1.00 0.00 C ATOM 0 H ALA A 110 -3.748 6.457 2.311 1.00 0.00 H new ATOM 0 HA ALA A 110 -6.001 7.879 1.036 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -6.510 5.661 0.066 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.867 6.203 -0.351 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.105 4.976 0.916 1.00 0.00 H new ATOM 1707 N LYS A 111 -7.772 6.133 2.223 1.00 0.00 N ATOM 1708 CA LYS A 111 -8.787 5.714 3.183 1.00 0.00 C ATOM 1709 C LYS A 111 -8.449 4.348 3.771 1.00 0.00 C ATOM 1710 O LYS A 111 -9.298 3.459 3.828 1.00 0.00 O ATOM 1711 CB LYS A 111 -10.162 5.666 2.513 1.00 0.00 C ATOM 1712 CG LYS A 111 -10.620 7.007 1.967 1.00 0.00 C ATOM 1713 CD LYS A 111 -11.223 7.877 3.057 1.00 0.00 C ATOM 1714 CE LYS A 111 -12.692 7.551 3.281 1.00 0.00 C ATOM 1715 NZ LYS A 111 -13.570 8.245 2.298 1.00 0.00 N ATOM 0 H LYS A 111 -8.059 6.059 1.247 1.00 0.00 H new ATOM 0 HA LYS A 111 -8.809 6.443 3.993 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -10.135 4.942 1.699 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.896 5.307 3.234 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -9.774 7.524 1.514 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -11.356 6.848 1.179 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -10.671 7.733 3.986 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -11.120 8.927 2.785 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -12.841 6.474 3.204 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -12.978 7.841 4.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -14.563 7.997 2.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -13.447 9.274 2.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -13.314 7.949 1.334 1.00 0.00 H new ATOM 1729 N SER A 112 -7.204 4.189 4.209 1.00 0.00 N ATOM 1730 CA SER A 112 -6.753 2.930 4.791 1.00 0.00 C ATOM 1731 C SER A 112 -7.083 2.871 6.279 1.00 0.00 C ATOM 1732 O SER A 112 -7.261 3.893 6.943 1.00 0.00 O ATOM 1733 CB SER A 112 -5.247 2.758 4.584 1.00 0.00 C ATOM 1734 OG SER A 112 -4.524 3.178 5.727 1.00 0.00 O ATOM 0 H SER A 112 -6.490 4.916 4.172 1.00 0.00 H new ATOM 0 HA SER A 112 -7.277 2.117 4.288 1.00 0.00 H new ATOM 0 HB2 SER A 112 -5.023 1.713 4.372 1.00 0.00 H new ATOM 0 HB3 SER A 112 -4.928 3.335 3.716 1.00 0.00 H new ATOM 0 HG SER A 112 -3.595 3.363 5.477 1.00 0.00 H new ATOM 1740 N PRO A 113 -7.167 1.646 6.818 1.00 0.00 N ATOM 1741 CA PRO A 113 -6.958 0.422 6.038 1.00 0.00 C ATOM 1742 C PRO A 113 -8.086 0.169 5.043 1.00 0.00 C ATOM 1743 O PRO A 113 -9.185 0.704 5.187 1.00 0.00 O ATOM 1744 CB PRO A 113 -6.928 -0.677 7.103 1.00 0.00 C ATOM 1745 CG PRO A 113 -7.716 -0.124 8.240 1.00 0.00 C ATOM 1746 CD PRO A 113 -7.473 1.360 8.230 1.00 0.00 C ATOM 0 HA PRO A 113 -6.052 0.474 5.434 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -7.367 -1.602 6.730 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -5.906 -0.908 7.405 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -8.777 -0.346 8.124 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -7.399 -0.565 9.185 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -8.348 1.913 8.571 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -6.646 1.636 8.884 1.00 0.00 H new ATOM 1754 N TYR A 114 -7.806 -0.649 4.035 1.00 0.00 N ATOM 1755 CA TYR A 114 -8.797 -0.971 3.015 1.00 0.00 C ATOM 1756 C TYR A 114 -9.260 -2.419 3.143 1.00 0.00 C ATOM 1757 O TYR A 114 -8.542 -3.347 2.768 1.00 0.00 O ATOM 1758 CB TYR A 114 -8.219 -0.730 1.619 1.00 0.00 C ATOM 1759 CG TYR A 114 -8.382 0.692 1.133 1.00 0.00 C ATOM 1760 CD1 TYR A 114 -9.611 1.156 0.680 1.00 0.00 C ATOM 1761 CD2 TYR A 114 -7.307 1.572 1.127 1.00 0.00 C ATOM 1762 CE1 TYR A 114 -9.764 2.455 0.235 1.00 0.00 C ATOM 1763 CE2 TYR A 114 -7.451 2.873 0.685 1.00 0.00 C ATOM 1764 CZ TYR A 114 -8.682 3.310 0.240 1.00 0.00 C ATOM 1765 OH TYR A 114 -8.829 4.604 -0.202 1.00 0.00 O ATOM 0 H TYR A 114 -6.901 -1.101 3.902 1.00 0.00 H new ATOM 0 HA TYR A 114 -9.658 -0.319 3.162 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -7.159 -0.984 1.625 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -8.704 -1.404 0.913 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -10.461 