USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 713 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 Single : A 13 SER OG : rot -136:sc= -0.827 USER MOD Single : A 17 LYS NZ :NH3+ -147:sc= -0.439 (180deg=-2.97!) USER MOD Single : A 23 LYS NZ :NH3+ -168:sc= 0.747 (180deg=0.644) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -1.31 K(o=-1.3,f=-0.04) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -52:sc= -1.51! USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -3.15! C(o=-3.2!,f=-6.6!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 80 THR OG1 : rot 32:sc= 0.201 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.692) USER MOD Single : A 98 HIS : no HD1:sc= -0.885 K(o=-0.89,f=-2) USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 129 N TRP A 12 -7.904 -1.999 2.387 1.00 0.00 N ATOM 130 CA TRP A 12 -7.492 -0.986 1.421 1.00 0.00 C ATOM 131 C TRP A 12 -8.571 -0.771 0.365 1.00 0.00 C ATOM 132 O TRP A 12 -9.651 -1.356 0.440 1.00 0.00 O ATOM 133 CB TRP A 12 -6.180 -1.394 0.751 1.00 0.00 C ATOM 134 CG TRP A 12 -5.070 -1.650 1.725 1.00 0.00 C ATOM 135 CD1 TRP A 12 -4.441 -0.728 2.512 1.00 0.00 C ATOM 136 CD2 TRP A 12 -4.457 -2.912 2.013 1.00 0.00 C ATOM 137 NE1 TRP A 12 -3.474 -1.341 3.273 1.00 0.00 N ATOM 138 CE2 TRP A 12 -3.464 -2.680 2.986 1.00 0.00 C ATOM 139 CE3 TRP A 12 -4.651 -4.214 1.546 1.00 0.00 C ATOM 140 CZ2 TRP A 12 -2.670 -3.703 3.497 1.00 0.00 C ATOM 141 CZ3 TRP A 12 -3.861 -5.228 2.054 1.00 0.00 C ATOM 142 CH2 TRP A 12 -2.881 -4.968 3.021 1.00 0.00 C ATOM 0 HA TRP A 12 -7.342 -0.049 1.957 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.348 -2.293 0.158 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -5.874 -0.609 0.060 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.670 0.327 2.533 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.863 -0.874 3.943 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -5.405 -4.425 0.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.914 -3.505 4.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -4.002 -6.238 1.699 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -2.280 -5.782 3.398 1.00 0.00 H new ATOM 153 N SER A 13 -8.271 0.072 -0.618 1.00 0.00 N ATOM 154 CA SER A 13 -9.218 0.367 -1.687 1.00 0.00 C ATOM 155 C SER A 13 -8.663 -0.069 -3.039 1.00 0.00 C ATOM 156 O SER A 13 -7.466 0.036 -3.311 1.00 0.00 O ATOM 157 CB SER A 13 -9.540 1.862 -1.714 1.00 0.00 C ATOM 158 OG SER A 13 -10.844 2.094 -2.217 1.00 0.00 O ATOM 0 H SER A 13 -7.380 0.562 -0.696 1.00 0.00 H new ATOM 0 HA SER A 13 -10.134 -0.191 -1.492 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.456 2.273 -0.708 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.810 2.383 -2.333 1.00 0.00 H new ATOM 0 HG SER A 13 -10.823 2.845 -2.846 1.00 0.00 H new ATOM 164 N PRO A 14 -9.552 -0.571 -3.909 1.00 0.00 N ATOM 165 CA PRO A 14 -9.175 -1.033 -5.248 1.00 0.00 C ATOM 166 C PRO A 14 -8.778 0.116 -6.168 1.00 0.00 C ATOM 167 O PRO A 14 -8.484 -0.092 -7.344 1.00 0.00 O ATOM 168 CB PRO A 14 -10.448 -1.712 -5.760 1.00 0.00 C ATOM 169 CG PRO A 14 -11.555 -1.059 -5.007 1.00 0.00 C ATOM 170 CD PRO A 14 -10.993 -0.726 -3.652 1.00 0.00 C ATOM 0 HA PRO A 14 -8.305 -1.690 -5.222 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -10.565 -1.574 -6.835 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.425 -2.786 -5.577 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -11.898 -0.160 -5.519 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.414 -1.724 -4.921 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -11.430 0.188 -3.249 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.189 -1.518 -2.930 1.00 0.00 H new ATOM 178 N GLU A 15 -8.771 1.329 -5.623 1.00 0.00 N ATOM 179 CA GLU A 15 -8.410 2.511 -6.396 1.00 0.00 C ATOM 180 C GLU A 15 -7.082 3.090 -5.916 1.00 0.00 C ATOM 181 O GLU A 15 -7.017 3.741 -4.873 1.00 0.00 O ATOM 182 CB GLU A 15 -9.508 3.571 -6.293 1.00 0.00 C ATOM 183 CG GLU A 15 -9.651 4.166 -4.902 1.00 0.00 C ATOM 184 CD GLU A 15 -11.066 4.624 -4.606 1.00 0.00 C ATOM 185 OE1 GLU A 15 -11.920 3.761 -4.315 1.00 0.00 O ATOM 186 OE2 GLU A 15 -11.319 5.846 -4.665 1.00 0.00 O ATOM 0 H GLU A 15 -9.011 1.518 -4.650 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.301 2.212 -7.439 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.296 4.372 -7.001 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.459 3.127 -6.589 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.351 3.425 -4.161 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.971 5.012 -4.801 1.00 0.00 H new ATOM 193 N VAL A 16 -6.025 2.849 -6.685 1.00 0.00 N ATOM 194 CA VAL A 16 -4.699 3.346 -6.339 1.00 0.00 C ATOM 195 C VAL A 16 -4.527 4.799 -6.769 1.00 0.00 C ATOM 196 O VAL A 16 -5.002 5.204 -7.830 1.00 0.00 O ATOM 197 CB VAL A 16 -3.593 2.495 -6.992 1.00 0.00 C ATOM 198 CG1 VAL A 16 -3.744 2.492 -8.505 1.00 0.00 C ATOM 199 CG2 VAL A 16 -2.219 3.007 -6.586 1.00 0.00 C ATOM 0 H VAL A 16 -6.061 2.313 -7.552 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.608 3.278 -5.255 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.692 1.468 -6.640 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.954 1.886 -8.948 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.715 2.075 -8.773 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.672 3.513 -8.880 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.449 2.395 -7.056 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.107 4.042 -6.908 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.116 2.951 -5.502 1.00 0.00 H new ATOM 209 N LYS A 17 -3.846 5.579 -5.938 1.00 0.00 N ATOM 210 CA LYS A 17 -3.609 6.988 -6.231 1.00 0.00 C ATOM 211 C LYS A 17 -2.116 7.272 -6.365 1.00 0.00 C ATOM 212 O LYS A 17 -1.315 6.834 -5.539 1.00 0.00 O ATOM 213 CB LYS A 17 -4.209 7.867 -5.131 1.00 0.00 C ATOM 214 CG LYS A 17 -3.837 7.424 -3.727 1.00 0.00 C ATOM 215 CD LYS A 17 -3.957 8.566 -2.732 1.00 0.00 C ATOM 216 CE LYS A 17 -3.481 8.151 -1.348 1.00 0.00 C ATOM 217 NZ LYS A 17 -2.020 8.379 -1.172 1.00 0.00 N ATOM 0 H LYS A 17 -3.448 5.260 -5.055 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.093 7.222 -7.179 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.878 8.895 -5.278 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.295 7.865 -5.228 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.485 6.603 -3.420 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.816 7.043 -3.723 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.371 9.416 -3.080 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.995 8.895 -2.678 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.030 8.712 -0.592 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.706 7.097 -1.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.627 7.648 -0.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.547 8.332 -2.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.863 9.317 -0.750 1.00 0.00 H new ATOM 231 N ILE A 18 -1.750 8.009 -7.408 1.00 0.00 N ATOM 232 CA ILE A 18 -0.354 8.353 -7.648 1.00 0.00 C ATOM 233 C ILE A 18 0.022 9.649 -6.937 1.00 0.00 C ATOM 234 O ILE A 18 -0.697 10.645 -7.018 1.00 0.00 O ATOM 235 CB ILE A 18 -0.062 8.503 -9.153 1.00 0.00 C ATOM 236 CG1 ILE A 18 -0.386 7.201 -9.889 1.00 0.00 C ATOM 237 CG2 ILE A 18 1.392 8.895 -9.373 1.00 0.00 C ATOM 238 CD1 ILE A 18 0.515 6.049 -9.505 1.00 0.00 C ATOM 0 H ILE A 18 -2.401 8.379 -8.101 1.00 0.00 H new ATOM 0 HA ILE A 18 0.246 7.535 -7.250 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.696 9.293 -9.555 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.421 6.926 -9.685 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.307 7.371 -10.963 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.584 8.997 -10.441 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.592 9.844 -8.876 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.043 8.125 -8.960 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.227 5.160 -10.066 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.550 6.304 -9.735 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.419 5.852 -8.437 1.00 0.00 H new ATOM 250 N VAL A 19 1.155 9.629 -6.242 1.00 0.00 N ATOM 251 CA VAL A 19 1.629 10.803 -5.519 1.00 0.00 C ATOM 252 C VAL A 19 2.983 11.264 -6.048 1.00 0.00 C ATOM 253 O VAL A 19 3.924 10.477 -6.141 1.00 0.00 O ATOM 254 CB VAL A 19 1.748 10.522 -4.010 1.00 0.00 C ATOM 255 CG1 VAL A 19 2.272 11.748 -3.278 1.00 0.00 C ATOM 256 CG2 VAL A 19 0.406 10.085 -3.442 1.00 0.00 C ATOM 0 H VAL A 19 1.762 8.813 -6.164 1.00 0.00 H new ATOM 0 HA VAL A 19 0.893 11.591 -5.677 1.00 0.00 H new ATOM 0 HB VAL A 19 2.460 9.710 -3.865 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.349 11.530 -2.213 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.256 12.011 -3.667 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.587 12.582 -3.429 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.509 9.891 -2.374 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.329 10.874 -3.598 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.076 9.177 -3.946 1.00 0.00 H new ATOM 266 N GLU A 20 3.073 12.545 -6.391 1.00 0.00 N ATOM 267 CA GLU A 20 4.312 13.110 -6.911 1.00 0.00 C ATOM 268 C GLU A 20 5.248 13.508 -5.773 1.00 0.00 C ATOM 269 O GLU A 20 5.025 14.508 -5.091 1.00 0.00 O ATOM 270 CB GLU A 20 4.015 14.327 -7.790 1.00 0.00 C ATOM 271 CG GLU A 20 3.761 13.979 -9.247 1.00 0.00 C ATOM 272 CD GLU A 20 3.100 15.110 -10.010 1.00 0.00 C ATOM 273 OE1 GLU A 20 1.863 15.248 -9.915 1.00 0.00 O ATOM 274 OE2 GLU A 20 3.821 15.857 -10.704 1.00 0.00 O ATOM 0 H GLU A 20 2.303 13.210 -6.318 1.00 0.00 H new ATOM 0 HA GLU A 20 4.804 12.347 -7.514 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.144 14.848 -7.393 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.854 15.020 -7.732 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.707 13.726 -9.726 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.130 13.092 -9.300 1.00 0.00 H new ATOM 281 N LEU A 21 6.296 12.716 -5.574 1.00 0.00 N ATOM 282 CA LEU A 21 7.267 12.984 -4.518 1.00 0.00 C ATOM 283 C LEU A 21 8.616 13.383 -5.108 1.00 0.00 C ATOM 284 O LEU A 21 9.181 12.666 -5.934 1.00 0.00 O ATOM 285 CB LEU A 21 7.432 11.752 -3.626 1.00 0.00 C ATOM 286 CG LEU A 21 6.346 11.537 -2.572 1.00 0.00 C ATOM 287 CD1 LEU A 21 6.835 10.589 -1.487 1.00 0.00 C ATOM 288 CD2 LEU A 21 5.918 12.867 -1.968 1.00 0.00 C ATOM 0 H LEU A 21 6.495 11.884 -6.129 1.00 0.00 H new ATOM 0 HA LEU A 21 