USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 502 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 49 TYR OH : rot 40:sc= 0.754 USER MOD Set 1.2: A 52 SER OG : rot -161:sc= 1.22 USER MOD Single : A 18 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00682) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -156:sc= -0.973 USER MOD Single : A 45 GLN : amide:sc= -1.57 K(o=-1.6,f=-0.49) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -2.66! C(o=-2.7!,f=-10!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -3.78! C(o=-3.8!,f=-5.5!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= -2.44! USER MOD Single : A 75 SER OG : rot 137:sc= 0.235 USER MOD Single : A 92 SER OG : rot 102:sc= -1.77 USER MOD ----------------------------------------------------------------- ATOM 145 N CYS A 10 5.590 -10.765 -15.997 1.00 0.00 N ATOM 146 CA CYS A 10 6.078 -10.231 -17.275 1.00 0.00 C ATOM 147 C CYS A 10 7.389 -9.453 -17.095 1.00 0.00 C ATOM 148 O CYS A 10 7.970 -9.445 -16.010 1.00 0.00 O ATOM 149 CB CYS A 10 5.008 -9.322 -17.895 1.00 0.00 C ATOM 150 SG CYS A 10 5.153 -9.093 -19.703 1.00 0.00 S ATOM 0 HA CYS A 10 6.278 -11.070 -17.941 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.025 -9.737 -17.673 1.00 0.00 H new ATOM 0 HB3 CYS A 10 5.057 -8.345 -17.414 1.00 0.00 H new ATOM 155 N LEU A 11 7.850 -8.807 -18.171 1.00 0.00 N ATOM 156 CA LEU A 11 9.087 -8.028 -18.146 1.00 0.00 C ATOM 157 C LEU A 11 8.893 -6.730 -17.363 1.00 0.00 C ATOM 158 O LEU A 11 8.118 -5.855 -17.768 1.00 0.00 O ATOM 159 CB LEU A 11 9.533 -7.712 -19.576 1.00 0.00 C ATOM 160 CG LEU A 11 11.011 -7.975 -19.866 1.00 0.00 C ATOM 161 CD1 LEU A 11 11.332 -9.450 -19.698 1.00 0.00 C ATOM 162 CD2 LEU A 11 11.368 -7.509 -21.270 1.00 0.00 C ATOM 0 H LEU A 11 7.379 -8.810 -19.076 1.00 0.00 H new ATOM 0 HA LEU A 11 9.857 -8.619 -17.650 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.932 -8.303 -20.267 1.00 0.00 H new ATOM 0 HB3 LEU A 11 9.319 -6.664 -19.784 1.00 0.00 H new ATOM 0 HG LEU A 11 11.609 -7.409 -19.152 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.388 -9.619 -19.908 1.00 0.00 H new ATOM 0 HD12 LEU A 11 11.112 -9.756 -18.675 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.726 -10.035 -20.390 1.00 0.00 H new ATOM 0 HD21 LEU A 11 12.423 -7.703 -21.461 1.00 0.00 H new ATOM 0 HD22 LEU A 11 10.762 -8.049 -21.998 1.00 0.00 H new ATOM 0 HD23 LEU A 11 11.174 -6.440 -21.359 1.00 0.00 H new ATOM 174 N PRO A 12 9.574 -6.591 -16.210 1.00 0.00 N ATOM 175 CA PRO A 12 9.436 -5.410 -15.370 1.00 0.00 C ATOM 176 C PRO A 12 9.662 -4.088 -16.099 1.00 0.00 C ATOM 177 O PRO A 12 10.050 -4.051 -17.269 1.00 0.00 O ATOM 178 CB PRO A 12 10.508 -5.574 -14.293 1.00 0.00 C ATOM 179 CG PRO A 12 10.851 -7.017 -14.266 1.00 0.00 C ATOM 180 CD PRO A 12 10.491 -7.589 -15.618 1.00 0.00 C ATOM 0 HA PRO A 12 8.415 -5.353 -14.992 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.386 -4.970 -14.522 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.138 -5.244 -13.322 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.912 -7.156 -14.060 1.00 0.00 H new ATOM 0 HG3 PRO A 12 10.303 -7.528 -13.474 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.377 -7.731 -16.237 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.010 -8.562 -15.522 1.00 0.00 H new ATOM 188 N CYS A 13 9.390 -3.005 -15.372 1.00 0.00 N ATOM 189 CA CYS A 13 9.510 -1.663 -15.879 1.00 0.00 C ATOM 190 C CYS A 13 9.896 -0.706 -14.749 1.00 0.00 C ATOM 191 O CYS A 13 10.302 -1.133 -13.667 1.00 0.00 O ATOM 192 CB CYS A 13 8.181 -1.248 -16.525 1.00 0.00 C ATOM 193 SG CYS A 13 8.218 0.282 -17.508 1.00 0.00 S ATOM 0 H CYS A 13 9.077 -3.049 -14.402 1.00 0.00 H new ATOM 0 HA CYS A 13 10.295 -1.622 -16.634 1.00 0.00 H new ATOM 0 HB2 CYS A 13 7.842 -2.061 -17.167 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.437 -1.133 -15.737 1.00 0.00 H new ATOM 198 N GLY A 14 9.733 0.581 -15.000 1.00 0.00 N ATOM 199 CA GLY A 14 10.042 1.582 -14.002 1.00 0.00 C ATOM 200 C GLY A 14 11.420 1.407 -13.395 1.00 0.00 C ATOM 201 O GLY A 14 12.340 0.914 -14.048 1.00 0.00 O ATOM 0 H GLY A 14 9.389 0.954 -15.885 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.973 2.571 -14.454 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.294 1.541 -13.210 1.00 0.00 H new ATOM 205 N PRO A 15 11.588 1.825 -12.137 1.00 0.00 N ATOM 206 CA PRO A 15 12.859 1.738 -11.425 1.00 0.00 C ATOM 207 C PRO A 15 13.075 0.366 -10.787 1.00 0.00 C ATOM 208 O PRO A 15 12.586 0.096 -9.691 1.00 0.00 O ATOM 209 CB PRO A 15 12.679 2.824 -10.369 1.00 0.00 C ATOM 210 CG PRO A 15 11.248 2.712 -10.003 1.00 0.00 C ATOM 211 CD PRO A 15 10.542 2.446 -11.304 1.00 0.00 C ATOM 0 HA PRO A 15 13.732 1.868 -12.065 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.328 2.660 -9.509 1.00 0.00 H new ATOM 0 HB3 PRO A 15 12.917 3.812 -10.764 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.083 1.904 -9.290 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.886 3.628 -9.536 1.00 0.00 H new ATOM 0 HD2 PRO A 15 9.688 1.782 -11.170 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.164 3.365 -11.752 1.00 0.00 H new ATOM 219 N GLY A 16 13.806 -0.499 -11.490 1.00 0.00 N ATOM 220 CA GLY A 16 14.071 -1.839 -10.989 1.00 0.00 C ATOM 221 C GLY A 16 13.149 -2.869 -11.611 1.00 0.00 C ATOM 222 O GLY A 16 13.550 -3.623 -12.498 1.00 0.00 O ATOM 0 H GLY A 16 14.220 -0.295 -12.399 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.107 -2.106 -11.198 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.951 -1.852 -9.906 1.00 0.00 H new ATOM 226 N GLY A 17 11.899 -2.875 -11.165 1.00 0.00 N ATOM 227 CA GLY A 17 10.912 -3.787 -11.704 1.00 0.00 C ATOM 228 C GLY A 17 9.567 -3.595 -11.068 1.00 0.00 C ATOM 229 O GLY A 17 8.808 -4.540 -10.847 1.00 0.00 O ATOM 0 H GLY A 17 11.550 -2.257 -10.432 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.829 -3.638 -12.781 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.244 -4.814 -11.549 1.00 0.00 H new ATOM 233 N LYS A 18 9.298 -2.341 -10.769 1.00 0.00 N ATOM 234 CA LYS A 18 8.073 -1.911 -10.137 1.00 0.00 C ATOM 235 C LYS A 18 6.898 -2.123 -11.056 1.00 0.00 C ATOM 236 O LYS A 18 5.773 -2.371 -10.623 1.00 0.00 O ATOM 237 CB LYS A 18 8.202 -0.427 -9.837 1.00 0.00 C ATOM 238 CG LYS A 18 8.474 -0.090 -8.401 1.00 0.00 C ATOM 239 CD LYS A 18 9.342 -1.141 -7.757 1.00 0.00 C ATOM 240 CE LYS A 18 9.685 -0.798 -6.316 1.00 0.00 C ATOM 241 NZ LYS A 18 8.788 -1.487 -5.344 1.00 0.00 N ATOM 0 H LYS A 18 9.943 -1.575 -10.965 1.00 0.00 H new ATOM 0 HA LYS A 18 7.909 -2.487 -9.227 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.005 -0.017 -10.449 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.282 0.071 -10.143 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.965 0.881 -8.338 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.532 -0.007 -7.858 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.829 -2.102 -7.788 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.262 -1.252 -8.331 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.719 -1.077 -6.114 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.612 0.280 -6.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.037 -1.197 -4.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.800 -1.228 -5.