0.490 0.676 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -6.342 1.233 1.474 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -10.726 2.799 -0.115 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -6.605 3.544 0.688 1.00 0.00 H new ATOM 0 HH TYR A 114 -9.756 4.750 -0.483 1.00 0.00 H new ATOM 1775 N ILE A 115 -10.463 -2.604 3.674 1.00 0.00 N ATOM 1776 CA ILE A 115 -11.024 -3.938 3.851 1.00 0.00 C ATOM 1777 C ILE A 115 -11.652 -4.445 2.557 1.00 0.00 C ATOM 1778 O ILE A 115 -12.718 -3.983 2.148 1.00 0.00 O ATOM 1779 CB ILE A 115 -12.085 -3.959 4.967 1.00 0.00 C ATOM 1780 CG1 ILE A 115 -11.611 -3.137 6.167 1.00 0.00 C ATOM 1781 CG2 ILE A 115 -12.386 -5.391 5.384 1.00 0.00 C ATOM 1782 CD1 ILE A 115 -10.308 -3.628 6.759 1.00 0.00 C ATOM 0 H ILE A 115 -11.069 -1.847 3.990 1.00 0.00 H new ATOM 0 HA ILE A 115 -10.200 -4.593 4.133 1.00 0.00 H new ATOM 0 HB ILE A 115 -13.003 -3.512 4.585 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -11.493 -2.097 5.861 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -12.381 -3.157 6.938 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -13.138 -5.390 6.173 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -12.762 -5.948 4.526 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -11.474 -5.862 5.752 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -10.033 -2.999 7.605 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -10.427 -4.658 7.096 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -9.524 -3.582 6.003 1.00 0.00 H new ATOM 1794 N LEU A 116 -10.985 -5.400 1.918 1.00 0.00 N ATOM 1795 CA LEU A 116 -11.479 -5.974 0.670 1.00 0.00 C ATOM 1796 C LEU A 116 -12.135 -7.328 0.916 1.00 0.00 C ATOM 1797 O LEU A 116 -11.455 -8.348 1.033 1.00 0.00 O ATOM 1798 CB LEU A 116 -10.334 -6.123 -0.333 1.00 0.00 C ATOM 1799 CG LEU A 116 -9.625 -4.831 -0.740 1.00 0.00 C ATOM 1800 CD1 LEU A 116 -8.613 -4.421 0.318 1.00 0.00 C ATOM 1801 CD2 LEU A 116 -8.948 -4.998 -2.093 1.00 0.00 C ATOM 0 H LEU A 116 -10.102 -5.793 2.243 1.00 0.00 H new ATOM 0 HA LEU A 116 -12.229 -5.298 0.259 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -9.594 -6.802 0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -10.725 -6.598 -1.233 1.00 0.00 H new ATOM 0 HG LEU A 116 -10.371 -4.041 -0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -8.119 -3.499 0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -9.124 -4.260 1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -7.870 -5.210 0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -8.448 -4.069 -2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -8.214 -5.802 -2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -9.696 -5.243 -2.847 1.00 0.00 H new ATOM 1813 N LYS A 117 -13.462 -7.332 0.991 1.00 0.00 N ATOM 1814 CA LYS A 117 -14.212 -8.562 1.219 1.00 0.00 C ATOM 1815 C LYS A 117 -15.470 -8.599 0.357 1.00 0.00 C ATOM 1816 O LYS A 117 -15.875 -7.586 -0.211 1.00 0.00 O ATOM 1817 CB LYS A 117 -14.590 -8.686 2.697 1.00 0.00 C ATOM 1818 CG LYS A 117 -15.643 -7.686 3.142 1.00 0.00 C ATOM 1819 CD LYS A 117 -16.015 -7.880 4.602 1.00 0.00 C ATOM 1820 CE LYS A 117 -17.197 -7.008 4.997 1.00 0.00 C ATOM 1821 NZ LYS A 117 -18.443 -7.408 4.286 1.00 0.00 N ATOM 0 H LYS A 117 -14.040 -6.497 0.897 1.00 0.00 H new ATOM 0 HA LYS A 117 -13.577 -9.403 0.941 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -14.956 -9.695 2.886 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -13.695 -8.553 3.305 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -15.270 -6.673 2.992 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -16.533 -7.793 2.522 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -16.259 -8.927 4.780 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -15.158 -7.640 5.232 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -17.355 -7.076 6.073 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -16.970 -5.966 4.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -19.266 -6.989 4.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -18.405 -7.070 3.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -18.529 -8.444 4.293 1.00 0.00 H new