6.894 13.813 -3.917 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.471 10.869 -4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.394 11.822 -3.119 1.00 0.00 H new ATOM 0 HG LEU A 21 5.480 11.086 -3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.049 10.448 -0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.091 9.627 -1.932 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.717 11.012 -1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.144 12.695 -1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.777 13.346 -1.498 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.526 13.514 -2.753 1.00 0.00 H new ATOM 300 N VAL A 22 9.129 14.531 -4.675 1.00 0.00 N ATOM 301 CA VAL A 22 10.413 15.024 -5.157 1.00 0.00 C ATOM 302 C VAL A 22 11.549 14.588 -4.239 1.00 0.00 C ATOM 303 O VAL A 22 11.772 15.181 -3.183 1.00 0.00 O ATOM 304 CB VAL A 22 10.419 16.560 -5.269 1.00 0.00 C ATOM 305 CG1 VAL A 22 11.775 17.056 -5.747 1.00 0.00 C ATOM 306 CG2 VAL A 22 9.311 17.030 -6.199 1.00 0.00 C ATOM 0 H VAL A 22 8.674 15.136 -3.991 1.00 0.00 H new ATOM 0 HA VAL A 22 10.565 14.595 -6.147 1.00 0.00 H new ATOM 0 HB VAL A 22 10.234 16.980 -4.280 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.760 18.143 -5.820 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.545 16.751 -5.038 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.994 16.630 -6.726 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.330 18.118 -6.267 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.462 16.602 -7.190 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.346 16.707 -5.808 1.00 0.00 H new ATOM 316 N LYS A 23 12.267 13.547 -4.648 1.00 0.00 N ATOM 317 CA LYS A 23 13.382 13.030 -3.863 1.00 0.00 C ATOM 318 C LYS A 23 14.484 14.077 -3.729 1.00 0.00 C ATOM 319 O LYS A 23 14.576 15.002 -4.537 1.00 0.00 O ATOM 320 CB LYS A 23 13.944 11.763 -4.511 1.00 0.00 C ATOM 321 CG LYS A 23 15.234 11.276 -3.875 1.00 0.00 C ATOM 322 CD LYS A 23 15.587 9.871 -4.334 1.00 0.00 C ATOM 323 CE LYS A 23 17.091 9.648 -4.341 1.00 0.00 C ATOM 324 NZ LYS A 23 17.439 8.209 -4.182 1.00 0.00 N ATOM 0 H LYS A 23 12.096 13.045 -5.519 1.00 0.00 H new ATOM 0 HA LYS A 23 13.012 12.788 -2.867 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.197 10.972 -4.450 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.120 11.954 -5.570 1.00 0.00 H new ATOM 0 HG2 LYS A 23 16.046 11.957 -4.129 1.00 0.00 H new ATOM 0 HG3 LYS A 23 15.134 11.291 -2.790 1.00 0.00 H new ATOM 0 HD2 LYS A 23 15.113 9.142 -3.676 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.189 9.703 -5.335 1.00 0.00 H new ATOM 0 HE2 LYS A 23 17.509 10.022 -5.276 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.547 10.223 -3.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.457 8.117 -3.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.898 7.806 -3.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 17.206 7.697 -5.056 1.00 0.00 H new ATOM 338 N ASP A 24 15.317 13.924 -2.706 1.00 0.00 N ATOM 339 CA ASP A 24 16.414 14.855 -2.468 1.00 0.00 C ATOM 340 C ASP A 24 17.683 14.109 -2.069 1.00 0.00 C ATOM 341 O ASP A 24 17.675 12.886 -1.919 1.00 0.00 O ATOM 342 CB ASP A 24 16.033 15.858 -1.378 1.00 0.00 C ATOM 343 CG ASP A 24 14.896 16.768 -1.801 1.00 0.00 C ATOM 344 OD1 ASP A 24 14.832 17.120 -2.997 1.00 0.00 O ATOM 345 OD2 ASP A 24 14.071 17.128 -0.935 1.00 0.00 O ATOM 0 H ASP A 24 15.254 13.164 -2.028 1.00 0.00 H new ATOM 0 HA ASP A 24 16.608 15.394 -3.395 1.00 0.00 H new ATOM 0 HB2 ASP A 24 15.746 15.318 -0.476 1.00 0.00 H new ATOM 0 HB3 ASP A 24 16.904 16.463 -1.124 1.00 0.00 H new ATOM 350 N CYS A 25 18.772 14.851 -1.900 1.00 0.00 N ATOM 351 CA CYS A 25 20.049 14.259 -1.519 1.00 0.00 C ATOM 352 C CYS A 25 19.847 13.124 -0.521 1.00 0.00 C ATOM 353 O CYS A 25 20.179 11.971 -0.799 1.00 0.00 O ATOM 354 CB CYS A 25 20.970 15.323 -0.920 1.00 0.00 C ATOM 355 SG CYS A 25 22.705 14.825 -0.817 1.00 0.00 S ATOM 0 H CYS A 25 18.796 15.864 -2.021 1.00 0.00 H new ATOM 0 HA CYS A 25 20.513 13.850 -2.417 1.00 0.00 H new ATOM 0 HB2 CYS A 25 20.899 16.230 -1.521 1.00 0.00 H new ATOM 0 HB3 CYS A 25 20.615 15.574 0.080 1.00 0.00 H new ATOM 0 HG CYS A 25 23.404 15.791 -0.300 1.00 0.00 H new ATOM 361 N LYS A 26 19.302 13.457 0.644 1.00 0.00 N ATOM 362 CA LYS A 26 19.056 12.467 1.685 1.00 0.00 C ATOM 363 C LYS A 26 18.231 11.303 1.145 1.00 0.00 C ATOM 364 O LYS A 26 18.522 10.141 1.426 1.00 0.00 O ATOM 365 CB LYS A 26 18.332 13.112 2.869 1.00 0.00 C ATOM 366 CG LYS A 26 16.983 13.708 2.506 1.00 0.00 C ATOM 367 CD LYS A 26 16.518 14.711 3.549 1.00 0.00 C ATOM 368 CE LYS A 26 15.796 14.026 4.699 1.00 0.00 C ATOM 369 NZ LYS A 26 15.857 14.830 5.951 1.00 0.00 N ATOM 0 H LYS A 26 19.022 14.406 0.891 1.00 0.00 H new ATOM 0 HA LYS A 26 20.019 12.082 2.021 1.00 0.00 H new ATOM 0 HB2 LYS A 26 18.191 12.364 3.649 1.00 0.00 H new ATOM 0 HB3 LYS A 26 18.964 13.894 3.288 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.050 14.197 1.534 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.245 12.911 2.412 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.376 15.262 3.934 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.854 15.440 3.084 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.754 13.859 4.425 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.241 13.046 4.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.353 14.329 6.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.850 14.968 6.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 15.410 15.755 5.791 1.00 0.00 H new ATOM 383 N GLY A 27 17.203 11.623 0.366 1.00 0.00 N ATOM 384 CA GLY A 27 16.353 10.593 -0.203 1.00 0.00 C ATOM 385 C GLY A 27 14.888 10.980 -0.196 1.00 0.00 C ATOM 386 O GLY A 27 14.533 12.102 -0.560 1.00 0.00 O ATOM 0 H GLY A 27 16.943 12.578 0.118 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.667 10.392 -1.227 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.484 9.668 0.358 1.00 0.00 H new ATOM 390 N LEU A 28 14.034 10.050 0.218 1.00 0.00 N ATOM 391 CA LEU A 28 12.598 10.299 0.269 1.00 0.00 C ATOM 392 C LEU A 28 12.198 10.909 1.609 1.00 0.00 C ATOM 393 O LEU A 28 11.927 12.106 1.701 1.00 0.00 O ATOM 394 CB LEU A 28 11.826 8.999 0.038 1.00 0.00 C ATOM 395 CG LEU A 28 11.590 8.609 -1.422 1.00 0.00 C ATOM 396 CD1 LEU A 28 11.172 9.822 -2.238 1.00 0.00 C ATOM 397 CD2 LEU A 28 12.839 7.971 -2.012 1.00 0.00 C ATOM 0 H LEU A 28 14.311 9.117 0.523 1.00 0.00 H new ATOM 0 HA LEU A 28 12.349 11.008 -0.521 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.365 8.188 0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.858 9.082 0.532 1.00 0.00 H new ATOM 0 HG LEU A 28 10.782 7.878 -1.457 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.009 9.525 -3.274 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.250 10.235 -1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.957 10.577 -2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.653 7.700 -3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.666 8.679 -1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 28 13.094 7.076 -1.444 1.00 0.00 H new ATOM 409 N GLY A 29 12.166 10.078 2.646 1.00 0.00 N ATOM 410 CA GLY A 29 11.801 10.555 3.967 1.00 0.00 C ATOM 411 C GLY A 29 10.779 9.662 4.644 1.00 0.00 C ATOM 412 O GLY A 29 10.266 9.992 5.713 1.00 0.00 O ATOM 0 H GLY A 29 12.386 9.083 2.595 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.695 10.615 4.588 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.400 11.565 3.887 1.00 0.00 H new ATOM 416 N PHE A 30 10.481 8.527 4.019 1.00 0.00 N ATOM 417 CA PHE A 30 9.512 7.585 4.566 1.00 0.00 C ATOM 418 C PHE A 30 10.091 6.174 4.611 1.00 0.00 C ATOM 419 O PHE A 30 11.056 5.865 3.912 1.00 0.00 O ATOM 420 CB PHE A 30 8.230 7.597 3.731 1.00 0.00 C ATOM 421 CG PHE A 30 8.463 7.324 2.272 1.00 0.00 C ATOM 422 CD1 PHE A 30 8.571 6.024 1.805 1.00 0.00 C ATOM 423 CD2 PHE A 30 8.573 8.368 1.368 1.00 0.00 C ATOM 424 CE1 PHE A 30 8.785 5.770 0.464 1.00 0.00 C ATOM 425 CE2 PHE A 30 8.786 8.120 0.025 1.00 0.00 C ATOM 426 CZ PHE A 30 8.893 6.820 -0.427 1.00 0.00 C ATOM 0 H PHE A 30 10.897 8.238 3.134 1.00 0.00 H new ATOM 0 HA PHE A 30 9.276 7.894 5.584 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.541 6.851 4.127 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.745 8.567 3.838 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.487 5.200 2.497 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.491 9.387 1.716 1.00 0.00 H new ATOM 0 HE1 PHE A 30 8.868 4.752 0.113 1.00 0.00 H new ATOM 0 HE2 PHE A 30 8.869 8.942 -0.670 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.061 6.624 -1.476 1.00 0.00 H new ATOM 436 N SER A 31 9.494 5.322 5.438 1.00 0.00 N ATOM 437 CA SER A 31 9.952 3.944 5.577 1.00 0.00 C ATOM 438 C SER A 31 8.907 2.968 5.045 1.00 0.00 C ATOM 439 O SER A 31 7.782 3.357 4.731 1.00 0.00 O ATOM 440 CB SER A 31 10.257 3.632 7.044 1.00 0.00 C ATOM 441 OG SER A 31 11.589 3.987 7.373 1.00 0.00 O ATOM 0 H SER A 31 8.692 5.561 6.022 1.00 0.00 H new ATOM 0 HA SER A 31 10.864 3.829 4.991 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.563 4.174 7.687 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.103 2.570 7.233 1.00 0.00 H new ATOM 0 HG SER A 31 11.759 3.780 8.316 1.00 0.00 H new ATOM 447 N ILE A 32 9.288 1.699 4.947 1.00 0.00 N ATOM 448 CA ILE A 32 8.385 0.666 4.454 1.00 0.00 C ATOM 449 C ILE A 32 8.665 -0.674 5.125 1.00 0.00 C ATOM 450 O ILE A 32 9.787 -0.944 5.556 1.00 0.00 O ATOM 451 CB ILE A 32 8.502 0.498 2.928 1.00 0.00 C ATOM 452 CG1 ILE A 32 9.958 0.662 2.485 1.00 0.00 C ATOM 453 CG2 ILE A 32 7.609 1.502 2.214 1.00 0.00 C ATOM 454 CD1 ILE A 32 10.268 -0.016 1.169 1.00 0.00 C ATOM 0 H ILE A 32 10.216 1.361 5.202 1.00 0.00 H new ATOM 0 HA ILE A 32 7.373 0.988 4.699 1.00 0.00 H new ATOM 0 HB ILE A 32 8.172 -0.506 2.662 1.00 0.00 H new ATOM 0 HG12 ILE A 32 10.186 1.724 2.400 1.00 0.00 H new ATOM 0 HG13 ILE A 32 10.612 0.256 3.257 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.703 1.370 1.136 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.572 1.342 2.510 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.911 2.514 2.484 1.00 0.00 H new ATOM 0 HD11 ILE A 32 11.317 0.141 0.917 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.072 -1.085 1.255 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.639 0.406 0.385 1.00 0.00 H new ATOM 466 N LEU A 33 7.638 -1.512 5.210 1.00 0.00 N ATOM 467 CA LEU A 33 7.772 -2.828 5.827 1.00 0.00 C ATOM 468 