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.901 -2.517 -5.437 1.00 0.00 H new ATOM 255 N GLY A 19 7.193 -2.043 -12.326 1.00 0.00 N ATOM 256 CA GLY A 19 6.218 -2.235 -13.341 1.00 0.00 C ATOM 257 C GLY A 19 6.703 -3.132 -14.457 1.00 0.00 C ATOM 258 O GLY A 19 7.606 -3.933 -14.279 1.00 0.00 O ATOM 0 H GLY A 19 8.129 -1.840 -12.678 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.320 -2.666 -12.899 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.936 -1.267 -13.755 1.00 0.00 H new ATOM 262 N ARG A 20 6.040 -2.983 -15.589 1.00 0.00 N ATOM 263 CA ARG A 20 6.316 -3.758 -16.770 1.00 0.00 C ATOM 264 C ARG A 20 5.773 -3.045 -17.998 1.00 0.00 C ATOM 265 O ARG A 20 5.170 -1.978 -17.889 1.00 0.00 O ATOM 266 CB ARG A 20 5.698 -5.134 -16.621 1.00 0.00 C ATOM 267 CG ARG A 20 4.191 -5.107 -16.589 1.00 0.00 C ATOM 268 CD ARG A 20 3.628 -6.296 -17.326 1.00 0.00 C ATOM 269 NE ARG A 20 2.993 -7.251 -16.421 1.00 0.00 N ATOM 270 CZ ARG A 20 1.815 -7.050 -15.837 1.00 0.00 C ATOM 271 NH1 ARG A 20 1.129 -5.939 -16.078 1.00 0.00 N ATOM 272 NH2 ARG A 20 1.323 -7.961 -15.013 1.00 0.00 N ATOM 0 H ARG A 20 5.285 -2.308 -15.709 1.00 0.00 H new ATOM 0 HA ARG A 20 7.393 -3.870 -16.895 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.026 -5.764 -17.447 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.066 -5.593 -15.704 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.843 -5.113 -15.556 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.828 -4.185 -17.042 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.900 -5.955 -18.062 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.427 -6.794 -17.875 1.00 0.00 H new ATOM 0 HE ARG A 20 3.482 -8.124 -16.225 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.505 -5.235 -16.713 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.226 -5.789 -15.628 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.847 -8.816 -14.826 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.420 -7.808 -14.564 1.00 0.00 H new ATOM 286 N CYS A 21 5.970 -3.641 -19.159 1.00 0.00 N ATOM 287 CA CYS A 21 5.488 -3.060 -20.397 1.00 0.00 C ATOM 288 C CYS A 21 3.975 -3.139 -20.479 1.00 0.00 C ATOM 289 O CYS A 21 3.335 -3.748 -19.625 1.00 0.00 O ATOM 290 CB CYS A 21 6.106 -3.792 -21.568 1.00 0.00 C ATOM 291 SG CYS A 21 7.694 -3.098 -22.130 1.00 0.00 S ATOM 0 H CYS A 21 6.461 -4.528 -19.270 1.00 0.00 H new ATOM 0 HA CYS A 21 5.776 -2.009 -20.426 1.00 0.00 H new ATOM 0 HB2 CYS A 21 6.256 -4.836 -21.291 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.403 -3.781 -22.401 1.00 0.00 H new ATOM 296 N PHE A 22 3.418 -2.579 -21.548 1.00 0.00 N ATOM 297 CA PHE A 22 1.970 -2.643 -21.749 1.00 0.00 C ATOM 298 C PHE A 22 1.565 -2.545 -23.220 1.00 0.00 C ATOM 299 O PHE A 22 0.711 -3.303 -23.677 1.00 0.00 O ATOM 300 CB PHE A 22 1.277 -1.563 -20.912 1.00 0.00 C ATOM 301 CG PHE A 22 0.930 -2.028 -19.526 1.00 0.00 C ATOM 302 CD1 PHE A 22 1.917 -2.143 -18.557 1.00 0.00 C ATOM 303 CD2 PHE A 22 -0.370 -2.369 -19.195 1.00 0.00 C ATOM 304 CE1 PHE A 22 1.610 -2.589 -17.288 1.00 0.00 C ATOM 305 CE2 PHE A 22 -0.683 -2.813 -17.922 1.00 0.00 C ATOM 306 CZ PHE A 22 0.309 -2.924 -16.968 1.00 0.00 C ATOM 0 H PHE A 22 3.933 -2.085 -22.277 1.00 0.00 H new ATOM 0 HA PHE A 22 1.641 -3.626 -21.412 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.927 -0.690 -20.845 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.367 -1.244 -21.421 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.936 -1.881 -18.799 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.149 -2.288 -19.939 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.388 -2.676 -16.544 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.702 -3.072 -17.675 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.068 -3.272 -15.974 1.00 0.00 H new ATOM 316 N GLY A 23 2.158 -1.610 -23.949 1.00 0.00 N ATOM 317 CA GLY A 23 1.789 -1.466 -25.351 1.00 0.00 C ATOM 318 C GLY A 23 2.618 -0.493 -26.175 1.00 0.00 C ATOM 319 O GLY A 23 3.750 -0.800 -26.546 1.00 0.00 O ATOM 0 H GLY A 23 2.870 -0.962 -23.611 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.848 -2.447 -25.822 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.747 -1.151 -25.399 1.00 0.00 H new ATOM 323 N PRO A 24 2.045 0.679 -26.527 1.00 0.00 N ATOM 324 CA PRO A 24 2.714 1.673 -27.363 1.00 0.00 C ATOM 325 C PRO A 24 3.465 2.705 -26.553 1.00 0.00 C ATOM 326 O PRO A 24 2.873 3.665 -26.057 1.00 0.00 O ATOM 327 CB PRO A 24 1.537 2.317 -28.087 1.00 0.00 C ATOM 328 CG PRO A 24 0.418 2.285 -27.094 1.00 0.00 C ATOM 329 CD PRO A 24 0.680 1.117 -26.169 1.00 0.00 C ATOM 0 HA PRO A 24 3.470 1.235 -28.015 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.769 3.338 -28.390 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.279 1.767 -28.992 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.374 3.219 -26.533 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.542 2.170 -27.598 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.618 1.415 -25.122 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.047 0.319 -26.317 1.00 0.00 H new ATOM 337 N SER A 25 4.767 2.504 -26.395 1.00 0.00 N ATOM 338 CA SER A 25 5.566 3.431 -25.609 1.00 0.00 C ATOM 339 C SER A 25 4.987 3.529 -24.208 1.00 0.00 C ATOM 340 O SER A 25 5.243 4.490 -23.485 1.00 0.00 O ATOM 341 CB SER A 25 5.552 4.816 -26.251 1.00 0.00 C ATOM 342 OG SER A 25 6.777 5.494 -26.033 1.00 0.00 O ATOM 0 H SER A 25 5.284 1.721 -26.794 1.00 0.00 H new ATOM 0 HA SER A 25 6.592 3.066 -25.567 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.371 4.722 -27.322 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.730 5.402 -25.839 1.00 0.00 H new ATOM 0 HG SER A 25 6.742 6.377 -26.456 1.00 0.00 H new ATOM 348 N ILE A 26 4.166 2.548 -23.844 1.00 0.00 N ATOM 349 CA ILE A 26 3.517 2.561 -22.556 1.00 0.00 C ATOM 350 C ILE A 26 4.083 1.530 -21.586 1.00 0.00 C ATOM 351 O ILE A 26 4.620 0.472 -21.963 1.00 0.00 O ATOM 352 CB ILE A 26 2.005 2.356 -22.703 1.00 0.00 C ATOM 353 CG1 ILE A 26 1.248 3.095 -21.619 1.00 0.00 C ATOM 354 CG2 ILE A 26 1.671 0.894 -22.624 1.00 0.00 C ATOM 355 CD1 ILE A 26 -0.250 3.002 -21.826 1.00 0.00 C ATOM 0 H ILE A 26 3.941 1.741 -24.427 1.00 0.00 H new ATOM 0 HA ILE A 26 3.715 3.545 -22.132 1.00 0.00 H new ATOM 0 HB ILE A 26 1.708 2.752 -23.674 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.508 2.681 -20.645 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.551 4.142 -21.611 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.594 0.761 -22.730 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.183 0.360 -23.424 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.993 0.499 -21.660 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.762 3.543 -21.030 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.512 3.440 -22.789 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.556 1.956 -21.808 1.00 0.00 H new ATOM 367 N CYS A 27 3.917 1.875 -20.329 1.00 0.00 N ATOM 368 CA CYS A 27 4.368 1.080 -19.219 1.00 0.00 C ATOM 369 C CYS A 27 3.546 1.401 -17.969 1.00 0.00 C ATOM 370 O CYS A 27 2.964 2.481 -17.851 1.00 0.00 O ATOM 371 CB CYS A 27 5.837 1.386 -18.974 1.00 0.00 C ATOM 372 SG CYS A 27 6.924 -0.070 -19.021 1.00 0.00 S ATOM 0 H CYS A 27 3.453 2.739 -20.048 1.00 0.00 H new ATOM 0 HA CYS A 27 4.241 0.021 -19.445 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.176 2.102 -19.722 1.00 0.00 H new ATOM 0 HB3 CYS A 27 5.938 1.869 -18.002 1.00 0.00 H new ATOM 377 N CYS A 28 3.519 0.465 -17.040 1.00 0.00 N ATOM 378 CA CYS A 28 2.795 