C LEU A 33 6.979 -3.876 5.053 1.00 0.00 C ATOM 469 O LEU A 33 6.237 -3.548 4.127 1.00 0.00 O ATOM 470 CB LEU A 33 7.296 -2.782 7.280 1.00 0.00 C ATOM 471 CG LEU A 33 5.800 -3.002 7.504 1.00 0.00 C ATOM 472 CD1 LEU A 33 5.491 -3.100 8.990 1.00 0.00 C ATOM 473 CD2 LEU A 33 4.994 -1.881 6.863 1.00 0.00 C ATOM 0 H LEU A 33 6.703 -1.304 4.860 1.00 0.00 H new ATOM 0 HA LEU A 33 8.825 -3.107 5.805 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.842 -3.538 7.844 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.567 -1.813 7.699 1.00 0.00 H new ATOM 0 HG LEU A 33 5.516 -3.943 7.032 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.421 -3.257 9.130 1.00 0.00 H new ATOM 0 HD12 LEU A 33 6.040 -3.937 9.421 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.790 -2.176 9.486 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.931 -2.054 7.032 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.281 -0.927 7.306 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.191 -1.858 5.791 1.00 0.00 H new ATOM 485 N ASP A 34 7.139 -5.136 5.441 1.00 0.00 N ATOM 486 CA ASP A 34 6.436 -6.233 4.786 1.00 0.00 C ATOM 487 C ASP A 34 5.201 -6.640 5.584 1.00 0.00 C ATOM 488 O ASP A 34 5.276 -6.863 6.792 1.00 0.00 O ATOM 489 CB ASP A 34 7.367 -7.434 4.614 1.00 0.00 C ATOM 490 CG ASP A 34 7.487 -8.259 5.881 1.00 0.00 C ATOM 491 OD1 ASP A 34 8.257 -7.859 6.778 1.00 0.00 O ATOM 492 OD2 ASP A 34 6.811 -9.305 5.974 1.00 0.00 O ATOM 0 H ASP A 34 7.749 -5.423 6.206 1.00 0.00 H new ATOM 0 HA ASP A 34 6.114 -5.890 3.803 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.996 -8.065 3.807 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.356 -7.084 4.316 1.00 0.00 H new ATOM 497 N TYR A 35 4.066 -6.735 4.900 1.00 0.00 N ATOM 498 CA TYR A 35 2.814 -7.112 5.546 1.00 0.00 C ATOM 499 C TYR A 35 2.313 -8.454 5.021 1.00 0.00 C ATOM 500 O TYR A 35 2.636 -8.854 3.903 1.00 0.00 O ATOM 501 CB TYR A 35 1.754 -6.033 5.318 1.00 0.00 C ATOM 502 CG TYR A 35 0.744 -5.931 6.439 1.00 0.00 C ATOM 503 CD1 TYR A 35 -0.366 -6.765 6.478 1.00 0.00 C ATOM 504 CD2 TYR A 35 0.899 -4.999 7.457 1.00 0.00 C ATOM 505 CE1 TYR A 35 -1.292 -6.675 7.500 1.00 0.00 C ATOM 506 CE2 TYR A 35 -0.020 -4.902 8.483 1.00 0.00 C ATOM 507 CZ TYR A 35 -1.114 -5.742 8.500 1.00 0.00 C ATOM 508 OH TYR A 35 -2.033 -5.648 9.520 1.00 0.00 O ATOM 0 H TYR A 35 3.987 -6.556 3.899 1.00 0.00 H new ATOM 0 HA TYR A 35 3.000 -7.208 6.616 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.249 -5.069 5.197 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.230 -6.242 4.385 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.508 -7.496 5.696 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.753 -4.338 7.446 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.150 -7.331 7.515 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.117 -4.173 9.268 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.760 -4.942 10.143 1.00 0.00 H new ATOM 518 N GLN A 36 1.521 -9.142 5.836 1.00 0.00 N ATOM 519 CA GLN A 36 0.975 -10.439 5.455 1.00 0.00 C ATOM 520 C GLN A 36 -0.544 -10.451 5.590 1.00 0.00 C ATOM 521 O GLN A 36 -1.080 -10.312 6.690 1.00 0.00 O ATOM 522 CB GLN A 36 1.584 -11.547 6.316 1.00 0.00 C ATOM 523 CG GLN A 36 2.835 -12.166 5.715 1.00 0.00 C ATOM 524 CD GLN A 36 3.134 -13.541 6.278 1.00 0.00 C ATOM 525 OE1 GLN A 36 4.243 -13.806 6.744 1.00 0.00 O ATOM 526 NE2 GLN A 36 2.144 -14.425 6.239 1.00 0.00 N ATOM 0 H GLN A 36 1.243 -8.823 6.764 1.00 0.00 H new ATOM 0 HA GLN A 36 1.231 -10.619 4.411 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.826 -11.141 7.298 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.839 -12.328 6.468 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.717 -12.238 4.634 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.685 -11.509 5.899 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.241 -14.162 5.844 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.286 -15.367 6.604 1.00 0.00 H new ATOM 535 N ASP A 37 -1.232 -10.617 4.466 1.00 0.00 N ATOM 536 CA ASP A 37 -2.690 -10.648 4.459 1.00 0.00 C ATOM 537 C ASP A 37 -3.219 -11.610 5.518 1.00 0.00 C ATOM 538 O ASP A 37 -2.679 -12.696 5.730 1.00 0.00 O ATOM 539 CB ASP A 37 -3.207 -11.056 3.078 1.00 0.00 C ATOM 540 CG ASP A 37 -4.658 -10.672 2.866 1.00 0.00 C ATOM 541 OD1 ASP A 37 -4.911 -9.541 2.402 1.00 0.00 O ATOM 542 OD2 ASP A 37 -5.541 -11.503 3.165 1.00 0.00 O ATOM 0 H ASP A 37 -0.803 -10.732 3.548 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.050 -9.646 4.692 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.594 -10.585 2.310 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.098 -12.134 2.956 1.00 0.00 H new ATOM 547 N PRO A 38 -4.299 -11.203 6.201 1.00 0.00 N ATOM 548 CA PRO A 38 -4.924 -12.014 7.251 1.00 0.00 C ATOM 549 C PRO A 38 -5.621 -13.249 6.691 1.00 0.00 C ATOM 550 O PRO A 38 -5.806 -14.243 7.395 1.00 0.00 O ATOM 551 CB PRO A 38 -5.945 -11.060 7.876 1.00 0.00 C ATOM 552 CG PRO A 38 -6.261 -10.083 6.796 1.00 0.00 C ATOM 553 CD PRO A 38 -4.994 -9.920 6.002 1.00 0.00 C ATOM 0 HA PRO A 38 -4.191 -12.399 7.960 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.838 -11.594 8.201 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.535 -10.561 8.754 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.073 -10.447 6.166 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.585 -9.130 7.214 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.201 -9.735 4.948 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.399 -9.081 6.362 1.00 0.00 H new ATOM 561 N LEU A 39 -6.007 -13.180 5.421 1.00 0.00 N ATOM 562 CA LEU A 39 -6.684 -14.294 4.766 1.00 0.00 C ATOM 563 C LEU A 39 -5.724 -15.059 3.862 1.00 0.00 C ATOM 564 O LEU A 39 -5.928 -16.241 3.582 1.00 0.00 O ATOM 565 CB LEU A 39 -7.874 -13.784 3.951 1.00 0.00 C ATOM 566 CG LEU A 39 -8.768 -12.754 4.641 1.00 0.00 C ATOM 567 CD1 LEU A 39 -9.765 -12.166 3.653 1.00 0.00 C ATOM 568 CD2 LEU A 39 -9.493 -13.382 5.822 1.00 0.00 C ATOM 0 H LEU A 39 -5.863 -12.365 4.825 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.045 -14.973 5.538 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.495 -13.346 3.028 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.489 -14.639 3.670 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.138 -11.947 5.015 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.393 -11.435 4.162 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.227 -11.679 2.840 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.390 -12.963 3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.125 -12.634 6.301 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.111 -14.208 5.472 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.763 -13.754 6.541 1.00 0.00 H new ATOM 580 N ASP A 40 -4.676 -14.379 3.410 1.00 0.00 N ATOM 581 CA ASP A 40 -3.681 -14.996 2.540 1.00 0.00 C ATOM 582 C ASP A 40 -2.274 -14.789 3.092 1.00 0.00 C ATOM 583 O ASP A 40 -1.626 -13.773 2.841 1.00 0.00 O ATOM 584 CB ASP A 40 -3.779 -14.418 1.128 1.00 0.00 C ATOM 585 CG ASP A 40 -3.294 -15.389 0.070 1.00 0.00 C ATOM 586 OD1 ASP A 40 -3.018 -16.556 0.417 1.00 0.00 O ATOM 587 OD2 ASP A 40 -3.192 -14.982 -1.106 1.00 0.00 O ATOM 0 H ASP A 40 -4.493 -13.400 3.632 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.882 -16.067 2.500 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.814 -14.147 0.921 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.192 -13.501 1.072 1.00 0.00 H new ATOM 592 N PRO A 41 -1.789 -15.774 3.862 1.00 0.00 N ATOM 593 CA PRO A 41 -0.454 -15.723 4.466 1.00 0.00 C ATOM 594 C PRO A 41 0.656 -15.855 3.429 1.00 0.00 C ATOM 595 O PRO A 41 1.763 -15.352 3.622 1.00 0.00 O ATOM 596 CB PRO A 41 -0.447 -16.926 5.413 1.00 0.00 C ATOM 597 CG PRO A 41 -1.444 -17.870 4.834 1.00 0.00 C ATOM 598 CD PRO A 41 -2.507 -17.014 4.203 1.00 0.00 C ATOM 0 HA PRO A 41 -0.267 -14.771 4.963 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.542 -17.380 5.469 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.721 -16.633 6.427 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.980 -18.523 4.095 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.868 -18.512 5.606 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.932 -17.488 3.318 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.331 -16.825 4.891 1.00 0.00 H new ATOM 606 N THR A 42 0.353 -16.535 2.327 1.00 0.00 N ATOM 607 CA THR A 42 1.326 -16.734 1.260 1.00 0.00 C ATOM 608 C THR A 42 1.483 -15.473 0.418 1.00 0.00 C ATOM 609 O THR A 42 2.283 -15.436 -0.517 1.00 0.00 O ATOM 610 CB THR A 42 0.921 -17.903 0.342 1.00 0.00 C ATOM 611 OG1 THR A 42 -0.387 -17.676 -0.193 1.00 0.00 O ATOM 612 CG2 THR A 42 0.942 -19.220 1.103 1.00 0.00 C ATOM 0 H THR A 42 -0.559 -16.957 2.150 1.00 0.00 H new ATOM 0 HA THR A 42 2.277 -16.969 1.738 1.00 0.00 H new ATOM 0 HB THR A 42 1.641 -17.961 -0.474 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.636 -18.423 -0.777 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.653 -20.031 0.435 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.947 -19.404 1.484 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.242 -19.170 1.937 1.00 0.00 H new ATOM 620 N ARG A 43 0.717 -14.441 0.757 1.00 0.00 N ATOM 621 CA ARG A 43 0.772 -13.178 0.031 1.00 0.00 C ATOM 622 C ARG A 43 1.272 -12.054 0.933 1.00 0.00 C ATOM 623 O ARG A 43 0.794 -11.886 2.056 1.00 0.00 O ATOM 624 CB ARG A 43 -0.609 -12.825 -0.525 1.00 0.00 C ATOM 625 CG ARG A 43 -0.876 -13.402 -1.905 1.00 0.00 C ATOM 626 CD ARG A 43 -1.983 -12.645 -2.622 1.00 0.00 C ATOM 627 NE ARG A 43 -2.235 -13.178 -3.958 1.00 0.00 N ATOM 628 CZ ARG A 43 -3.039 -12.596 -4.841 1.00 0.00 C ATOM 629 NH1 ARG A 43 -3.664 -11.469 -4.532 1.00 0.00 N ATOM 630 NH2 ARG A 43 -3.217 -13.143 -6.037 1.00 0.00 N ATOM 0 H ARG A 43 0.051 -14.455 1.530 1.00 0.00 H new ATOM 0 HA ARG A 43 1.471 -13.293 -0.797 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.372 -13.186 0.164 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.707 -11.740 -0.569 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.037 -13.363 -2.499 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.152 -14.452 -1.814 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.898 -12.697 -2.032 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.712 -11.592 -2.697 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.768 -14.044 -4.228 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.528 -11.046 -3.614 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.281 -11.025 -5.212 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.737 -14.010 -6.278 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.834 -12.696 -6.715 1.00 0.00 H new ATOM 644 N SER A 44 2.236 -11.287 0.435 1.00 0.00 N ATOM 645 CA SER A 44 2.804 -10.181 1.198 1.00 0.00 C ATOM 646 C SER A 44 2.673 -8.869 0.431 1.00 0.00 C ATOM 647 O SER A 44 2.570 -8.860 -0.796 1.00 0.00 O ATOM 648 CB SER A 44 4.275 -10.455 1.514 1.00 0.00 C ATOM 649 OG SER A 44 4.940 -11.024 0.399 1.00 0.00 O ATOM 0 H SER A 44 2.640 -11.411 -0.493 1.00 0.00 H new ATOM 0 HA SER A 44 2.249 -10.093 2.132 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.768 -9.526 1.800 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.347 -11.129 2.367 1.00 0.00 H new ATOM 0 HG SER A 44 5.879 -11.188 0.627 1.00 0.00 H new ATOM 655 N VAL A 45 2.677 -7.760 1.164 1.00 0.00 N ATOM 656 CA VAL A 45 2.560 -6.440 0.554 1.00 0.00 C ATOM 657 C VAL A 45 3.343 -5.398 1.345 1.00 0.00 C ATOM 658 O VAL A 45 3.537 -5.539 2.553 1.00 0.00 O ATOM 659 CB VAL A 45 1.089 -5.996 0.457 1.00 0.00 C ATOM 660 CG1 VAL A 45 0.276 -7.010 -0.333 1.00 0.00 C ATOM 661 CG2 VAL A 45 0.500 -5.793 1.845 1.00 0.00 C ATOM 0 H VAL A 45 2.760 -7.749 2.181 1.00 0.00 H new ATOM 0 HA VAL A 45 2.976 -6.517 -0.451 1.00 0.00 H new ATOM 0 HB VAL A 45 1.050 -5.044 -0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.761 -6.679 -0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.685 -7.100 -1.339 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.320 -7.979 0.164 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.540 -5.479 1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.551 -6.728 2.402 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.067 -5.026 2.372 1.00 0.00 H new ATOM 671 N ILE A 46 3.789 -4.353 0.657 1.00 0.00 N ATOM 672 CA ILE A 46 4.549 -3.286 1.296 1.00 0.00 C ATOM 673 C ILE A 46 3.628 -2.177 1.794 1.00 0.00 C ATOM 674 O ILE A 46 2.724 -1.739 1.082 1.00 0.00 O ATOM 675 CB ILE A 46 5.588 -2.681 0.333 1.00 0.00 C ATOM 676 CG1 ILE A 46 6.705 -3.688 0.056 1.00 0.00 C ATOM 677 CG2 ILE A 46 6.158 -1.394 0.911 1.00 0.00 C ATOM 678 CD1 ILE A 46 7.498 -4.066 1.287 1.00 0.00 C ATOM 0 H ILE A 46 3.637 -4.222 -0.343 1.00 0.00 H new ATOM 0 HA ILE A 46 5.068 -3.732 2.144 1.00 0.00 H new ATOM 0 HB ILE A 46 5.095 -2.446 -0.610 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.271 -4.589 -0.377 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.383 -3.271 -0.689 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.891 -0.978 0.220 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.353 -0.675 1.062 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.639 -1.606 1.866 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.272 -4.783 1.015 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.961 -3.174 1.709 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.833 -4.513 2.025 1.00 0.00 H new ATOM 690 N VAL A 47 3.864 -1.727 3.022 1.00 0.00 N ATOM 691 CA VAL A 47 3.058 -0.667 3.616 1.00 0.00 C ATOM 692 C VAL A 47 3.926 0.514 4.036 1.00 0.00 C ATOM 693 O VAL A 47 5.129 0.367 4.255 1.00 0.00 O ATOM 694 CB VAL A 47 2.276 -1.176 4.841 1.00 0.00 C ATOM 695 CG1 VAL A 47 0.951 -0.440 4.973 1.00 0.00 C ATOM 696 CG2 VAL A 47 2.054 -2.678 4.745 1.00 0.00 C ATOM 0 H VAL A 47 4.607 -2.080 3.625 1.00 0.00 H new ATOM 0 HA VAL A 47 2.351 -0.342 2.853 1.00 0.00 H new ATOM 0 HB VAL A 47 2.866 -0.976 5.735 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.413 -0.813 5.844 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.138 0.627 5.092 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.352 -0.606 4.078 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.500 -3.020 5.619 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.486 -2.905 3.843 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.017 -3.186 4.704 1.00 0.00 H new ATOM 706 N ILE A 48 3.309 1.686 4.146 1.00 0.00 N ATOM 707 CA ILE A 48 4.025 2.892 4.541 1.00 0.00 C ATOM 708 C ILE A 48 4.365 2.867 6.027 1.00 0.00 C ATOM 709 O ILE A 48 3.569 3.294 6.864 1.00 0.00 O ATOM 710 CB ILE A 48 3.205 4.159 4.235 1.00 0.00 C ATOM 711 CG1 ILE A 48 2.846 4.213 2.748 1.00 0.00 C ATOM 712 CG2 ILE A 48 3.980 5.403 4.643 1.00 0.00 C ATOM 713 CD1 ILE A 48 4.035 4.464 1.848 1.00 0.00 C ATOM 0 H ILE A 48 2.315 1.825 3.967 1.00 0.00 H new ATOM 0 HA ILE A 48 4.947 2.917 3.960 1.00 0.00 H new ATOM 0 HB ILE A 48 2.281 4.124 4.812 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.376 3.272 2.462 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.108 4.999 2.589 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.387 6.290 4.420 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.191 5.366 5.712 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.918 5.445 4.089 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.706 4.490 0.809 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.493 5.419 2.107 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.765 3.665 1.978 1.00 0.00 H new ATOM 725 N ARG A 49 5.554 2.367 6.349 1.00 0.00 N ATOM 726 CA ARG A 49 6.000 2.288 7.734 1.00 0.00 C ATOM 727 C ARG A 49 5.672 3.574 8.486 1.00 0.00 C ATOM 728 O ARG A 49 4.871 3.573 9.420 1.00 0.00 O ATOM 729 CB ARG A 49 7.505 2.019 7.793 1.00 0.00 C ATOM 730 CG ARG A 49 8.062 1.983 9.206 1.00 0.00 C ATOM 731 CD ARG A 49 7.778 0.652 9.884 1.00 0.00 C ATOM 732 NE ARG A 49 8.694 0.394 10.991 1.00 0.00 N ATOM 733 CZ ARG A 49 9.946 -0.019 10.828 1.00 0.00 C ATOM 734 NH1 ARG A 49 10.429 -0.219 9.610 1.00 0.00 N ATOM 735 NH2 ARG A 49 10.719 -0.231 11.886 1.00 0.00 N ATOM 0 H ARG A 49 6.225 2.011 5.669 1.00 0.00 H new ATOM 0 HA ARG A 49 5.471 1.464 8.213 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.715 1.067 7.304 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.026 2.790 7.226 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.138 2.156 9.178 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.624 2.791 9.791 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.752 0.645 10.253 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.859 -0.152 9.152 1.00 0.00 H new ATOM 0 HE ARG A 49 8.354 0.539 11.942 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.839 -0.056 8.794 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.391 -0.536 9.488 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.352 -0.077 12.825 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.680 -0.548 11.760 1.00 0.00 H new ATOM 749 N SER A 50 6.299 4.671 8.072 1.00 0.00 N ATOM 750 CA SER A 50 6.077 5.964 8.708 1.00 0.00 C ATOM 751 C SER A 50 6.700 7.088 7.886 1.00 0.00 C ATOM 752 O SER A 50 7.641 6.867 7.121 1.00 0.00 O ATOM 753 CB SER A 50 6.661 5.967 10.122 1.00 0.00 C ATOM 754 OG SER A 50 8.018 6.376 10.112 1.00 0.00 O ATOM 0 H SER A 50 6.964 4.690 7.299 1.00 0.00 H new ATOM 0 HA SER A 50 5.002 6.133 8.766 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.081 6.636 10.757 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.582 4.969 10.554 1.00 0.00 H new ATOM 0 HG SER A 50 8.368 6.371 11.027 1.00 0.00 H new ATOM 760 N LEU A 51 6.170 8.295 8.048 1.00 0.00 N ATOM 761 CA LEU A 51 6.673 9.456 7.322 1.00 0.00 C ATOM 762 C LEU A 51 7.569 10.310 8.213 1.00 0.00 C ATOM 763 O LEU A 51 7.100 10.941 9.160 1.00 0.00 O ATOM 764 CB LEU A 51 5.509 10.297 6.795 1.00 0.00 C ATOM 765 CG LEU A 51 4.258 9.523 6.376 1.00 0.00 C ATOM 766 CD1 LEU A 51 3.142 10.481 5.989 1.00 0.00 C ATOM 767 CD2 LEU A 51 4.575 8.578 5.226 1.00 0.00 C ATOM 0 H LEU A 51 5.392 8.496 8.676 1.00 0.00 H new ATOM 0 HA LEU A 51 7.265 9.098 6.480 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.227 11.014 7.566 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.861 10.871 5.938 1.00 0.00 H new ATOM 0 HG LEU A 51 3.921 8.929 7.225 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.260 9.912 5.694 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.896 11.116 6.840 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.469 11.102 5.155 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.673 8.036 4.941 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.938 9.152 4.373 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.341 7.869 5.539 1.00 0.00 H new ATOM 779 N VAL A 52 8.861 10.327 7.902 1.00 0.00 N ATOM 780 CA VAL A 52 9.823 11.106 8.672 1.00 0.00 C ATOM 781 C VAL A 52 9.350 12.545 8.849 1.00 0.00 C ATOM 782 O VAL A 52 8.629 13.079 8.007 1.00 0.00 O ATOM 783 CB VAL A 52 11.208 11.113 7.998 1.00 0.00 C ATOM 784 CG1 VAL A 52 12.187 11.958 8.798 1.00 0.00 C ATOM 785 CG2 VAL A 52 11.728 9.692 7.836 1.00 0.00 C ATOM 0 H VAL A 52 9.266 9.810 7.122 1.00 0.00 H new ATOM 0 HA VAL A 52 9.905 10.630 9.649 1.00 0.00 H new ATOM 0 HB VAL A 52 11.108 11.555 7.007 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.160 11.951 8.306 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.819 12.982 8.859 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.285 11.547 9.803 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.707 9.715 7.358 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.813 9.222 8.816 1.00 0.00 H new ATOM 0 HG23 VAL A 52 11.036 9.120 7.218 1.00 0.00 H new ATOM 795 N ALA A 53 9.760 13.166 9.949 1.00 0.00 N ATOM 796 CA ALA A 53 9.380 14.544 10.236 1.00 0.00 C ATOM 797 C ALA A 53 9.778 15.472 9.093 1.00 0.00 C ATOM 798 O ALA A 53 10.961 15.627 8.790 1.00 0.00 O ATOM 799 CB ALA A 53 10.014 15.006 11.539 1.00 0.00 C ATOM 0 H ALA A 53 10.356 12.737 10.657 1.00 0.00 H new ATOM 0 HA ALA A 53 8.296 14.582 10.340 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.722 16.037 11.741 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.676 14.367 12.355 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.099 14.946 11.457 1.00 0.00 H new ATOM 805 N ASP A 54 8.784 16.087 8.462 1.00 0.00 N ATOM 806 CA ASP A 54 9.030 17.000 7.353 1.00 0.00 C ATOM 807 C ASP A 54 9.686 16.271 6.184 1.00 0.00 C ATOM 808 O ASP A 54 10.433 16.866 5.409 1.00 0.00 O ATOM 809 CB ASP A 54 9.916 18.161 7.807 1.00 0.00 C ATOM 810 CG ASP A 54 9.134 19.235 8.537 1.00 0.00 C ATOM 811 OD1 ASP A 54 8.076 18.910 9.115 1.00 0.00 O ATOM 812 OD2 ASP A 54 9.580 20.401 8.530 1.00 0.00 O ATOM 0 H ASP A 54 7.799 15.969 8.700 1.00 0.00 H new ATOM 0 HA ASP A 54 8.070 17.394 7.020 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.702 17.781 8.460 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.407 18.600 6.939 1.00 0.00 H new ATOM 817 N GLY A 55 9.400 14.978 6.065 