0.619 -15.799 1.00 0.00 C ATOM 379 C CYS A 28 3.572 -0.038 -14.679 1.00 0.00 C ATOM 380 O CYS A 28 4.258 -1.033 -14.914 1.00 0.00 O ATOM 381 CB CYS A 28 1.421 -0.034 -15.921 1.00 0.00 C ATOM 382 SG CYS A 28 0.068 0.894 -15.148 1.00 0.00 S ATOM 0 H CYS A 28 4.003 -0.429 -17.128 1.00 0.00 H new ATOM 0 HA CYS A 28 2.670 1.680 -15.581 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.192 -0.171 -16.978 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.465 -1.027 -15.473 1.00 0.00 H new ATOM 387 N GLY A 29 3.443 0.469 -13.459 1.00 0.00 N ATOM 388 CA GLY A 29 4.121 -0.138 -12.364 1.00 0.00 C ATOM 389 C GLY A 29 3.191 -0.353 -11.182 1.00 0.00 C ATOM 390 O GLY A 29 2.026 0.042 -11.239 1.00 0.00 O ATOM 0 H GLY A 29 2.880 1.286 -13.224 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.538 -1.095 -12.678 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.958 0.490 -12.060 1.00 0.00 H new ATOM 394 N ASP A 30 3.678 -0.979 -10.114 1.00 0.00 N ATOM 395 CA ASP A 30 2.847 -1.227 -8.947 1.00 0.00 C ATOM 396 C ASP A 30 2.658 0.075 -8.181 1.00 0.00 C ATOM 397 O ASP A 30 1.670 0.782 -8.377 1.00 0.00 O ATOM 398 CB ASP A 30 3.488 -2.293 -8.054 1.00 0.00 C ATOM 399 CG ASP A 30 2.709 -3.594 -8.052 1.00 0.00 C ATOM 400 OD1 ASP A 30 2.379 -4.089 -9.151 1.00 0.00 O ATOM 401 OD2 ASP A 30 2.431 -4.119 -6.954 1.00 0.00 O ATOM 0 H ASP A 30 4.636 -1.320 -10.035 1.00 0.00 H new ATOM 0 HA ASP A 30 1.873 -1.598 -9.266 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.506 -2.483 -8.394 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.558 -1.914 -7.034 1.00 0.00 H new ATOM 406 N GLU A 31 3.642 0.422 -7.366 1.00 0.00 N ATOM 407 CA GLU A 31 3.618 1.674 -6.640 1.00 0.00 C ATOM 408 C GLU A 31 3.934 2.792 -7.625 1.00 0.00 C ATOM 409 O GLU A 31 3.816 3.982 -7.333 1.00 0.00 O ATOM 410 CB GLU A 31 4.673 1.655 -5.537 1.00 0.00 C ATOM 411 CG GLU A 31 6.078 1.392 -6.065 1.00 0.00 C ATOM 412 CD GLU A 31 7.082 2.428 -5.600 1.00 0.00 C ATOM 413 OE1 GLU A 31 6.954 2.907 -4.453 1.00 0.00 O ATOM 414 OE2 GLU A 31 7.997 2.763 -6.382 1.00 0.00 O ATOM 0 H GLU A 31 4.468 -0.151 -7.193 1.00 0.00 H new ATOM 0 HA GLU A 31 2.639 1.827 -6.185 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.660 2.610 -5.013 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.415 0.887 -4.807 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.405 0.404 -5.740 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.055 1.378 -7.155 1.00 0.00 H new ATOM 421 N LEU A 32 4.389 2.345 -8.786 1.00 0.00 N ATOM 422 CA LEU A 32 4.809 3.158 -9.881 1.00 0.00 C ATOM 423 C LEU A 32 3.659 3.850 -10.577 1.00 0.00 C ATOM 424 O LEU A 32 3.649 5.071 -10.736 1.00 0.00 O ATOM 425 CB LEU A 32 5.511 2.206 -10.815 1.00 0.00 C ATOM 426 CG LEU A 32 6.976 2.430 -11.092 1.00 0.00 C ATOM 427 CD1 LEU A 32 7.362 1.601 -12.294 1.00 0.00 C ATOM 428 CD2 LEU A 32 7.326 3.900 -11.302 1.00 0.00 C ATOM 0 H LEU A 32 4.474 1.348 -8.984 1.00 0.00 H new ATOM 0 HA LEU A 32 5.452 3.969 -9.540 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.399 1.200 -10.411 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.985 2.227 -11.769 1.00 0.00 H new ATOM 0 HG LEU A 32 7.545 2.119 -10.216 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.420 1.748 -12.513 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.178 0.547 -12.084 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.767 1.909 -13.154 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.394 3.995 -11.497 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.766 4.290 -12.152 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.069 4.467 -10.407 1.00 0.00 H new ATOM 440 N GLY A 33 2.702 3.058 -10.997 1.00 0.00 N ATOM 441 CA GLY A 33 1.560 3.583 -11.687 1.00 0.00 C ATOM 442 C GLY A 33 1.705 3.468 -13.191 1.00 0.00 C ATOM 443 O GLY A 33 2.615 2.804 -13.683 1.00 0.00 O ATOM 0 H GLY A 33 2.696 2.046 -10.870 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.665 3.049 -11.367 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.421 4.629 -11.415 1.00 0.00 H new ATOM 447 N CYS A 34 0.797 4.081 -13.937 1.00 0.00 N ATOM 448 CA CYS A 34 0.854 3.998 -15.385 1.00 0.00 C ATOM 449 C CYS A 34 1.406 5.256 -16.028 1.00 0.00 C ATOM 450 O CYS A 34 0.943 6.364 -15.761 1.00 0.00 O ATOM 451 CB CYS A 34 -0.518 3.701 -15.945 1.00 0.00 C ATOM 452 SG CYS A 34 -0.649 2.043 -16.655 1.00 0.00 S ATOM 0 H CYS A 34 0.023 4.633 -13.568 1.00 0.00 H new ATOM 0 HA CYS A 34 1.540 3.186 -15.624 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.259 3.810 -15.153 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.759 4.438 -16.711 1.00 0.00 H new ATOM 457 N PHE A 35 2.386 5.064 -16.900 1.00 0.00 N ATOM 458 CA PHE A 35 3.004 6.168 -17.621 1.00 0.00 C ATOM 459 C PHE A 35 3.056 5.857 -19.116 1.00 0.00 C ATOM 460 O PHE A 35 3.642 4.855 -19.518 1.00 0.00 O ATOM 461 CB PHE A 35 4.429 6.415 -17.116 1.00 0.00 C ATOM 462 CG PHE A 35 4.692 5.957 -15.714 1.00 0.00 C ATOM 463 CD1 PHE A 35 4.691 4.608 -15.400 1.00 0.00 C ATOM 464 CD2 PHE A 35 4.941 6.879 -14.712 1.00 0.00 C ATOM 465 CE1 PHE A 35 4.932 4.184 -14.112 1.00 0.00 C ATOM 466 CE2 PHE A 35 5.183 6.458 -13.417 1.00 0.00 C ATOM 467 CZ PHE A 35 5.177 5.107 -13.120 1.00 0.00 C ATOM 0 H PHE A 35 2.772 4.147 -17.126 1.00 0.00 H new ATOM 0 HA PHE A 35 2.402 7.060 -17.450 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.128 5.911 -17.784 1.00 0.00 H new ATOM 0 HB3 PHE A 35 4.641 7.482 -17.179 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.499 3.880 -16.174 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.946 7.934 -14.943 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.929 3.129 -13.880 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.376 7.182 -12.640 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.365 4.776 -12.109 1.00 0.00 H new ATOM 477 N VAL A 36 2.470 6.718 -19.943 1.00 0.00 N ATOM 478 CA VAL A 36 2.504 6.504 -21.386 1.00 0.00 C ATOM 479 C VAL A 36 3.584 7.355 -22.021 1.00 0.00 C ATOM 480 O VAL A 36 3.455 8.574 -22.129 1.00 0.00 O ATOM 481 CB VAL A 36 1.162 6.808 -22.073 1.00 0.00 C ATOM 482 CG1 VAL A 36 1.103 6.124 -23.435 1.00 0.00 C ATOM 483 CG2 VAL A 36 -0.002 6.381 -21.193 1.00 0.00 C ATOM 0 H VAL A 36 1.973 7.558 -19.645 1.00 0.00 H new ATOM 0 HA VAL A 36 2.718 5.445 -21.530 1.00 0.00 H new ATOM 0 HB VAL A 36 1.083 7.884 -22.227 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.149 6.346 -23.913 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.916 6.490 -24.062 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.202 5.046 -23.305 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.941 6.605 -21.698 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.060 5.310 -21.002 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.039 6.922 -20.247 1.00 0.00 H new ATOM 493 N GLY A 37 4.655 6.699 -22.429 1.00 0.00 N ATOM 494 CA GLY A 37 5.767 7.406 -23.041 1.00 0.00 C ATOM 495 C GLY A 37 6.430 8.373 -22.074 1.00 0.00 C ATOM 496 O GLY A 37 7.227 9.221 -22.479 1.00 0.00 O ATOM 0 H GLY A 37 4.779 5.690 -22.350 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.504 6.685 -23.395 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.412 7.953 -23.914 1.00 0.00 H new ATOM 500 N THR A 38 6.098 8.239 -20.792 1.00 0.00 N ATOM 501 CA THR A 38 6.658 9.086 -19.744 1.00 0.00 C ATOM 502 C THR A 38 8.106 8.673 -19.471 1.00 0.00 C ATOM 503 O THR A 38 8.679 7.885 -20.223 