1.00 0.00 N ATOM 818 CA GLY A 55 9.971 14.188 4.989 1.00 0.00 C ATOM 819 C GLY A 55 9.219 14.358 3.684 1.00 0.00 C ATOM 820 O GLY A 55 8.024 14.652 3.681 1.00 0.00 O ATOM 0 H GLY A 55 8.783 14.464 6.694 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.013 14.475 4.845 1.00 0.00 H new ATOM 0 HA3 GLY A 55 9.967 13.136 5.273 1.00 0.00 H new ATOM 824 N VAL A 56 9.921 14.173 2.570 1.00 0.00 N ATOM 825 CA VAL A 56 9.313 14.308 1.252 1.00 0.00 C ATOM 826 C VAL A 56 7.901 13.733 1.237 1.00 0.00 C ATOM 827 O VAL A 56 7.016 14.251 0.556 1.00 0.00 O ATOM 828 CB VAL A 56 10.154 13.603 0.171 1.00 0.00 C ATOM 829 CG1 VAL A 56 9.495 13.743 -1.193 1.00 0.00 C ATOM 830 CG2 VAL A 56 11.568 14.162 0.149 1.00 0.00 C ATOM 0 H VAL A 56 10.911 13.929 2.555 1.00 0.00 H new ATOM 0 HA VAL A 56 9.271 15.374 1.031 1.00 0.00 H new ATOM 0 HB VAL A 56 10.211 12.542 0.413 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.103 13.239 -1.944 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.503 13.291 -1.166 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.406 14.799 -1.447 1.00 0.00 H new ATOM 0 HG21 VAL A 56 12.149 13.653 -0.620 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.534 15.229 -0.069 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.037 14.005 1.121 1.00 0.00 H new ATOM 840 N ALA A 57 7.697 12.659 1.993 1.00 0.00 N ATOM 841 CA ALA A 57 6.392 12.015 2.069 1.00 0.00 C ATOM 842 C ALA A 57 5.344 12.964 2.640 1.00 0.00 C ATOM 843 O ALA A 57 4.325 13.232 2.005 1.00 0.00 O ATOM 844 CB ALA A 57 6.476 10.750 2.910 1.00 0.00 C ATOM 0 H ALA A 57 8.419 12.217 2.561 1.00 0.00 H new ATOM 0 HA ALA A 57 6.088 11.746 1.058 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.494 10.279 2.958 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.188 10.059 2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.806 11.004 3.917 1.00 0.00 H new ATOM 850 N GLU A 58 5.601 13.468 3.843 1.00 0.00 N ATOM 851 CA GLU A 58 4.677 14.386 4.500 1.00 0.00 C ATOM 852 C GLU A 58 4.592 15.707 3.741 1.00 0.00 C ATOM 853 O GLU A 58 3.508 16.264 3.563 1.00 0.00 O ATOM 854 CB GLU A 58 5.117 14.642 5.943 1.00 0.00 C ATOM 855 CG GLU A 58 4.026 15.241 6.814 1.00 0.00 C ATOM 856 CD GLU A 58 4.580 15.976 8.019 1.00 0.00 C ATOM 857 OE1 GLU A 58 5.772 16.350 7.990 1.00 0.00 O ATOM 858 OE2 GLU A 58 3.822 16.179 8.990 1.00 0.00 O ATOM 0 H GLU A 58 6.441 13.256 4.382 1.00 0.00 H new ATOM 0 HA GLU A 58 3.689 13.925 4.505 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.448 13.702 6.385 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.976 15.313 5.939 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.427 15.929 6.218 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.359 14.448 7.152 1.00 0.00 H new ATOM 865 N ARG A 59 5.742 16.202 3.295 1.00 0.00 N ATOM 866 CA ARG A 59 5.798 17.458 2.557 1.00 0.00 C ATOM 867 C ARG A 59 4.730 17.497 1.469 1.00 0.00 C ATOM 868 O ARG A 59 3.872 18.380 1.458 1.00 0.00 O ATOM 869 CB ARG A 59 7.183 17.647 1.935 1.00 0.00 C ATOM 870 CG ARG A 59 8.297 17.787 2.959 1.00 0.00 C ATOM 871 CD ARG A 59 9.596 18.238 2.311 1.00 0.00 C ATOM 872 NE ARG A 59 9.697 19.693 2.242 1.00 0.00 N ATOM 873 CZ ARG A 59 10.051 20.455 3.271 1.00 0.00 C ATOM 874 NH1 ARG A 59 10.335 19.903 4.442 1.00 0.00 N ATOM 875 NH2 ARG A 59 10.120 21.773 3.129 1.00 0.00 N ATOM 0 H ARG A 59 6.647 15.752 3.432 1.00 0.00 H new ATOM 0 HA ARG A 59 5.608 18.271 3.257 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.400 16.797 1.288 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.170 18.534 1.302 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.002 18.506 3.723 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.452 16.833 3.462 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.440 17.843 2.877 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.663 17.822 1.306 1.00 0.00 H new ATOM 0 HE ARG A 59 9.484 20.149 1.355 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.282 18.891 4.555 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.607 20.491 5.230 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.901 22.201 2.229 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.392 22.358 3.919 1.00 0.00 H new ATOM 889 N SER A 60 4.789 16.535 0.554 1.00 0.00 N ATOM 890 CA SER A 60 3.829 16.461 -0.542 1.00 0.00 C ATOM 891 C SER A 60 2.398 16.466 -0.012 1.00 0.00 C ATOM 892 O SER A 60 1.539 17.187 -0.518 1.00 0.00 O ATOM 893 CB SER A 60 4.072 15.202 -1.377 1.00 0.00 C ATOM 894 OG SER A 60 3.626 14.044 -0.694 1.00 0.00 O ATOM 0 H SER A 60 5.492 15.796 0.550 1.00 0.00 H new ATOM 0 HA SER A 60 3.967 17.339 -1.173 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.552 15.288 -2.331 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.135 15.110 -1.601 1.00 0.00 H new ATOM 0 HG SER A 60 4.021 14.020 0.203 1.00 0.00 H new ATOM 900 N GLY A 61 2.150 15.654 1.012 1.00 0.00 N ATOM 901 CA GLY A 61 0.823 15.579 1.594 1.00 0.00 C ATOM 902 C GLY A 61 -0.069 14.585 0.877 1.00 0.00 C ATOM 903 O GLY A 61 -1.232 14.873 0.597 1.00 0.00 O ATOM 0 H GLY A 61 2.844 15.047 1.448 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.905 15.297 2.644 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.360 16.565 1.564 1.00 0.00 H new ATOM 907 N GLY A 62 0.477 13.410 0.579 1.00 0.00 N ATOM 908 CA GLY A 62 -0.291 12.388 -0.109 1.00 0.00 C ATOM 909 C GLY A 62 -0.127 11.019 0.520 1.00 0.00 C ATOM 910 O GLY A 62 -1.074 10.232 0.567 1.00 0.00 O ATOM 0 H GLY A 62 1.437 13.147 0.802 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.346 12.664 -0.102 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.020 12.345 -1.153 1.00 0.00 H new ATOM 914 N LEU A 63 1.076 10.731 1.003 1.00 0.00 N ATOM 915 CA LEU A 63 1.361 9.446 1.631 1.00 0.00 C ATOM 916 C LEU A 63 0.932 9.448 3.095 1.00 0.00 C ATOM 917 O LEU A 63 0.793 10.505 3.711 1.00 0.00 O ATOM 918 CB LEU A 63 2.853 9.125 1.526 1.00 0.00 C ATOM 919 CG LEU A 63 3.337 8.620 0.166 1.00 0.00 C ATOM 920 CD1 LEU A 63 3.258 9.728 -0.873 1.00 0.00 C ATOM 921 CD2 LEU A 63 4.758 8.085 0.271 1.00 0.00 C ATOM 0 H LEU A 63 1.870 11.370 0.972 1.00 0.00 H new ATOM 0 HA LEU A 63 0.792 8.679 1.106 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.416 10.023 1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.096 8.374 2.278 1.00 0.00 H new ATOM 0 HG LEU A 63 2.686 7.805 -0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.606 9.351 -1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.226 10.065 -0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.885 10.564 -0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.086 7.730 -0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.422 8.880 0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.785 7.261 0.984 1.00 0.00 H new ATOM 933 N LEU A 64 0.725 8.257 3.647 1.00 0.00 N ATOM 934 CA LEU A 64 0.314 8.121 5.040 1.00 0.00 C ATOM 935 C LEU A 64 0.756 6.776 5.609 1.00 0.00 C ATOM 936 O LEU A 64 0.834 5.771 4.902 1.00 0.00 O ATOM 937 CB LEU A 64 -1.205 8.264 5.160 1.00 0.00 C ATOM 938 CG LEU A 64 -1.777 9.644 4.833 1.00 0.00 C ATOM 939 CD1 LEU A 64 -3.285 9.568 4.656 1.00 0.00 C ATOM 940 CD2 LEU A 64 -1.415 10.643 5.922 1.00 0.00 C ATOM 0 H LEU A 64 0.835 7.372 3.151 1.00 0.00 H new ATOM 0 HA LEU A 64 0.794 8.913 5.614 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.672 7.533 4.499 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.495 8.004 6.178 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.339 9.985 3.895 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.675 10.559 4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.522 8.885 3.840 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.742 9.205 5.577 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.830 11.619 5.673 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.825 10.307 6.875 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.330 10.719 6.000 1.00 0.00 H new ATOM 952 N PRO A 65 1.050 6.755 6.917 1.00 0.00 N ATOM 953 CA PRO A 65 1.486 5.540 7.611 1.00 0.00 C ATOM 954 C PRO A 65 0.365 4.515 7.746 1.00 0.00 C ATOM 955 O PRO A 65 -0.616 4.744 8.453 1.00 0.00 O ATOM 956 CB PRO A 65 1.912 6.051 8.989 1.00 0.00 C ATOM 957 CG PRO A 65 1.131 7.305 9.186 1.00 0.00 C ATOM 958 CD PRO A 65 0.978 7.916 7.820 1.00 0.00 C ATOM 0 HA PRO A 65 2.279 5.024 7.069 1.00 0.00 H new ATOM 0 HB2 PRO A 65 1.691 5.321 9.768 1.00 0.00 H new ATOM 0 HB3 PRO A 65 2.984 6.242 9.026 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.158 7.093 9.630 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.649 7.985 9.862 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.030 8.445 7.720 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.768 8.637 7.611 1.00 0.00 H new ATOM 966 N GLY A 66 0.517 3.384 7.065 1.00 0.00 N ATOM 967 CA GLY A 66 -0.491 2.341 7.123 1.00 0.00 C ATOM 968 C GLY A 66 -1.011 1.961 5.751 1.00 0.00 C ATOM 969 O GLY A 66 -1.555 0.872 5.566 1.00 0.00 O ATOM 0 H GLY A 66 1.320 3.171 6.474 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.070 1.459 7.606 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.322 2.677 7.743 1.00 0.00 H new ATOM 973 N ASP A 67 -0.847 2.860 4.787 1.00 0.00 N ATOM 974 CA ASP A 67 -1.305 2.613 3.425 1.00 0.00 C ATOM 975 C ASP A 67 -0.377 1.637 2.708 1.00 0.00 C ATOM 976 O ASP A 67 0.833 1.633 2.937 1.00 0.00 O ATOM 977 CB ASP A 67 -1.384 3.926 2.645 1.00 0.00 C ATOM 978 CG ASP A 67 -2.273 4.950 3.324 1.00 0.00 C ATOM 979 OD1 ASP A 67 -2.207 5.064 4.566 1.00 0.00 O ATOM 980 OD2 ASP A 67 -3.035 5.637 2.613 1.00 0.00 O ATOM 0 H ASP A 67 -0.400 3.767 4.924 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.299 2.170 3.477 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.381 4.338 2.531 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.763 3.728 1.643 1.00 0.00 H new ATOM 985 N ARG A 68 -0.952 0.810 1.841 1.00 0.00 N ATOM 986 CA ARG A 68 -0.177 -0.172 1.092 1.00 0.00 C ATOM 987 C ARG A 68 0.391 0.442 -0.184 1.00 0.00 C ATOM 988 O ARG A 68 -0.346 0.998 -0.999 1.00 0.00 O ATOM 989 CB ARG A 68 -1.047 -1.382 0.746 1.00 0.00 C ATOM 990 CG ARG A 68 -0.360 -2.384 -0.168 1.00 0.00 C ATOM 991 CD ARG A 68 -0.641 -2.087 -1.632 1.00 0.00 C ATOM 992 NE ARG A 68 0.133 -2.946 -2.524 1.00 0.00 N ATOM 993 CZ ARG A 68 -0.233 -3.235 -3.767 1.00 0.00 C ATOM 994 NH1 ARG A 68 -1.357 -2.736 -4.264 1.00 0.00 N ATOM 995 NH2 ARG A 68 0.525 -4.024 -4.517 1.00 0.00 N ATOM 0 H ARG A 68 -1.952 0.800 1.640 1.00 0.00 H new ATOM 0 HA ARG A 68 0.654 -0.497 1.718 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.339 -1.885 1.668 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.963 -1.035 0.268 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.715 -2.362 0.009 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.702 -3.391 0.072 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.704 -2.222 -1.831 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.407 -1.043 -1.841 1.00 0.00 H new ATOM 0 HE ARG A 68 1.003 -3.346 -2.173 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.943 -2.129 -3.691 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.636 -2.960 -5.219 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.390 -4.410 -4.139 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.243 -4.245 -5.472 1.00 0.00 H new ATOM 1009 N LEU A 69 1.704 0.336 -0.351 1.00 0.00 N ATOM 1010 CA LEU A 69 2.372 0.881 -1.528 1.00 0.00 C ATOM 1011 C LEU A 69 2.260 -0.076 -2.710 1.00 0.00 C ATOM 1012 O LEU A 69 2.478 -1.280 -2.570 1.00 0.00 O ATOM 1013 CB LEU A 69 3.845 1.160 -1.220 1.00 0.00 C ATOM 1014 CG LEU A 69 4.732 1.486 -2.422 1.00 0.00 C ATOM 1015 CD1 LEU A 69 4.229 2.731 -3.135 1.00 0.00 C ATOM 1016 CD2 LEU A 69 6.178 1.667 -1.984 1.00 0.00 C ATOM 0 H LEU A 69 2.328 -0.122 0.313 1.00 0.00 H new ATOM 0 HA LEU A 69 1.880 1.816 -1.794 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.897 1.993 -0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.261 0.289 -0.713 1.00 0.00 H new ATOM 0 HG LEU A 69 4.687 0.650 -3.120 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.873 2.947 -3.988 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.210 2.564 -3.483 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.243 3.576 -2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.795 1.898 -2.852 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.241 2.485 -1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.535 0.748 -1.520 1.00 0.00 H new ATOM 1028 N VAL A 70 1.921 0.466 -3.875 1.00 0.00 N ATOM 1029 CA VAL A 70 1.784 -0.339 -5.082 1.00 0.00 C ATOM 1030 C VAL A 70 3.119 -0.479 -5.804 1.00 0.00 C ATOM 1031 O VAL A 70 3.608 -1.589 -6.017 1.00 0.00 O ATOM 1032 CB VAL A 70 0.751 0.271 -6.049 1.00 0.00 C ATOM 1033 CG1 VAL A 70 0.699 -0.524 -7.345 1.00 0.00 C ATOM 1034 CG2 VAL A 70 -0.621 0.330 -5.394 1.00 0.00 C ATOM 0 H VAL A 70 1.736 1.460 -4.008 1.00 0.00 H new ATOM 0 HA VAL A 70 1.439 -1.324 -4.768 1.00 0.00 H new ATOM 0 HB VAL A 70 1.058 1.289 -6.288 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.036 -0.079 -8.016 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.680 -0.510 -7.820 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.416 -1.554 -7.129 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.338 0.763 -6.091 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.939 -0.677 -5.125 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.569 0.946 -4.496 1.00 0.00 H new ATOM 1044 N SER A 71 3.705 0.654 -6.179 1.00 0.00 N ATOM 1045 CA SER A 71 4.983 0.658 -6.880 1.00 0.00 C ATOM 1046 C SER A 71 5.716 1.978 -6.666 1.00 0.00 C ATOM 1047 O SER A 71 5.184 2.905 -6.055 1.00 0.00 O ATOM 1048 CB SER A 71 4.769 0.417 -8.376 1.00 0.00 C ATOM 1049 OG SER A 71 3.662 1.159 -8.858 1.00 0.00 O ATOM 0 H SER A 71 3.315 1.581 -6.009 1.00 0.00 H new ATOM 0 HA SER A 71 5.595 -0.147 -6.473 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.667 0.699 -8.925 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.605 -0.645 -8.557 1.00 0.00 H new ATOM 0 HG SER A 71 3.547 0.990 -9.816 1.00 0.00 H new ATOM 1055 N VAL A 72 6.942 2.056 -7.174 1.00 0.00 N ATOM 1056 CA VAL A 72 7.750 3.263 -7.040 1.00 0.00 C ATOM 1057 C VAL A 72 8.562 3.524 -8.303 1.00 0.00 C ATOM 1058 O VAL A 72 9.523 2.813 -8.594 1.00 0.00 O ATOM 1059 CB VAL A 72 8.708 3.166 -5.838 1.00 0.00 C ATOM 1060 CG1 VAL A 72 9.657 4.355 -5.815 1.00 0.00 C ATOM 1061 CG2 VAL A 72 7.924 3.074 -4.538 1.00 0.00 C ATOM 0 H VAL A 72 7.398 1.298 -7.682 1.00 0.00 H new ATOM 0 HA VAL A 72 7.059 4.090 -6.879 1.00 0.00 H new ATOM 0 HB VAL A 72 9.303 2.258 -5.942 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.326 4.270 -4.959 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.243 4.371 -6.734 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.082 5.278 -5.736 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.617 3.006 -3.699 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.302 3.962 -4.424 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.290 2.188 -4.557 1.00 0.00 H new ATOM 1071 N ASN A 73 8.168 4.549 -9.052 1.00 0.00 N ATOM 1072 CA ASN A 73 8.859 4.905 -10.286 1.00 0.00 C ATOM 1073 C ASN A 73 8.758 3.779 -11.310 1.00 0.00 C ATOM 1074 O ASN A 73 9.766 3.329 -11.854 1.00 0.00 O ATOM 1075 CB ASN A 73 10.330 5.218 -9.999 1.00 0.00 C ATOM 1076 CG ASN A 73 10.548 6.669 -9.618 1.00 0.00 C ATOM 1077 OD1 ASN A 73 9.645 7.331 -9.105 1.00 0.00 O ATOM 1078 ND2 ASN A 73 11.752 7.171 -9.867 1.00 0.00 N ATOM 0 H ASN A 73 7.374 5.148 -8.826 1.00 0.00 H new ATOM 0 HA ASN A 73 8.379 5.792 -10.699 1.00 0.00 H new ATOM 0 HB2 ASN A 73 10.685 4.576 -9.193 1.00 0.00 H new ATOM 0 HB3 ASN A 73 10.927 4.983 -10.880 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.958 8.142 -9.632 1.00 0.00 H new ATOM 0 HD22 ASN A 73 12.470 6.586 -10.293 1.00 0.00 H new ATOM 1085 N GLU A 74 7.534 3.330 -11.568 1.00 0.00 N ATOM 1086 CA GLU A 74 7.301 2.256 -12.527 1.00 0.00 C ATOM 1087 C GLU A 74 7.984 0.968 -12.078 1.00 0.00 C ATOM 1088 O GLU A 74 8.721 0.344 -12.842 1.00 0.00 O ATOM 1089 CB GLU A 74 7.811 2.660 -13.912 1.00 0.00 C ATOM 1090 CG GLU A 74 6.942 3.700 -14.601 1.00 0.00 C ATOM 1091 CD GLU A 74 7.485 4.108 -15.956 1.00 0.00 C ATOM 1092 OE1 GLU A 74 8.394 4.964 -15.997 1.00 0.00 O ATOM 1093 OE2 GLU A 74 7.002 3.573 -16.976 1.00 0.00 O ATOM 0 H GLU A 74 6.689 3.693 -11.127 1.00 0.00 H new ATOM 0 HA GLU A 74 6.227 2.078 -12.580 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.824 3.050 -13.817 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.869 1.772 -14.542 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.934 3.303 -14.722 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.863 4.582 -13.965 1.00 0.00 H new ATOM 1100 N TYR A 75 7.735 0.576 -10.833 1.00 0.00 N ATOM 1101 CA TYR A 75 8.327 -0.636 -10.280 1.00 0.00 C ATOM 1102 C TYR A 75 7.286 -1.456 -9.524 1.00 0.00 C ATOM 1103 O TYR A 75 6.889 -1.102 -8.413 1.00 0.00 O ATOM 1104 CB TYR A 75 9.488 -0.282 -9.349 1.00 0.00 C ATOM 1105 CG TYR A 75 10.810 -0.120 -10.065 1.00 0.00 C ATOM 1106 CD1 TYR A 75 11.628 -1.217 -10.311 1.00 0.00 C ATOM 1107 CD2 TYR A 75 11.243 1.129 -10.493 1.00 0.00 C ATOM 1108 CE1 TYR A 75 12.837 -1.074 -10.964 1.00 0.00 C ATOM 1109 CE2 TYR A 75 12.449 1.281 -11.148 1.00 0.00 C ATOM 1110 CZ TYR A 75 13.243 0.177 -11.381 1.00 0.00 C ATOM 1111 OH TYR A 75 14.447 0.325 -12.032 1.00 0.00 O ATOM 0 H TYR A 75 7.127 1.080 -10.188 1.00 0.00 H new ATOM 0 HA TYR A 75 8.703 -1.236 -11.108 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.253 0.644 -8.824 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.587 -1.061 -8.593 1.00 0.00 H new ATOM 0 HD1 TYR A 75 11.313 -2.198 -9.986 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.626 1.996 -10.310 1.00 0.00 H new ATOM 0 HE1 TYR A 75 13.461 -1.936 -11.147 1.00 0.00 H new ATOM 0 HE2 TYR A 75 12.769 2.259 -11.476 1.00 0.00 H new ATOM 0 HH TYR A 75 14.582 1.269 -12.259 1.00 0.00 H new ATOM 1121 N CYS A 76 6.849 -2.552 -10.134 1.00 0.00 N ATOM 1122 CA CYS A 76 5.853 -3.423 -9.520 1.00 0.00 C ATOM 1123 C CYS A 76 6.360 -3.975 -8.191 1.00 0.00 C ATOM 1124 O CYS A 76 7.034 -5.005 -8.150 1.00 0.00 O ATOM 1125 CB CYS A 76 5.502 -4.574 -10.463 1.00 0.00 C ATOM 1126 SG CYS A 76 4.686 -4.055 -11.990 1.00 0.00 S ATOM 0 H CYS A 76 7.168 -2.859 -11.053 1.00 0.00 H new ATOM 0 HA CYS A 76 4.957 -2.833 -9.330 1.00 0.00 H new ATOM 0 HB2 CYS A 76 6.415 -5.113 -10.717 1.00 0.00 H new ATOM 0 HB3 CYS A 76 4.854 -5.275 -9.937 1.00 0.00 H new ATOM 0 HG CYS A 76 4.432 -5.099 -12.722 1.00 0.00 H new ATOM 1132 N LEU A 77 6.032 -3.282 -7.105 1.00 0.00 N ATOM 1133 CA LEU A 77 6.454 -3.701 -5.774 1.00 0.00 C ATOM 1134 C LEU A 77 5.433 -4.649 -5.152 1.00 0.00 C ATOM 1135 O LEU A 77 5.255 -4.672 -3.934 1.00 0.00 O ATOM 1136 CB LEU A 77 6.650 -2.481 -4.872 1.00 0.00 C ATOM 1137 CG LEU A 77 7.701 -1.469 -5.331 1.00 0.00 C ATOM 1138 CD1 LEU A 77 7.863 -0.363 -4.300 1.00 0.00 C ATOM 1139 CD2 LEU A 77 9.032 -2.161 -5.588 1.00 0.00 C ATOM 0 H LEU A 77 5.475 -2.428 -7.121 1.00 0.00 H new ATOM 0 HA LEU A 77 7.402 -4.230 -5.870 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.694 -1.965 -4.779 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.922 -2.830 -3.876 1.00 0.00 H new ATOM 0 HG LEU A 77 7.362 -1.020 -6.265 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.615 0.348 -4.644 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.912 0.152 -4.166 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.179 -0.794 -3.350 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.768 -1.426 -5.914 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.377 -2.638 -4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.906 -2.916 -6.364 1.00 0.00 H new ATOM 1151 N ASP A 78 4.768 -5.430 -5.995 1.00 0.00 N ATOM 1152 CA ASP A 78 3.768 -6.383 -5.528 1.00 0.00 C ATOM 1153 C ASP A 78 4.430 -7.652 -5.001 1.00 0.00 C ATOM 1154 O ASP A 78 5.391 -8.151 -5.585 1.00 0.00 O ATOM 1155 CB ASP A 78 2.797 -6.730 -6.658 1.00 0.00 C ATOM 1156 CG ASP A 78 1.418 -7.095 -6.145 1.00 0.00 C ATOM 1157 OD1 ASP A 78 1.063 -6.653 -5.032 1.00 0.00 O ATOM 1158 OD2 ASP A 78 0.694 -7.824 -6.855 1.00 0.00 O ATOM 0 H ASP A 78 4.903 -5.422 -7.006 1.00 0.00 H new ATOM 0 HA ASP A 78 3.213 -5.920 -4.712 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.716 -5.881 -7.337 1.00 0.00 H new ATOM 0 HB3 ASP A 78 3.199 -7.563 -7.235 1.00 0.00 H new ATOM 1163 N ASN A 79 3.909 -8.169 -3.893 1.00 0.00 N ATOM 1164 CA ASN A 79 4.451 -9.379 -3.286 1.00 0.00 C ATOM 1165 C ASN A 79 5.977 -9.358 -3.299 1.00 0.00 C ATOM 1166 O ASN A 79 6.620 -10.351 -3.639 1.00 0.00 O ATOM 1167 CB ASN A 79 3.941 -10.618 -4.025 1.00 0.00 C ATOM 1168 CG ASN A 79 2.427 -10.709 -4.024 1.00 0.00 C ATOM 1169 OD1 ASN A 79 1.795 -10.721 -2.968 1.00 0.00 O ATOM 1170 ND2 ASN A 79 1.838 -10.773 -5.212 1.00 0.00 N ATOM 0 H ASN A 79 3.112 -7.769 -3.397 1.00 0.00 H new ATOM 0 HA ASN A 79 4.114 -9.418 -2.250 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.300 -10.598 -5.054 