1.00 0.00 O ATOM 504 CB THR A 38 5.797 8.946 -18.482 1.00 0.00 C ATOM 505 OG1 THR A 38 4.431 8.843 -18.834 1.00 0.00 O ATOM 506 CG2 THR A 38 5.905 10.087 -17.492 1.00 0.00 C ATOM 0 H THR A 38 5.435 7.542 -20.452 1.00 0.00 H new ATOM 0 HA THR A 38 6.657 10.130 -20.058 1.00 0.00 H new ATOM 0 HB THR A 38 6.184 8.050 -17.997 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.876 9.132 -18.080 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.258 9.890 -16.637 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.937 10.178 -17.152 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.598 11.016 -17.973 1.00 0.00 H new ATOM 514 N ALA A 39 8.696 9.195 -18.402 1.00 0.00 N ATOM 515 CA ALA A 39 10.071 8.865 -18.057 1.00 0.00 C ATOM 516 C ALA A 39 10.189 7.445 -17.517 1.00 0.00 C ATOM 517 O ALA A 39 11.035 6.683 -17.958 1.00 0.00 O ATOM 518 CB ALA A 39 10.618 9.863 -17.052 1.00 0.00 C ATOM 0 H ALA A 39 8.244 9.847 -17.761 1.00 0.00 H new ATOM 0 HA ALA A 39 10.665 8.921 -18.969 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.647 9.603 -16.804 1.00 0.00 H new ATOM 0 HB2 ALA A 39 10.590 10.864 -17.482 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.010 9.839 -16.148 1.00 0.00 H new ATOM 524 N GLU A 40 9.344 7.086 -16.562 1.00 0.00 N ATOM 525 CA GLU A 40 9.380 5.751 -15.982 1.00 0.00 C ATOM 526 C GLU A 40 8.775 4.704 -16.925 1.00 0.00 C ATOM 527 O GLU A 40 8.792 3.508 -16.630 1.00 0.00 O ATOM 528 CB GLU A 40 8.644 5.752 -14.647 1.00 0.00 C ATOM 529 CG GLU A 40 9.573 5.778 -13.442 1.00 0.00 C ATOM 530 CD GLU A 40 9.768 7.175 -12.885 1.00 0.00 C ATOM 531 OE1 GLU A 40 9.725 8.140 -13.677 1.00 0.00 O ATOM 532 OE2 GLU A 40 9.966 7.304 -11.658 1.00 0.00 O ATOM 0 H GLU A 40 8.627 7.698 -16.173 1.00 0.00 H new ATOM 0 HA GLU A 40 10.424 5.479 -15.823 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.984 6.618 -14.606 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.011 4.866 -14.589 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.168 5.133 -12.662 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.541 5.366 -13.726 1.00 0.00 H new ATOM 539 N ALA A 41 8.200 5.161 -18.036 1.00 0.00 N ATOM 540 CA ALA A 41 7.553 4.269 -18.996 1.00 0.00 C ATOM 541 C ALA A 41 8.451 3.873 -20.162 1.00 0.00 C ATOM 542 O ALA A 41 8.100 2.989 -20.945 1.00 0.00 O ATOM 543 CB ALA A 41 6.338 4.953 -19.559 1.00 0.00 C ATOM 0 H ALA A 41 8.169 6.147 -18.294 1.00 0.00 H new ATOM 0 HA ALA A 41 7.300 3.360 -18.451 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.849 4.294 -20.277 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.645 5.187 -18.751 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.638 5.874 -20.058 1.00 0.00 H new ATOM 549 N LEU A 42 9.598 4.514 -20.287 1.00 0.00 N ATOM 550 CA LEU A 42 10.515 4.212 -21.364 1.00 0.00 C ATOM 551 C LEU A 42 11.145 2.831 -21.212 1.00 0.00 C ATOM 552 O LEU A 42 11.751 2.313 -22.149 1.00 0.00 O ATOM 553 CB LEU A 42 11.602 5.288 -21.454 1.00 0.00 C ATOM 554 CG LEU A 42 12.286 5.684 -20.133 1.00 0.00 C ATOM 555 CD1 LEU A 42 12.038 4.654 -19.040 1.00 0.00 C ATOM 556 CD2 LEU A 42 13.779 5.877 -20.348 1.00 0.00 C ATOM 0 H LEU A 42 9.915 5.248 -19.654 1.00 0.00 H new ATOM 0 HA LEU A 42 9.939 4.205 -22.290 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.370 4.941 -22.145 1.00 0.00 H new ATOM 0 HB3 LEU A 42 11.161 6.183 -21.892 1.00 0.00 H new ATOM 0 HG LEU A 42 11.849 6.627 -19.804 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.537 4.969 -18.123 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.967 4.567 -18.859 1.00 0.00 H new ATOM 0 HD13 LEU A 42 12.433 3.688 -19.354 1.00 0.00 H new ATOM 0 HD21 LEU A 42 14.249 6.157 -19.405 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.218 4.947 -20.710 1.00 0.00 H new ATOM 0 HD23 LEU A 42 13.942 6.666 -21.083 1.00 0.00 H new ATOM 568 N ARG A 43 11.002 2.235 -20.034 1.00 0.00 N ATOM 569 CA ARG A 43 11.562 0.919 -19.773 1.00 0.00 C ATOM 570 C ARG A 43 11.195 -0.076 -20.867 1.00 0.00 C ATOM 571 O ARG A 43 11.879 -1.081 -21.052 1.00 0.00 O ATOM 572 CB ARG A 43 11.100 0.413 -18.420 1.00 0.00 C ATOM 573 CG ARG A 43 12.236 0.192 -17.437 1.00 0.00 C ATOM 574 CD ARG A 43 12.994 1.484 -17.179 1.00 0.00 C ATOM 575 NE ARG A 43 12.329 2.318 -16.182 1.00 0.00 N ATOM 576 CZ ARG A 43 12.908 3.352 -15.574 1.00 0.00 C ATOM 577 NH1 ARG A 43 14.155 3.691 -15.870 1.00 0.00 N ATOM 578 NH2 ARG A 43 12.235 4.051 -14.672 1.00 0.00 N ATOM 0 H ARG A 43 10.502 2.645 -19.245 1.00 0.00 H new ATOM 0 HA ARG A 43 12.648 1.014 -19.767 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.396 1.128 -17.995 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.560 -0.524 -18.556 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.839 -0.194 -16.498 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.919 -0.562 -17.829 1.00 0.00 H new ATOM 0 HD2 ARG A 43 14.004 1.251 -16.841 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.090 2.040 -18.111 1.00 0.00 H new ATOM 0 HE ARG A 43 11.364 2.096 -15.937 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.676 3.159 -16.567 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.593 4.484 -15.401 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.274 3.797 -14.443 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.678 4.843 -14.206 1.00 0.00 H new ATOM 592 N CYS A 44 10.115 0.201 -21.591 1.00 0.00 N ATOM 593 CA CYS A 44 9.687 -0.689 -22.655 1.00 0.00 C ATOM 594 C CYS A 44 10.720 -0.705 -23.771 1.00 0.00 C ATOM 595 O CYS A 44 10.673 -1.553 -24.662 1.00 0.00 O ATOM 596 CB CYS A 44 8.310 -0.284 -23.186 1.00 0.00 C ATOM 597 SG CYS A 44 7.172 -1.681 -23.495 1.00 0.00 S ATOM 0 H CYS A 44 9.529 1.025 -21.460 1.00 0.00 H new ATOM 0 HA CYS A 44 9.601 -1.697 -22.250 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.845 0.395 -22.471 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.442 0.272 -24.114 1.00 0.00 H new ATOM 602 N GLN A 45 11.691 0.201 -23.686 1.00 0.00 N ATOM 603 CA GLN A 45 12.765 0.242 -24.644 1.00 0.00 C ATOM 604 C GLN A 45 13.612 -1.019 -24.479 1.00 0.00 C ATOM 605 O GLN A 45 14.358 -1.420 -25.376 1.00 0.00 O ATOM 606 CB GLN A 45 13.617 1.487 -24.421 1.00 0.00 C ATOM 607 CG GLN A 45 13.344 2.603 -25.415 1.00 0.00 C ATOM 608 CD GLN A 45 13.315 3.974 -24.765 1.00 0.00 C ATOM 609 OE1 GLN A 45 14.353 4.609 -24.579 1.00 0.00 O ATOM 610 NE2 GLN A 45 12.120 4.437 -24.416 1.00 0.00 N ATOM 0 H GLN A 45 11.746 0.913 -22.958 1.00 0.00 H new ATOM 0 HA GLN A 45 12.361 0.283 -25.656 1.00 0.00 H new ATOM 0 HB2 GLN A 45 13.441 1.860 -23.412 1.00 0.00 H new ATOM 0 HB3 GLN A 45 14.670 1.211 -24.479 1.00 0.00 H new ATOM 0 HG2 GLN A 45 14.111 2.589 -26.190 1.00 0.00 H new ATOM 0 HG3 GLN A 45 12.389 2.419 -25.908 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.285 3.877 -24.589 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.037 5.353 -23.975 1.00 0.00 H new ATOM 619 N GLU A 46 13.416 -1.676 -23.337 1.00 0.00 N ATOM 620 CA GLU A 46 14.086 -2.929 -23.043 1.00 0.00 C ATOM 621 C GLU A 46 13.312 -4.060 -23.714 1.00 0.00 C ATOM 622 O GLU A 46 13.827 -5.163 -23.910 1.00 0.00 O ATOM 623 CB GLU A 46 14.188 -3.147 -21.526 1.00 0.00 C ATOM 624 CG GLU A 46 12.899 -3.620 -20.865 1.00 0.00 C ATOM 625 CD GLU A 46 13.062 -4.950 -20.153 1.00 0.00 C ATOM 626 OE1 GLU A 46 13.846 -5.792 -20.639 1.00 0.00 O ATOM 627 OE2 GLU A 46 12.406 -5.148 -19.108 1.00 0.00 O ATOM 0 H GLU A 46 12.792 -1.353 -22.598 1.00 0.00 H new ATOM 0 HA GLU A 46 15.104 -2.907 -23.432 1.00 0.00 H new ATOM 0 HB2 GLU A 46 14.971 -3.879 -21.329 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.499 -2.213 -21.058 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.565 -2.868 -20.150 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.119 -3.710 -21.621 1.00 0.00 H new ATOM 634 N GLU A 47 12.070 -3.751 -24.096 1.00 0.00 N ATOM 635 CA GLU A 47 11.216 -4.714 -24.774 1.00 0.00 C ATOM 636 C GLU A 47 11.672 -4.918 -26.219 1.00 0.00 C ATOM 637 O GLU A 47 11.069 -5.694 -26.960 1.00 0.00 O ATOM 638 CB GLU A 47 9.756 -4.248 -24.743 1.00 0.00 C ATOM 639 CG GLU A 47 8.781 -5.331 -24.310 1.00 0.00 C ATOM 640 CD GLU A 47 7.401 -5.160 -24.913 1.00 0.00 C ATOM 641 OE1 GLU A 47 7.015 -4.008 -25.201 1.00 0.00 O ATOM 642 OE2 GLU A 47 6.706 -6.180 -25.101 1.00 0.00 O ATOM 0 H GLU A 47 11.638 -2.839 -23.945 1.00 0.00 H new ATOM 0 HA GLU A 47 11.293 -5.666 -24.249 1.00 0.00 H new ATOM 0 HB2 GLU A 47 9.668 -3.399 -24.064 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.475 -3.893 -25.735 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.178 -6.305 -24.595 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.700 -5.326 -23.223 1.00 0.00 H new ATOM 649 N ASN A 48 12.752 -4.237 -26.615 1.00 0.00 N ATOM 650 CA ASN A 48 13.275 -4.376 -27.960 1.00 0.00 C ATOM 651 C ASN A 48 13.778 -5.801 -28.203 1.00 0.00 C ATOM 652 O ASN A 48 14.012 -6.198 -29.344 1.00 0.00 O ATOM 653 CB ASN A 48 14.404 -3.368 -28.195 1.00 0.00 C ATOM 654 CG ASN A 48 14.087 -2.396 -29.315 1.00 0.00 C ATOM 655 OD1 ASN A 48 14.471 -2.609 -30.465 1.00 0.00 O ATOM 656 ND2 ASN A 48 13.379 -1.322 -28.984 1.00 0.00 N ATOM 0 H ASN A 48 13.272 -3.591 -26.021 1.00 0.00 H new ATOM 0 HA ASN A 48 12.468 -4.173 -28.664 1.00 0.00 H new ATOM 0 HB2 ASN A 48 14.588 -2.812 -27.276 1.00 0.00 H new ATOM 0 HB3 ASN A 48 15.323 -3.904 -28.432 1.00 0.00 H new ATOM 0 HD21 ASN A 48 13.133 -0.634 -29.696 1.00 0.00 H new ATOM 0 HD22 ASN A 48 13.081 -1.185 -28.018 1.00 0.00 H new ATOM 663 N TYR A 49 13.929 -6.569 -27.120 1.00 0.00 N ATOM 664 CA TYR A 49 14.396 -7.952 -27.210 1.00 0.00 C ATOM 665 C TYR A 49 13.437 -8.801 -28.059 1.00 0.00 C ATOM 666 O TYR A 49 12.892 -8.318 -29.051 1.00 0.00 O ATOM 667 CB TYR A 49 14.558 -8.543 -25.799 1.00 0.00 C ATOM 668 CG TYR A 49 13.249 -8.844 -25.097 1.00 0.00 C ATOM 669 CD1 TYR A 49 12.240 -7.897 -25.032 1.00 0.00 C ATOM 670 CD2 TYR A 49 13.027 -10.078 -24.500 1.00 0.00 C ATOM 671 CE1 TYR A 49 11.046 -8.167 -24.393 1.00 0.00 C ATOM 672 CE2 TYR A 49 11.836 -10.356 -23.859 1.00 0.00 C ATOM 673 CZ TYR A 49 10.848 -9.399 -23.807 1.00 0.00 C ATOM 674 OH TYR A 49 9.660 -9.675 -23.167 1.00 0.00 O ATOM 0 H TYR A 49 13.734 -6.254 -26.170 1.00 0.00 H new ATOM 0 HA TYR A 49 15.368 -7.962 -27.704 1.00 0.00 H new ATOM 0 HB2 TYR A 49 15.140 -9.462 -25.867 1.00 0.00 H new ATOM 0 HB3 TYR A 49 15.132 -7.846 -25.189 1.00 0.00 H new ATOM 0 HD1 TYR A 49 12.390 -6.930 -25.489 1.00 0.00 H new ATOM 0 HD2 TYR A 49 13.799 -10.833 -24.538 1.00 0.00 H new ATOM 0 HE1 TYR A 49 10.271 -7.416 -24.352 1.00 0.00 H new ATOM 0 HE2 TYR A 49 11.680 -11.321 -23.400 1.00 0.00 H new ATOM 0 HH TYR A 49 8.916 -9.297 -23.681 1.00 0.00 H new ATOM 684 N LEU A 50 13.242 -10.068 -27.683 1.00 0.00 N ATOM 685 CA LEU A 50 12.361 -10.957 -28.434 1.00 0.00 C ATOM 686 C LEU A 50 10.997 -11.100 -27.754 1.00 0.00 C ATOM 687 O LEU A 50 10.876 -10.924 -26.541 1.00 0.00 O ATOM 688 CB LEU A 50 13.007 -12.335 -28.588 1.00 0.00 C ATOM 689 CG LEU A 50 14.075 -12.434 -29.683 1.00 0.00 C ATOM 690 CD1 LEU A 50 15.467 -12.476 -29.070 1.00 0.00 C ATOM 691 CD2 LEU A 50 13.835 -13.660 -30.556 1.00 0.00 C ATOM 0 H LEU A 50 13.681 -10.496 -26.868 1.00 0.00 H new ATOM 0 HA LEU A 50 12.206 -10.515 -29.418 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.458 -12.616 -27.636 1.00 0.00 H new ATOM 0 HB3 LEU A 50 12.225 -13.064 -28.798 1.00 0.00 H new ATOM 0 HG LEU A 50 14.005 -11.547 -30.312 1.00 0.00 H new ATOM 0 HD11 LEU A 50 16.212 -12.546 -29.863 1.00 0.00 H new ATOM 0 HD12 LEU A 50 15.637 -11.568 -28.492 1.00 0.00 H new ATOM 0 HD13 LEU A 50 15.550 -13.344 -28.416 1.00 0.00 H new ATOM 0 HD21 LEU A 50 14.603 -13.713 -31.328 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.876 -14.559 -29.940 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.854 -13.586 -31.025 1.00 0.00 H new ATOM 703 N PRO A 51 9.951 -11.425 -28.537 1.00 0.00 N ATOM 704 CA PRO A 51 8.581 -11.600 -28.028 1.00 0.00 C ATOM 705 C PRO A 51 8.518 -12.427 -26.747 1.00 0.00 C ATOM 706 O PRO A 51 9.505 -13.043 -26.346 1.00 0.00 O ATOM 707 CB PRO A 51 7.894 -12.331 -29.174 1.00 0.00 C ATOM 708 CG PRO A 51 8.561 -11.777 -30.376 1.00 0.00 C ATOM 709 CD PRO A 51 10.012 -11.648 -29.997 1.00 0.00 C ATOM 0 HA PRO A 51 8.120 -10.651 -27.756 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.027 -13.410 -29.101 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.820 -12.142 -29.186 1.00 0.00 H new ATOM 0 HG2 PRO A 51 8.435 -12.436 -31.235 1.00 0.00 H new ATOM 0 HG3 PRO A 51 8.138 -10.811 -30.651 1.00 0.00 H new ATOM 0 HD2 PRO A 51 10.576 -12.547 -30.246 1.00 0.00 H new ATOM 0 HD3 PRO A 51 10.493 -10.817 -30.513 1.00 0.00 H new ATOM 717 N SER A 52 7.347 -12.435 -26.109 1.00 0.00 N ATOM 718 CA SER A 52 7.155 -13.183 -24.869 1.00 0.00 C ATOM 719 C SER A 52 5.719 -13.042 -24.355 1.00 0.00 C ATOM 720 O SER A 52 4.920 -12.300 -24.928 1.00 0.00 O ATOM 721 CB SER A 52 8.136 -12.677 -23.813 1.00 0.00 C ATOM 722 OG SER A 52 7.843 -11.340 -23.445 1.00 0.00 O ATOM 0 H SER A 52 6.520 -11.933 -26.431 1.00 0.00 H new ATOM 0 HA SER A 52 7.340 -14.238 -25.070 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.091 -13.318 -22.933 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.154 -12.737 -24.199 1.00 0.00 H new ATOM 0 HG SER A 52 8.628 -10.939 -23.017 1.00 0.00 H new ATOM 728 N PRO A 53 5.370 -13.748 -23.260 1.00 0.00 N ATOM 729 CA PRO A 53 4.039 -13.694 -22.675 1.00 0.00 C ATOM 730 C PRO A 53 3.945 -12.647 -21.571 1.00 0.00 C ATOM 731 O PRO A 53 4.878 -12.479 -20.787 1.00 0.00 O ATOM 732 CB PRO A 53 3.881 -15.099 -22.098 1.00 0.00 C ATOM 733 CG PRO A 53 5.270 -15.541 -21.741 1.00 0.00 C ATOM 734 CD PRO A 53 6.239 -14.657 -22.498 1.00 0.00 C ATOM 0 HA PRO A 53 3.269 -13.416 -23.394 1.00 0.00 H new ATOM 0 HB2 PRO A 53 3.233 -15.093 -21.222 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.428 -15.774 -22.825 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.434 -15.458 -20.667 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.419 -16.588 -22.006 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.893 -14.109 -21.820 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.881 -15.241 -23.157 1.00 0.00 H new ATOM 742 N CYS A 54 2.821 -11.937 -21.522 1.00 0.00 N ATOM 743 CA CYS A 54 2.627 -10.903 -20.521 1.00 0.00 C ATOM 744 C CYS A 54 1.413 -11.154 -19.637 1.00 0.00 C ATOM 745 O CYS A 54 0.320 -10.656 -19.905 1.00 0.00 O ATOM 746 CB CYS A 54 2.527 -9.524 -21.170 1.00 0.00 C ATOM 747 SG CYS A 54 3.401 -8.218 -20.244 1.00 0.00 S ATOM 0 H CYS A 54 2.037 -12.061 -22.162 1.00 0.00 H new ATOM 0 HA CYS A 54 3.506 -10.934 -19.878 1.00 0.00 H new ATOM 0 HB2 CYS A 54 2.934 -9.576 -22.180 1.00 0.00 H new ATOM 0 HB3 CYS A 54 1.476 -9.251 -21.263 1.00 0.00 H new ATOM 752 N GLN A 55 1.645 -11.899 -18.560 1.00 0.00 N ATOM 753 CA GLN A 55 0.625 -12.215 -17.562 1.00 