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.356 -11.512 -3.560 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.822 -10.835 -5.275 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.402 -10.760 -6.062 1.00 0.00 H new ATOM 1177 N THR A 80 6.551 -8.218 -2.925 1.00 0.00 N ATOM 1178 CA THR A 80 8.000 -8.067 -2.894 1.00 0.00 C ATOM 1179 C THR A 80 8.528 -8.124 -1.465 1.00 0.00 C ATOM 1180 O THR A 80 7.857 -7.693 -0.527 1.00 0.00 O ATOM 1181 CB THR A 80 8.440 -6.739 -3.539 1.00 0.00 C ATOM 1182 OG1 THR A 80 8.029 -6.701 -4.910 1.00 0.00 O ATOM 1183 CG2 THR A 80 9.949 -6.569 -3.451 1.00 0.00 C ATOM 0 H THR A 80 6.034 -7.386 -2.640 1.00 0.00 H new ATOM 0 HA THR A 80 8.417 -8.896 -3.466 1.00 0.00 H new ATOM 0 HB THR A 80 7.966 -5.921 -2.996 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.194 -7.204 -5.015 1.00 0.00 H new ATOM 0 HG21 THR A 80 10.236 -5.624 -3.913 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.255 -6.569 -2.405 1.00 0.00 H new ATOM 0 HG23 THR A 80 10.439 -7.391 -3.972 1.00 0.00 H new ATOM 1191 N SER A 81 9.735 -8.658 -1.306 1.00 0.00 N ATOM 1192 CA SER A 81 10.352 -8.775 0.010 1.00 0.00 C ATOM 1193 C SER A 81 10.913 -7.432 0.468 1.00 0.00 C ATOM 1194 O SER A 81 11.548 -6.715 -0.307 1.00 0.00 O ATOM 1195 CB SER A 81 11.465 -9.823 -0.016 1.00 0.00 C ATOM 1196 OG SER A 81 12.554 -9.391 -0.813 1.00 0.00 O ATOM 0 H SER A 81 10.305 -9.016 -2.072 1.00 0.00 H new ATOM 0 HA SER A 81 9.584 -9.089 0.717 1.00 0.00 H new ATOM 0 HB2 SER A 81 11.809 -10.018 1.000 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.075 -10.763 -0.407 1.00 0.00 H new ATOM 0 HG SER A 81 13.253 -10.078 -0.812 1.00 0.00 H new ATOM 1202 N LEU A 82 10.674 -7.097 1.731 1.00 0.00 N ATOM 1203 CA LEU A 82 11.154 -5.840 2.294 1.00 0.00 C ATOM 1204 C LEU A 82 12.525 -5.480 1.730 1.00 0.00 C ATOM 1205 O LEU A 82 12.748 -4.356 1.283 1.00 0.00 O ATOM 1206 CB LEU A 82 11.226 -5.936 3.819 1.00 0.00 C ATOM 1207 CG LEU A 82 12.065 -4.867 4.520 1.00 0.00 C ATOM 1208 CD1 LEU A 82 11.502 -3.481 4.244 1.00 0.00 C ATOM 1209 CD2 LEU A 82 12.124 -5.132 6.017 1.00 0.00 C ATOM 0 H LEU A 82 10.150 -7.679 2.385 1.00 0.00 H new ATOM 0 HA LEU A 82 10.450 -5.054 2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.211 -5.890 4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.627 -6.915 4.083 1.00 0.00 H new ATOM 0 HG LEU A 82 13.079 -4.911 4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 82 12.112 -2.733 4.751 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.512 -3.291 3.171 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.478 -3.424 4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.725 -4.361 6.499 1.00 0.00 H new ATOM 0 HD22 LEU A 82 11.115 -5.116 6.429 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.574 -6.108 6.196 1.00 0.00 H new ATOM 1221 N ALA A 83 13.440 -6.444 1.753 1.00 0.00 N ATOM 1222 CA ALA A 83 14.788 -6.230 1.241 1.00 0.00 C ATOM 1223 C ALA A 83 14.754 -5.709 -0.192 1.00 0.00 C ATOM 1224 O ALA A 83 15.500 -4.798 -0.548 1.00 0.00 O ATOM 1225 CB ALA A 83 15.592 -7.519 1.317 1.00 0.00 C ATOM 0 H ALA A 83 13.272 -7.380 2.121 1.00 0.00 H new ATOM 0 HA ALA A 83 15.271 -5.476 1.863 1.00 0.00 H new ATOM 0 HB1 ALA A 83 16.596 -7.345 0.931 1.00 0.00 H new ATOM 0 HB2 ALA A 83 15.654 -7.849 2.354 1.00 0.00 H new ATOM 0 HB3 ALA A 83 15.103 -8.289 0.720 1.00 0.00 H new ATOM 1231 N GLU A 84 13.885 -6.295 -1.010 1.00 0.00 N ATOM 1232 CA GLU A 84 13.756 -5.890 -2.404 1.00 0.00 C ATOM 1233 C GLU A 84 13.120 -4.507 -2.513 1.00 0.00 C ATOM 1234 O GLU A 84 13.571 -3.663 -3.287 1.00 0.00 O ATOM 1235 CB GLU A 84 12.920 -6.910 -3.180 1.00 0.00 C ATOM 1236 CG GLU A 84 13.744 -8.026 -3.801 1.00 0.00 C ATOM 1237 CD GLU A 84 13.039 -8.691 -4.967 1.00 0.00 C ATOM 1238 OE1 GLU A 84 12.405 -7.971 -5.766 1.00 0.00 O ATOM 1239 OE2 GLU A 84 13.122 -9.932 -5.080 1.00 0.00 O ATOM 0 H GLU A 84 13.260 -7.051 -0.731 1.00 0.00 H new ATOM 0 HA GLU A 84 14.756 -5.846 -2.836 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.180 -7.346 -2.509 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.371 -6.394 -3.968 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.698 -7.623 -4.140 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.967 -8.775 -3.041 1.00 0.00 H new ATOM 1246 N ALA A 85 12.069 -4.282 -1.731 1.00 0.00 N ATOM 1247 CA ALA A 85 11.372 -3.002 -1.737 1.00 0.00 C ATOM 1248 C ALA A 85 12.316 -1.861 -1.379 1.00 0.00 C ATOM 1249 O ALA A 85 12.389 -0.856 -2.086 1.00 0.00 O ATOM 1250 CB ALA A 85 10.194 -3.038 -0.774 1.00 0.00 C ATOM 0 H ALA A 85 11.682 -4.970 -1.085 1.00 0.00 H new ATOM 0 HA ALA A 85 10.998 -2.825 -2.745 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.683 -2.076 -0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.500 -3.822 -1.077 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.554 -3.242 0.234 1.00 0.00 H new ATOM 1256 N VAL A 86 13.039 -2.021 -0.274 1.00 0.00 N ATOM 1257 CA VAL A 86 13.980 -1.003 0.178 1.00 0.00 C ATOM 1258 C VAL A 86 15.035 -0.719 -0.885 1.00 0.00 C ATOM 1259 O VAL A 86 15.359 0.436 -1.158 1.00 0.00 O ATOM 1260 CB VAL A 86 14.681 -1.428 1.482 1.00 0.00 C ATOM 1261 CG1 VAL A 86 15.678 -0.366 1.923 1.00 0.00 C ATOM 1262 CG2 VAL A 86 13.657 -1.696 2.575 1.00 0.00 C ATOM 0 H VAL A 86 12.991 -2.846 0.324 1.00 0.00 H new ATOM 0 HA VAL A 86 13.403 -0.097 0.363 1.00 0.00 H new ATOM 0 HB VAL A 86 15.229 -2.352 1.295 1.00 0.00 H new ATOM 0 HG11 VAL A 86 16.163 -0.684 2.846 1.00 0.00 H new ATOM 0 HG12 VAL A 86 16.430 -0.228 1.146 1.00 0.00 H new ATOM 0 HG13 VAL A 86 15.155 0.575 2.093 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.170 -1.995 3.489 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.080 -0.791 2.763 1.00 0.00 H new ATOM 0 HG23 VAL A 86 12.986 -2.495 2.257 1.00 0.00 H new ATOM 1272 N GLU A 87 15.567 -1.781 -1.481 1.00 0.00 N ATOM 1273 CA GLU A 87 16.587 -1.645 -2.515 1.00 0.00 C ATOM 1274 C GLU A 87 16.050 -0.863 -3.710 1.00 0.00 C ATOM 1275 O GLU A 87 16.763 -0.060 -4.311 1.00 0.00 O ATOM 1276 CB GLU A 87 17.072 -3.023 -2.969 1.00 0.00 C ATOM 1277 CG GLU A 87 17.902 -3.751 -1.926 1.00 0.00 C ATOM 1278 CD GLU A 87 19.368 -3.367 -1.974 1.00 0.00 C ATOM 1279 OE1 GLU A 87 19.661 -2.163 -2.134 1.00 0.00 O ATOM 1280 OE2 GLU A 87 20.222 -4.270 -1.853 1.00 0.00 O ATOM 0 H GLU A 87 15.309 -2.744 -1.266 1.00 0.00 H new ATOM 0 HA GLU A 87 17.427 -1.094 -2.091 1.00 0.00 H new ATOM 0 HB2 GLU A 87 16.208 -3.636 -3.226 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.664 -2.909 -3.877 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.505 -3.532 -0.934 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.807 -4.826 -2.077 1.00 0.00 H new ATOM 1287 N ILE A 88 14.787 -1.105 -4.048 1.00 0.00 N ATOM 1288 CA ILE A 88 14.154 -0.424 -5.170 1.00 0.00 C ATOM 1289 C ILE A 88 14.004 1.068 -4.894 1.00 0.00 C ATOM 1290 O ILE A 88 14.243 1.901 -5.770 1.00 0.00 O ATOM 1291 CB ILE A 88 12.768 -1.019 -5.481 1.00 0.00 C ATOM 1292 CG1 ILE A 88 12.914 -2.405 -6.113 1.00 0.00 C ATOM 1293 CG2 ILE A 88 11.987 -0.091 -6.399 1.00 0.00 C ATOM 1294 CD1 ILE A 88 11.759 -3.333 -5.807 1.00 0.00 C ATOM 0 H ILE A 88 14.183 -1.767 -3.561 1.00 0.00 H new ATOM 0 HA ILE A 88 14.804 -0.568 -6.033 1.00 0.00 H new ATOM 0 HB ILE A 88 12.215 -1.123 -4.547 1.00 0.00 H new ATOM 0 HG12 ILE A 88 13.005 -2.295 -7.194 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.839 -2.861 -5.760 1.00 0.00 H new ATOM 0 HG21 ILE A 88 11.010 -0.525 -6.610 1.00 0.00 H new ATOM 0 HG22 ILE A 88 11.857 0.876 -5.914 1.00 0.00 H new ATOM 0 HG23 ILE A 88 12.534 0.042 -7.333 1.00 0.00 H new ATOM 0 HD11 ILE A 88 11.930 -4.297 -6.287 1.00 0.00 H new ATOM 0 HD12 ILE A 88 11.681 -3.473 -4.729 1.00 0.00 H new ATOM 0 HD13 ILE A 88 10.833 -2.899 -6.185 1.00 0.00 H new ATOM 1306 N LEU A 89 13.608 1.401 -3.670 1.00 0.00 N ATOM 1307 CA LEU A 89 13.427 2.794 -3.276 1.00 0.00 C ATOM 1308 C LEU A 89 14.772 3.503 -3.150 1.00 0.00 C ATOM 1309 O LEU A 89 14.860 4.721 -3.301 1.00 0.00 O ATOM 1310 CB LEU A 89 12.669 2.875 -1.950 1.00 0.00 C ATOM 1311 CG LEU A 89 11.144 2.930 -2.051 1.00 0.00 C ATOM 1312 CD1 LEU A 89 10.512 2.755 -0.679 1.00 0.00 C ATOM 1313 CD2 LEU A 89 10.699 4.241 -2.683 1.00 0.00 C ATOM 0 H LEU A 89 13.406 0.725 -2.933 1.00 0.00 H new ATOM 0 HA LEU A 89 12.845 3.293 -4.051 1.00 0.00 H new ATOM 0 HB2 LEU A 89 12.942 2.010 -1.345 1.00 0.00 H new ATOM 0 HB3 LEU A 89 13.010 3.760 -1.413 1.00 0.00 H new ATOM 0 HG LEU A 89 10.811 2.111 -2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.427 2.797 -0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 89 10.804 1.790 -0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 89 10.851 3.552 -0.018 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.611 4.263 -2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 89 11.044 5.075 -2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.123 4.325 -3.684 1.00 0.00 H new ATOM 1325 N LYS A 90 15.818 2.731 -2.875 1.00 0.00 N ATOM 1326 CA LYS A 90 17.160 3.283 -2.732 1.00 0.00 C ATOM 1327 C LYS A 90 17.851 3.392 -4.088 1.00 0.00 C ATOM 1328 O LYS A 90 18.592 4.341 -4.343 1.00 0.00 O ATOM 1329 CB LYS A 90 17.995 2.412 -1.791 1.00 0.00 C ATOM 1330 CG LYS A 90 17.738 2.687 -0.319 1.00 0.00 C ATOM 1331 CD LYS A 90 18.108 1.493 0.544 1.00 0.00 C ATOM 1332 CE LYS A 90 19.577 1.523 0.937 1.00 0.00 C ATOM 1333 NZ LYS A 90 20.455 1.036 -0.163 1.00 0.00 N ATOM 0 H LYS A 90 15.762 1.721 -2.747 1.00 0.00 H new ATOM 0 HA LYS A 90 17.071 4.283 -2.308 1.00 0.00 H new ATOM 0 HB2 LYS A 90 17.784 1.363 -1.998 1.00 0.00 H new ATOM 0 HB3 LYS A 90 19.052 2.573 -2.003 1.00 0.00 H new ATOM 0 HG2 LYS A 90 18.314 3.557 -0.004 1.00 0.00 H new ATOM 0 HG3 LYS A 90 16.686 2.931 -0.172 1.00 0.00 H new ATOM 0 HD2 LYS A 90 17.490 1.486 1.442 1.00 0.00 H new ATOM 0 HD3 LYS A 90 17.894 0.571 0.003 1.00 0.00 H new ATOM 0 HE2 LYS A 90 19.861 2.541 1.205 1.00 0.00 H new ATOM 0 HE3 LYS A 90 19.729 0.906 1.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 21.329 0.640 0.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 19.958 0.299 -0.