0.00 C ATOM 754 C GLN A 55 -0.751 -12.521 -18.156 1.00 0.00 C ATOM 755 O GLN A 55 -0.943 -12.542 -19.370 1.00 0.00 O ATOM 756 CB GLN A 55 0.513 -11.073 -16.544 1.00 0.00 C ATOM 757 CG GLN A 55 0.006 -9.763 -17.133 1.00 0.00 C ATOM 758 CD GLN A 55 -1.185 -9.196 -16.380 1.00 0.00 C ATOM 759 OE1 GLN A 55 -1.079 -8.176 -15.700 1.00 0.00 O ATOM 760 NE2 GLN A 55 -2.332 -9.853 -16.506 1.00 0.00 N ATOM 0 H GLN A 55 2.557 -12.306 -18.352 1.00 0.00 H new ATOM 0 HA GLN A 55 0.956 -13.131 -17.072 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.156 -11.381 -15.741 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.492 -10.903 -16.096 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.814 -9.032 -17.128 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.272 -9.923 -18.175 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.377 -10.695 -17.080 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.168 -9.516 -16.029 1.00 0.00 H new ATOM 769 N SER A 56 -1.709 -12.746 -17.255 1.00 0.00 N ATOM 770 CA SER A 56 -3.082 -13.039 -17.619 1.00 0.00 C ATOM 771 C SER A 56 -4.016 -12.680 -16.461 1.00 0.00 C ATOM 772 O SER A 56 -3.557 -12.218 -15.416 1.00 0.00 O ATOM 773 CB SER A 56 -3.239 -14.515 -17.995 1.00 0.00 C ATOM 774 OG SER A 56 -4.336 -14.711 -18.873 1.00 0.00 O ATOM 0 H SER A 56 -1.545 -12.728 -16.248 1.00 0.00 H new ATOM 0 HA SER A 56 -3.349 -12.438 -18.488 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.324 -14.871 -18.468 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.383 -15.109 -17.092 1.00 0.00 H new ATOM 0 HG SER A 56 -4.410 -15.662 -19.097 1.00 0.00 H new ATOM 780 N GLY A 57 -5.324 -12.875 -16.648 1.00 0.00 N ATOM 781 CA GLY A 57 -6.281 -12.538 -15.598 1.00 0.00 C ATOM 782 C GLY A 57 -6.175 -11.079 -15.212 1.00 0.00 C ATOM 783 O GLY A 57 -5.216 -10.678 -14.552 1.00 0.00 O ATOM 0 H GLY A 57 -5.736 -13.257 -17.499 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.293 -12.754 -15.941 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.101 -13.163 -14.723 1.00 0.00 H new ATOM 787 N GLN A 58 -7.117 -10.262 -15.674 1.00 0.00 N ATOM 788 CA GLN A 58 -7.057 -8.841 -15.423 1.00 0.00 C ATOM 789 C GLN A 58 -8.179 -8.285 -14.530 1.00 0.00 C ATOM 790 O GLN A 58 -9.216 -8.909 -14.312 1.00 0.00 O ATOM 791 CB GLN A 58 -7.057 -8.130 -16.763 1.00 0.00 C ATOM 792 CG GLN A 58 -5.660 -7.897 -17.309 1.00 0.00 C ATOM 793 CD GLN A 58 -5.332 -6.430 -17.496 1.00 0.00 C ATOM 794 OE1 GLN A 58 -5.520 -5.872 -18.578 1.00 0.00 O ATOM 795 NE2 GLN A 58 -4.843 -5.793 -16.437 1.00 0.00 N ATOM 0 H GLN A 58 -7.923 -10.565 -16.220 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.143 -8.659 -14.858 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -7.628 -8.719 -17.481 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -7.566 -7.172 -16.660 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.932 -8.342 -16.631 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -5.560 -8.410 -18.265 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.703 -6.294 -15.560 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.607 -4.803 -16.501 1.00 0.00 H new ATOM 804 N LYS A 59 -7.911 -7.055 -14.089 1.00 0.00 N ATOM 805 CA LYS A 59 -8.812 -6.224 -13.297 1.00 0.00 C ATOM 806 C LYS A 59 -9.723 -5.308 -14.165 1.00 0.00 C ATOM 807 O LYS A 59 -9.666 -4.087 -14.005 1.00 0.00 O ATOM 808 CB LYS A 59 -8.005 -5.391 -12.326 1.00 0.00 C ATOM 809 CG LYS A 59 -8.753 -5.011 -11.053 1.00 0.00 C ATOM 810 CD LYS A 59 -10.056 -4.285 -11.351 1.00 0.00 C ATOM 811 CE LYS A 59 -10.925 -4.166 -10.110 1.00 0.00 C ATOM 812 NZ LYS A 59 -12.072 -3.241 -10.323 1.00 0.00 N ATOM 0 H LYS A 59 -7.022 -6.594 -14.283 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.479 -6.896 -12.756 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.105 -5.942 -12.054 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.681 -4.480 -12.829 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.964 -5.910 -10.474 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.118 -4.376 -10.435 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -9.838 -3.291 -11.741 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.602 -4.820 -12.128 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.300 -5.151 -9.833 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.321 -3.809 -9.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.640 -3.187 -9.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.715 -2.294 -10.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.663 -3.595 -11.102 1.00 0.00 H new ATOM 826 N PRO A 60 -10.489 -5.818 -15.146 1.00 0.00 N ATOM 827 CA PRO A 60 -11.282 -4.969 -16.039 1.00 0.00 C ATOM 828 C PRO A 60 -12.242 -3.961 -15.412 1.00 0.00 C ATOM 829 O PRO A 60 -12.979 -4.253 -14.472 1.00 0.00 O ATOM 830 CB PRO A 60 -12.105 -5.949 -16.875 1.00 0.00 C ATOM 831 CG PRO A 60 -11.425 -7.261 -16.766 1.00 0.00 C ATOM 832 CD PRO A 60 -10.551 -7.224 -15.544 1.00 0.00 C ATOM 0 HA PRO A 60 -10.574 -4.336 -16.574 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.129 -6.010 -16.507 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.159 -5.624 -17.914 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -12.157 -8.065 -16.688 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -10.828 -7.457 -17.657 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.967 -7.839 -14.746 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.557 -7.614 -15.762 1.00 0.00 H new ATOM 840 N CYS A 61 -12.218 -2.768 -16.015 1.00 0.00 N ATOM 841 CA CYS A 61 -13.074 -1.661 -15.612 1.00 0.00 C ATOM 842 C CYS A 61 -13.321 -0.710 -16.769 1.00 0.00 C ATOM 843 O CYS A 61 -12.520 -0.621 -17.719 1.00 0.00 O ATOM 844 CB CYS A 61 -12.506 -0.893 -14.432 1.00 0.00 C ATOM 845 SG CYS A 61 -10.700 -1.021 -14.266 1.00 0.00 S ATOM 0 H CYS A 61 -11.601 -2.548 -16.797 1.00 0.00 H new ATOM 0 HA CYS A 61 -14.021 -2.102 -15.302 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.778 0.158 -14.531 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.971 -1.258 -13.516 1.00 0.00 H new ATOM 850 N GLY A 62 -14.464 -0.040 -16.716 1.00 0.00 N ATOM 851 CA GLY A 62 -14.880 0.850 -17.784 1.00 0.00 C ATOM 852 C GLY A 62 -14.111 2.146 -17.889 1.00 0.00 C ATOM 853 O GLY A 62 -14.675 3.172 -18.269 1.00 0.00 O ATOM 0 H GLY A 62 -15.121 -0.099 -15.938 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -14.792 0.318 -18.731 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.936 1.085 -17.647 1.00 0.00 H new ATOM 857 N SER A 63 -12.824 2.109 -17.588 1.00 0.00 N ATOM 858 CA SER A 63 -12.003 3.280 -17.689 1.00 0.00 C ATOM 859 C SER A 63 -11.009 3.124 -18.831 1.00 0.00 C ATOM 860 O SER A 63 -9.839 3.491 -18.711 1.00 0.00 O ATOM 861 CB SER A 63 -11.283 3.532 -16.377 1.00 0.00 C ATOM 862 OG SER A 63 -10.866 4.878 -16.274 1.00 0.00 O ATOM 0 H SER A 63 -12.334 1.272 -17.272 1.00 0.00 H new ATOM 0 HA SER A 63 -12.637 4.141 -17.900 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.943 3.288 -15.544 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.418 2.874 -16.302 1.00 0.00 H new ATOM 0 HG SER A 63 -10.410 5.015 -15.417 1.00 0.00 H new ATOM 868 N GLY A 64 -11.497 2.579 -19.941 1.00 0.00 N ATOM 869 CA GLY A 64 -10.671 2.384 -21.108 1.00 0.00 C ATOM 870 C GLY A 64 -9.757 1.172 -21.029 1.00 0.00 C ATOM 871 O GLY A 64 -8.788 1.080 -21.781 1.00 0.00 O ATOM 0 H GLY A 64 -12.462 2.267 -20.048 