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 20.692 1.828 -0.794 1.00 0.00 H new ATOM 1347 N ALA A 91 17.602 2.415 -4.954 1.00 0.00 N ATOM 1348 CA ALA A 91 18.197 2.403 -6.284 1.00 0.00 C ATOM 1349 C ALA A 91 17.518 3.418 -7.198 1.00 0.00 C ATOM 1350 O ALA A 91 18.056 3.786 -8.242 1.00 0.00 O ATOM 1351 CB ALA A 91 18.114 1.009 -6.887 1.00 0.00 C ATOM 0 H ALA A 91 16.992 1.621 -4.758 1.00 0.00 H new ATOM 0 HA ALA A 91 19.246 2.683 -6.188 1.00 0.00 H new ATOM 0 HB1 ALA A 91 18.562 1.015 -7.881 1.00 0.00 H new ATOM 0 HB2 ALA A 91 18.651 0.305 -6.251 1.00 0.00 H new ATOM 0 HB3 ALA A 91 17.069 0.707 -6.962 1.00 0.00 H new ATOM 1357 N VAL A 92 16.332 3.867 -6.799 1.00 0.00 N ATOM 1358 CA VAL A 92 15.580 4.839 -7.582 1.00 0.00 C ATOM 1359 C VAL A 92 16.306 6.178 -7.640 1.00 0.00 C ATOM 1360 O VAL A 92 16.823 6.676 -6.640 1.00 0.00 O ATOM 1361 CB VAL A 92 14.170 5.057 -7.002 1.00 0.00 C ATOM 1362 CG1 VAL A 92 14.238 5.895 -5.734 1.00 0.00 C ATOM 1363 CG2 VAL A 92 13.264 5.712 -8.034 1.00 0.00 C ATOM 0 H VAL A 92 15.872 3.573 -5.938 1.00 0.00 H new ATOM 0 HA VAL A 92 15.492 4.433 -8.590 1.00 0.00 H new ATOM 0 HB VAL A 92 13.748 4.085 -6.746 1.00 0.00 H new ATOM 0 HG11 VAL A 92 13.233 6.039 -5.338 1.00 0.00 H new ATOM 0 HG12 VAL A 92 14.850 5.383 -4.992 1.00 0.00 H new ATOM 0 HG13 VAL A 92 14.680 6.865 -5.962 1.00 0.00 H new ATOM 0 HG21 VAL A 92 12.272 5.858 -7.607 1.00 0.00 H new ATOM 0 HG22 VAL A 92 13.680 6.677 -8.323 1.00 0.00 H new ATOM 0 HG23 VAL A 92 13.190 5.071 -8.912 1.00 0.00 H new ATOM 1373 N PRO A 93 16.347 6.778 -8.840 1.00 0.00 N ATOM 1374 CA PRO A 93 17.007 8.068 -9.057 1.00 0.00 C ATOM 1375 C PRO A 93 16.258 9.221 -8.398 1.00 0.00 C ATOM 1376 O PRO A 93 15.062 9.136 -8.117 1.00 0.00 O ATOM 1377 CB PRO A 93 16.992 8.222 -10.580 1.00 0.00 C ATOM 1378 CG PRO A 93 15.837 7.398 -11.033 1.00 0.00 C ATOM 1379 CD PRO A 93 15.753 6.241 -10.075 1.00 0.00 C ATOM 0 HA PRO A 93 18.006 8.093 -8.622 1.00 0.00 H new ATOM 0 HB2 PRO A 93 16.872 9.266 -10.871 1.00 0.00 H new ATOM 0 HB3 PRO A 93 17.925 7.873 -11.022 1.00 0.00 H new ATOM 0 HG2 PRO A 93 14.915 7.980 -11.024 1.00 0.00 H new ATOM 0 HG3 PRO A 93 15.984 7.049 -12.055 1.00 0.00 H new ATOM 0 HD2 PRO A 93 14.722 5.922 -9.920 1.00 0.00 H new ATOM 0 HD3 PRO A 93 16.303 5.375 -10.442 1.00 0.00 H new ATOM 1387 N PRO A 94 16.975 10.326 -8.145 1.00 0.00 N ATOM 1388 CA PRO A 94 16.397 11.518 -7.517 1.00 0.00 C ATOM 1389 C PRO A 94 15.421 12.243 -8.437 1.00 0.00 C ATOM 1390 O PRO A 94 15.287 11.899 -9.611 1.00 0.00 O ATOM 1391 CB PRO A 94 17.617 12.397 -7.233 1.00 0.00 C ATOM 1392 CG PRO A 94 18.634 11.967 -8.233 1.00 0.00 C ATOM 1393 CD PRO A 94 18.404 10.498 -8.453 1.00 0.00 C ATOM 0 HA PRO A 94 15.818 11.269 -6.628 1.00 0.00 H new ATOM 0 HB2 PRO A 94 17.377 13.455 -7.342 1.00 0.00 H new ATOM 0 HB3 PRO A 94 17.979 12.255 -6.215 1.00 0.00 H new ATOM 0 HG2 PRO A 94 18.525 12.523 -9.164 1.00 0.00 H new ATOM 0 HG3 PRO A 94 19.644 12.153 -7.867 1.00 0.00 H new ATOM 0 HD2 PRO A 94 18.632 10.205 -9.478 1.00 0.00 H new ATOM 0 HD3 PRO A 94 19.032 9.891 -7.800 1.00 0.00 H new ATOM 1401 N GLY A 95 14.741 13.249 -7.896 1.00 0.00 N ATOM 1402 CA GLY A 95 13.786 14.007 -8.684 1.00 0.00 C ATOM 1403 C GLY A 95 12.360 13.538 -8.475 1.00 0.00 C ATOM 1404 O GLY A 95 12.050 12.898 -7.469 1.00 0.00 O ATOM 0 H GLY A 95 14.834 13.553 -6.927 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.860 15.062 -8.422 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.042 13.922 -9.740 1.00 0.00 H new ATOM 1408 N LEU A 96 11.488 13.858 -9.425 1.00 0.00 N ATOM 1409 CA LEU A 96 10.086 13.466 -9.341 1.00 0.00 C ATOM 1410 C LEU A 96 9.953 11.968 -9.086 1.00 0.00 C ATOM 1411 O LEU A 96 10.612 11.157 -9.737 1.00 0.00 O ATOM 1412 CB LEU A 96 9.352 13.843 -10.629 1.00 0.00 C ATOM 1413 CG LEU A 96 7.825 13.865 -10.549 1.00 0.00 C ATOM 1414 CD1 LEU A 96 7.292 12.500 -10.143 1.00 0.00 C ATOM 1415 CD2 LEU A 96 7.357 14.935 -9.573 1.00 0.00 C ATOM 0 H LEU A 96 11.728 14.388 -10.263 1.00 0.00 H new ATOM 0 HA LEU A 96 9.635 13.999 -8.504 1.00 0.00 H new ATOM 0 HB2 LEU A 96 9.694 14.829 -10.943 1.00 0.00 H new ATOM 0 HB3 LEU A 96 9.645 13.141 -11.409 1.00 0.00 H new ATOM 0 HG LEU A 96 7.432 14.106 -11.537 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.204 12.535 -10.091 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.597 11.757 -10.880 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.693 12.229 -9.167 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.268 14.936 -9.529 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.760 14.725 -8.582 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.708 15.911 -9.908 1.00 0.00 H new ATOM 1427 N VAL A 97 9.095 11.608 -8.137 1.00 0.00 N ATOM 1428 CA VAL A 97 8.873 10.207 -7.798 1.00 0.00 C ATOM 1429 C VAL A 97 7.399 9.839 -7.923 1.00 0.00 C ATOM 1430 O VAL A 97 6.583 10.203 -7.076 1.00 0.00 O ATOM 1431 CB VAL A 97 9.350 9.893 -6.368 1.00 0.00 C ATOM 1432 CG1 VAL A 97 9.062 8.441 -6.016 1.00 0.00 C ATOM 1433 CG2 VAL A 97 10.833 10.201 -6.222 1.00 0.00 C ATOM 0 H VAL A 97 8.542 12.267 -7.589 1.00 0.00 H new ATOM 0 HA VAL A 97 9.454 9.614 -8.505 1.00 0.00 H new ATOM 0 HB VAL A 97 8.800 10.527 -5.672 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.406 8.237 -5.002 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.989 8.257 -6.079 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.584 7.787 -6.714 1.00 0.00 H new ATOM 0 HG21 VAL A 97 11.154 9.973 -5.205 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.402 9.594 -6.926 1.00 0.00 H new ATOM 0 HG23 VAL A 97 11.008 11.257 -6.430 1.00 0.00 H new ATOM 1443 N HIS A 98 7.064 9.114 -8.986 1.00 0.00 N ATOM 1444 CA HIS A 98 5.687 8.694 -9.221 1.00 0.00 C ATOM 1445 C HIS A 98 5.428 7.317 -8.618 1.00 0.00 C ATOM 1446 O HIS A 98 5.800 6.295 -9.195 1.00 0.00 O ATOM 1447 CB HIS A 98 5.388 8.672 -10.720 1.00 0.00 C ATOM 1448 CG HIS A 98 5.110 10.026 -11.296 1.00 0.00 C ATOM 1449 ND1 HIS A 98 5.785 10.534 -12.386 1.00 0.00 N ATOM 1450 CD2 HIS A 98 4.222 10.979 -10.928 1.00 0.00 C ATOM 1451 CE1 HIS A 98 5.325 11.741 -12.663 1.00 0.00 C ATOM 1452 NE2 HIS A 98 4.376 12.035 -11.793 1.00 0.00 N ATOM 0 H HIS A 98 7.727 8.806 -9.697 1.00 0.00 H new ATOM 0 HA HIS A 98 5.026 9.413 -8.736 1.00 0.00 H new ATOM 0 HB2 HIS A 98 6.235 8.230 -11.244 1.00 0.00 H new ATOM 0 HB3 HIS A 98 4.529 8.026 -10.901 1.00 0.00 H new ATOM 0 HD2 HIS A 98 3.523 10.920 -10.107 1.00 0.00 H new ATOM 0 HE1 HIS A 98 5.667 12.379 -13.465 1.00 0.00 H new ATOM 0 HE2 HIS A 98 3.844 12.905 -11.767 1.00 0.00 H new ATOM 1461 N LEU A 99 4.788 7.297 -7.454 1.00 0.00 N ATOM 1462 CA LEU A 99 4.480 6.045 -6.772 1.00 0.00 C ATOM 1463 C LEU A 99 3.014 6.001 -6.353 1.00 0.00 C ATOM 1464 O LEU A 99 2.447 7.007 -5.930 1.00 0.00 O ATOM 1465 CB LEU A 99 5.378 5.875 -5.545 1.00 0.00 C ATOM 1466 CG LEU A 99 5.408 7.051 -4.567 1.00 0.00 C ATOM 1467 CD1 LEU A 99 4.316 6.902 -3.520 1.00 0.00 C ATOM 1468 CD2 LEU A 99 6.774 7.158 -3.905 1.00 0.00 C ATOM 0 H LEU A 99 4.472 8.133 -6.963 1.00 0.00 H new ATOM 0 HA LEU A 99 4.666 5.226 -7.467 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.055 4.986 -5.003 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.396 5.687 -5.888 1.00 0.00 H new ATOM 0 HG LEU A 99 5.224 7.969 -5.125 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.353 7.748 -2.833 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.343 6.875 -4.010 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.468 5.977 -2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.778 8.000 -3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.987 6.239 -3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.537 7.312 -4.668 1.00 0.00 H new ATOM 1480 N GLY A 100 2.405 4.824 -6.471 1.00 0.00 N ATOM 1481 CA GLY A 100 1.011 4.669 -6.099 1.00 0.00 C ATOM 1482 C GLY A 100 0.833 4.404 -4.617 1.00 0.00 C ATOM 1483 O GLY A 100 1.796 4.099 -3.914 1.00 0.00 O ATOM 0 H GLY A 100 2.853 3.976 -6.818 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.463 5.571 -6.372 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.576 3.847 -6.667 1.00 0.00 H new ATOM 1487 N ILE A 101 -0.402 4.523 -4.141 1.00 0.00 N ATOM 1488 CA ILE A 101 -0.703 4.294 -2.733 1.00 0.00 C ATOM 1489 C ILE A 101 -2.112 3.741 -2.555 1.00 0.00 C ATOM 1490 O ILE A 101 -3.035 4.120 -3.277 1.00 0.00 O ATOM 1491 CB ILE A 101 -0.564 5.589 -1.911 1.00 0.00 C ATOM 1492 CG1 ILE A 101 0.797 6.240 -2.169 1.00 0.00 C ATOM 1493 CG2 ILE A 101 -0.744 5.297 -0.429 1.00 0.00 C ATOM 1494 CD1 ILE A 101 1.962 5.433 -1.642 1.00 0.00 C ATOM 0 H ILE A 101 -1.210 4.777 -4.709 1.00 0.00 H new ATOM 0 HA ILE A 101 0.020 3.563 -2.370 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.343 6.285 -2.222 1.00 0.00 H new ATOM 0 HG12 ILE A 101 0.923 6.387 -3.242 1.00 0.00 H new ATOM 0 HG13 ILE A 101 0.812 7.228 -1.708 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -0.643 6.222 0.139 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -1.734 4.873 -0.259 1.00 0.00 H new ATOM 0 HG23 ILE A 101 0.016 4.586 -0.103 1.00 0.00 H new ATOM 0 HD11 ILE A 101 2.894 5.954 -1.860 1.00 0.00 H new ATOM 0 HD12 ILE A 101 1.860 5.308 -0.564 1.00 0.00 H new ATOM 0 HD13 ILE A 101 1.973 4.454 -2.121 1.00 0.00 H new ATOM 1506 N CYS A 102 -2.272 2.844 -1.588 1.00 0.00 N ATOM 1507 CA CYS A 102 -3.570 2.239 -1.313 1.00 0.00 C ATOM 1508 C CYS A 102 -4.096 2.676 0.050 1.00 0.00 C ATOM 1509 O CYS A 102 -3.638 2.195 1.087 1.00 0.00 O ATOM 1510 CB CYS A 102 -3.467 0.714 -1.368 1.00 0.00 C ATOM 1511 SG CYS A 102 -3.769 0.013 -3.007 1.00 0.00 S ATOM 0 H CYS A 102 -1.519 2.520 -0.981 1.00 0.00 H new ATOM 0 HA CYS A 102 -4.270 2.577 -2.078 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -2.473 0.415 -1.034 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -4.181 0.287 -0.664 1.00 0.00 H new ATOM 0 HG CYS A 102 -3.657 -1.281 -2.953 1.00 0.00 H new ATOM 1517 N SER A 103 -5.060 3.591 0.041 1.00 0.00 N ATOM 1518 CA SER A 103 -5.645 4.097 1.277 1.00 0.00 C ATOM 1519 C SER A 103 -5.993 2.952 2.223 1.00 0.00 C ATOM 1520 O SER A 103 -6.914 2.178 1.966 1.00 0.00 O ATOM 1521 CB SER A 103 -6.897 4.921 0.974 1.00 0.00 C ATOM 1522 OG SER A 103 -7.505 5.384 2.167 1.00 0.00 O ATOM 0 H SER A 103 -5.452 3.997 -0.808 1.00 0.00 H new ATOM 0 HA SER A 103 -4.907 4.735 1.763 1.00 0.00 H new ATOM 0 HB2 SER A 103 -6.633 5.770 0.344 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.607 4.315 0.412 1.00 0.00 H new ATOM 0 HG SER A 103 -8.302 5.909 1.945 1.00 0.00 H new ATOM 1528 N GLY A 104 -5.247 2.850 3.319 1.00 0.00 N ATOM 1529 CA GLY A 104 -5.491 1.797 4.287 1.00 0.00 C ATOM 1530 C GLY A 104 -6.270 2.286 5.492 1.00 0.00 C ATOM 1531 O GLY A 104 -7.050 3.235 5.410 1.00 0.00 O ATOM 0 H GLY A 104 -4.478 3.478 3.554 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -6.041 0.987 3.807 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.538 1.384 4.618 1.00 0.00 H new