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.314 2.283 -21.982 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.062 3.275 -21.261 1.00 0.00 H new ATOM 875 N GLY A 65 -10.057 0.248 -20.127 1.00 0.00 N ATOM 876 CA GLY A 65 -9.229 -0.931 -19.998 1.00 0.00 C ATOM 877 C GLY A 65 -9.346 -1.659 -18.696 1.00 0.00 C ATOM 878 O GLY A 65 -10.411 -1.711 -18.090 1.00 0.00 O ATOM 0 H GLY A 65 -10.851 0.293 -19.489 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.480 -1.620 -20.804 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.188 -0.640 -20.140 1.00 0.00 H new ATOM 882 N ARG A 66 -8.239 -2.265 -18.290 1.00 0.00 N ATOM 883 CA ARG A 66 -8.211 -3.028 -17.063 1.00 0.00 C ATOM 884 C ARG A 66 -7.235 -2.427 -16.087 1.00 0.00 C ATOM 885 O ARG A 66 -6.256 -1.819 -16.508 1.00 0.00 O ATOM 886 CB ARG A 66 -7.823 -4.480 -17.287 1.00 0.00 C ATOM 887 CG ARG A 66 -8.227 -5.046 -18.642 1.00 0.00 C ATOM 888 CD ARG A 66 -9.719 -4.930 -18.865 1.00 0.00 C ATOM 889 NE ARG A 66 -10.210 -5.848 -19.889 1.00 0.00 N ATOM 890 CZ ARG A 66 -11.137 -5.536 -20.794 1.00 0.00 C ATOM 891 NH1 ARG A 66 -11.622 -4.302 -20.869 1.00 0.00 N ATOM 892 NH2 ARG A 66 -11.571 -6.462 -21.637 1.00 0.00 N ATOM 0 H ARG A 66 -7.353 -2.240 -18.795 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.225 -2.995 -16.664 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.743 -4.574 -17.177 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.277 -5.088 -16.505 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.697 -4.515 -19.433 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.928 -6.092 -18.705 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.239 -5.127 -17.927 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.960 -3.907 -19.154 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.818 -6.789 -19.913 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.285 -3.582 -20.230 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.331 -4.074 -21.566 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -11.196 -7.409 -21.592 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -12.280 -6.227 -22.331 1.00 0.00 H new ATOM 906 N CYS A 67 -7.543 -2.517 -14.797 1.00 0.00 N ATOM 907 CA CYS A 67 -6.724 -1.902 -13.726 1.00 0.00 C ATOM 908 C CYS A 67 -5.212 -1.937 -13.904 1.00 0.00 C ATOM 909 O CYS A 67 -4.484 -2.455 -13.054 1.00 0.00 O ATOM 910 CB CYS A 67 -7.033 -2.540 -12.387 1.00 0.00 C ATOM 911 SG CYS A 67 -6.314 -1.654 -10.977 1.00 0.00 S ATOM 0 H CYS A 67 -8.364 -3.015 -14.452 1.00 0.00 H new ATOM 0 HA CYS A 67 -7.013 -0.852 -13.780 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.114 -2.592 -12.260 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -6.663 -3.565 -12.388 1.00 0.00 H new ATOM 916 N ALA A 68 -4.752 -1.376 -14.986 1.00 0.00 N ATOM 917 CA ALA A 68 -3.341 -1.293 -15.294 1.00 0.00 C ATOM 918 C ALA A 68 -2.421 -1.216 -14.064 1.00 0.00 C ATOM 919 O ALA A 68 -1.309 -1.744 -14.116 1.00 0.00 O ATOM 920 CB ALA A 68 -3.121 -0.064 -16.135 1.00 0.00 C ATOM 0 H ALA A 68 -5.352 -0.954 -15.695 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.078 -2.215 -15.812 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.063 0.023 -16.382 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.703 -0.143 -17.053 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.438 0.819 -15.579 1.00 0.00 H new ATOM 926 N ALA A 69 -2.818 -0.539 -12.966 1.00 0.00 N ATOM 927 CA ALA A 69 -1.924 -0.420 -11.803 1.00 0.00 C ATOM 928 C ALA A 69 -2.669 -0.017 -10.513 1.00 0.00 C ATOM 929 O ALA A 69 -3.896 0.059 -10.502 1.00 0.00 O ATOM 930 CB ALA A 69 -0.879 0.649 -12.111 1.00 0.00 C ATOM 0 H ALA A 69 -3.723 -0.081 -12.863 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.474 -1.397 -11.630 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.205 0.754 -11.261 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.309 0.357 -12.993 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.376 1.600 -12.299 1.00 0.00 H new ATOM 936 N ALA A 70 -1.869 0.222 -9.436 1.00 0.00 N ATOM 937 CA ALA A 70 -2.365 0.637 -8.076 1.00 0.00 C ATOM 938 C ALA A 70 -3.843 0.979 -8.107 1.00 0.00 C ATOM 939 O ALA A 70 -4.649 0.569 -7.273 1.00 0.00 O ATOM 940 CB ALA A 70 -1.635 1.886 -7.589 1.00 0.00 C ATOM 0 H ALA A 70 -0.854 0.134 -9.479 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.182 -0.207 -7.411 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.010 2.166 -6.605 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.566 1.681 -7.525 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.806 2.704 -8.289 1.00 0.00 H new ATOM 946 N GLY A 71 -4.133 1.699 -9.146 1.00 0.00 N ATOM 947 CA GLY A 71 -5.432 2.134 -9.491 1.00 0.00 C ATOM 948 C GLY A 71 -5.356 2.953 -10.737 1.00 0.00 C ATOM 949 O GLY A 71 -5.384 4.176 -10.719 1.00 0.00 O ATOM 0 H GLY A 71 -3.422 2.011 -9.807 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.088 1.277 -9.643 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.860 2.722 -8.679 1.00 0.00 H new ATOM 953 N ILE A 72 -5.263 2.225 -11.820 1.00 0.00 N ATOM 954 CA ILE A 72 -5.184 2.773 -13.136 1.00 0.00 C ATOM 955 C ILE A 72 -5.789 1.781 -14.066 1.00 0.00 C ATOM 956 O ILE A 72 -5.209 0.737 -14.325 1.00 0.00 O ATOM 957 CB ILE A 72 -3.743 3.045 -13.626 1.00 0.00 C ATOM 958 CG1 ILE A 72 -3.160 4.281 -12.963 1.00 0.00 C ATOM 959 CG2 ILE A 72 -3.709 3.214 -15.146 1.00 0.00 C ATOM 960 CD1 ILE A 72 -3.346 5.549 -13.770 1.00 0.00 C ATOM 0 H ILE A 72 -5.240 1.205 -11.802 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.700 3.733 -13.114 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.137 2.182 -13.349 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.624 4.411 -11.985 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.095 4.123 -12.792 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.685 3.404 -15.468 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.076 2.304 -15.622 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.342 4.054 -15.433 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.905 6.389 -13.234 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.857 5.439 -14.738 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.410 5.732 -13.919 1.00 0.00 H new ATOM 972 N CYS A 73 -6.942 2.097 -14.562 1.00 0.00 N ATOM 973 CA CYS A 73 -7.599 1.240 -15.472 1.00 0.00 C ATOM 974 C CYS A 73 -7.140 1.721 -16.819 1.00 0.00 C ATOM 975 O CYS A 73 -7.438 2.847 -17.232 1.00 0.00 O ATOM 976 CB CYS A 73 -9.104 1.308 -15.246 1.00 0.00 C ATOM 977 SG CYS A 73 -10.033 -0.080 -15.934 1.00 0.00 S ATOM 0 H CYS A 73 -7.447 2.956 -14.343 1.00 0.00 H new ATOM 0 HA CYS A 73 -7.363 0.182 -15.359 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -9.295 1.360 -14.174 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -9.482 2.233 -15.682 1.00 0.00 H new ATOM 982 N CYS A 74 -6.255 0.948 -17.417 1.00 0.00 N ATOM 983 CA CYS A 74 -5.617 1.398 -18.609 1.00 0.00 C ATOM 984 C CYS A 74 -5.274 0.307 -19.609 1.00 0.00 C ATOM 985 O CYS A 74 -5.132 -0.876 -19.274 1.00 0.00 O ATOM 986 CB CYS A 74 -4.307 2.050 -18.169 1.00 0.00 C ATOM 987 SG CYS A 74 -2.906 1.906 -19.346 1.00 0.00 S ATOM 0 H CYS A 74 -5.974 0.022 -17.094 1.00 0.00 H new ATOM 0 HA CYS A 74 -6.313 2.063 -19.120 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -4.494 3.108 -17.984 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -4.005 1.609 -17.219 1.00 0.00 H new ATOM 992 N SER A 75 -5.135 0.780 -20.837 1.00 0.00 N ATOM 993 CA SER A 75 -4.748 -0.050 -21.960 1.00 0.00 C ATOM 994 C SER A 75 -3.621 0.672 -22.719 1.00 0.00 C ATOM 995 O SER A 75 -2.789 1.318 -22.088 1.00 0.00 O ATOM 996 CB SER A 75 -5.978 -0.240 -22.850 1.00 0.00 C ATOM 997 OG SER A 75 -7.085 -0.701 -22.096 1.00 0.00 O ATOM 0 H SER A 75 -5.289 1.758 -21.081 1.00 0.00 H new ATOM 0 HA SER A 75 -4.387 -1.028 -21.640 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.231 0.704 -23.333 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.751 -0.953 -23.642 1.00 0.00 H new ATOM 0 HG SER A 75 -7.892 -0.217 -22.370 1.00 0.00 H new ATOM 1003 N PRO A 76 -3.593 0.674 -24.067 1.00 0.00 N ATOM 1004 CA PRO A 76 -2.596 1.431 -24.800 1.00 0.00 C ATOM 1005 C PRO A 76 -3.174 2.807 -25.110 1.00 0.00 C ATOM 1006 O PRO A 76 -2.494 3.833 -25.073 1.00 0.00 O ATOM 1007 CB PRO A 76 -2.422 0.614 -26.076 1.00 0.00 C ATOM 1008 CG PRO A 76 -3.750 -0.041 -26.308 1.00 0.00 C ATOM 1009 CD PRO A 76 -4.505 -0.022 -24.995 1.00 0.00 C ATOM 0 HA PRO A 76 -1.655 1.584 -24.272 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.145 1.251 -26.916 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -1.631 -0.128 -25.964 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.309 0.489 -27.079 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.616 -1.065 -26.658 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.455 0.503 -25.089 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.731 -1.031 -24.650 1.00 0.00 H new ATOM 1017 N ASP A 77 -4.462 2.767 -25.422 1.00 0.00 N ATOM 1018 CA ASP A 77 -5.313 3.919 -25.776 1.00 0.00 C ATOM 1019 C ASP A 77 -5.253 4.983 -24.717 1.00 0.00 C ATOM 1020 O ASP A 77 -5.179 6.172 -25.030 1.00 0.00 O ATOM 1021 CB ASP A 77 -6.759 3.464 -25.980 1.00 0.00 C ATOM 1022 CG ASP A 77 -7.254 3.727 -27.389 1.00 0.00 C ATOM 1023 OD1 ASP A 77 -7.714 4.857 -27.656 1.00 0.00 O ATOM 1024 OD2 ASP A 77 -7.182 2.804 -28.227 1.00 0.00 O ATOM 0 H ASP A 77 -4.979 1.888 -25.439 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.936 4.343 -26.707 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.836 2.398 -25.764 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.403 3.981 -25.269 1.00 0.00 H new ATOM 1029 N GLY A 78 -5.170 4.567 -23.455 1.00 0.00 N ATOM 1030 CA GLY A 78 -4.986 5.524 -22.390 1.00 0.00 C ATOM 1031 C GLY A 78 -4.987 4.901 -21.022 1.00 0.00 C ATOM 1032 O GLY A 78 -5.624 3.869 -20.805 1.00 0.00 O ATOM 0 H GLY A 78 -5.227 3.593 -23.158 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.043 6.049 -22.542 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.778 6.271 -22.442 1.00 0.00 H new ATOM 1036 N CYS A 79 -4.345 5.552 -20.070 1.00 0.00 N ATOM 1037 CA CYS A 79 -4.361 5.080 -18.716 1.00 0.00 C ATOM 1038 C CYS A 79 -4.857 6.161 -17.839 1.00 0.00 C ATOM 1039 O CYS A 79 -4.583 7.342 -18.059 1.00 0.00 O ATOM 1040 CB CYS A 79 -3.004 4.684 -18.169 1.00 0.00 C ATOM 1041 SG CYS A 79 -1.982 3.713 -19.303 1.00 0.00 S ATOM 0 H CYS A 79 -3.809 6.407 -20.218 1.00 0.00 H new ATOM 0 HA CYS A 79 -4.994 4.193 -18.727 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.460 5.588 -17.896 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.150 4.111 -17.253 1.00 0.00 H new ATOM 1046 N GLU A 80 -5.568 5.759 -16.838 1.00 0.00 N ATOM 1047 CA GLU A 80 -6.087 6.730 -15.909 1.00 0.00 C ATOM 1048 C GLU A 80 -6.346 6.131 -14.549 1.00 0.00 C ATOM 1049 O GLU A 80 -6.792 4.990 -14.436 1.00 0.00 O ATOM 1050 CB GLU A 80 -7.351 7.385 -16.468 1.00 0.00 C ATOM 1051 CG GLU A 80 -8.581 6.500 -16.396 1.00 0.00 C ATOM 1052 CD GLU A 80 -9.629 7.045 -15.446 1.00 0.00 C ATOM 1053 OE1 GLU A 80 -10.177 8.132 -15.726 1.00 0.00 O ATOM 1054 OE2 GLU A 80 -9.902 6.385 -14.422 1.00 0.00 O ATOM 0 H GLU A 80 -5.804 4.787 -16.637 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.325 7.498 -15.779 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.545 8.306 -15.919 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.176 7.664 -17.507 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.013 6.401 -17.392 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.288 5.500 -16.075 1.00 0.00 H new ATOM 1061 N GLU A 81 -6.089 6.913 -13.507 1.00 0.00 N ATOM 1062 CA GLU A 81 -6.322 6.452 -12.172 1.00 0.00 C ATOM 1063 C GLU A 81 -7.765 6.012 -12.077 1.00 0.00 C ATOM 1064 O GLU A 81 -8.683 6.797 -12.306 1.00 0.00 O ATOM 1065 CB GLU A 81 -6.004 7.551 -11.167 1.00 0.00 C ATOM 1066 CG GLU A 81 -6.444 8.923 -11.610 1.00 0.00 C ATOM 1067 CD GLU A 81 -5.329 9.951 -11.544 1.00 0.00 C ATOM 1068 OE1 GLU A 81 -4.457 9.942 -12.440 1.00 0.00 O ATOM 1069 OE2 GLU A 81 -5.331 10.767 -10.600 1.00 0.00 O ATOM 0 H GLU A 81 -5.721 7.862 -13.575 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.670 5.610 -11.937 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -6.485 7.314 -10.218 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.929 7.565 -10.985 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -6.819 8.866 -12.632 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -7.273 9.253 -10.984 1.00 0.00 H new ATOM 1076 N ASP A 82 -7.952 4.742 -11.776 1.00 0.00 N ATOM 1077 CA ASP A 82 -9.267 4.172 -11.698 1.00 0.00 C ATOM 1078 C ASP A 82 -9.719 3.994 -10.253 1.00 0.00 C ATOM 1079 O ASP A 82 -9.332 3.049 -9.577 1.00 0.00 O ATOM 1080 CB ASP A 82 -9.302 2.836 -12.448 1.00 0.00 C ATOM 1081 CG ASP A 82 -8.226 1.886 -11.983 1.00 0.00 C ATOM 1082 OD1 ASP A 82 -7.647 2.143 -10.917 1.00 0.00 O ATOM 1083 OD2 ASP A 82 -7.969 0.876 -12.675 1.00 0.00 O ATOM 0 H ASP A 82 -7.196 4.086 -11.581 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.965 4.863 -12.170 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.278 2.371 -12.310 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.184 3.019 -13.516 1.00 0.00 H new ATOM 1088 N PRO A 83 -10.566 4.914 -9.773 1.00 0.00 N ATOM 1089 CA PRO A 83 -11.121 4.880 -8.430 1.00 0.00 C ATOM 1090 C PRO A 83 -11.764 3.540 -8.177 1.00 0.00 C ATOM 1091 O PRO A 83 -11.965 3.112 -7.045 1.00 0.00 O ATOM 1092 CB PRO A 83 -12.164 5.997 -8.460 1.00 0.00 C ATOM 1093 CG PRO A 83 -11.629 6.936 -9.472 1.00 0.00 C ATOM 1094 CD PRO A 83 -11.043 6.049 -10.525 1.00 0.00 C ATOM 0 HA PRO A 83 -10.382 5.017 -7.641 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.148 5.621 -8.741 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -12.271 6.474 -7.486 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.415 7.572 -9.880 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -10.875 7.596 -9.043 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -11.788 5.757 -11.265 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.235 6.543 -11.064 1.00 0.00 H new ATOM 1102 N ALA A 84 -11.997 2.866 -9.278 1.00 0.00 N ATOM 1103 CA ALA A 84 -12.518 1.544 -9.305 1.00 0.00 C ATOM 1104 C ALA A 84 -11.495 0.602 -8.691 1.00 0.00 C ATOM 1105 O ALA A 84 -11.825 -0.491 -8.225 1.00 0.00 O ATOM 1106 CB ALA A 84 -12.763 1.191 -10.756 1.00 0.00 C ATOM 0 H ALA A 84 -11.818 3.248 -10.207 1.00 0.00 H new ATOM 0 HA ALA A 84 -13.446 1.462 -8.739 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -13.165 0.180 -10.822 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -13.477 1.894 -11.186 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.824 1.245 -11.307 1.00 0.00 H new ATOM 1112 N CYS A 85 -10.245 1.035 -8.726 1.00 0.00 N ATOM 1113 CA CYS A 85 -9.163 0.241 -8.206 1.00 0.00 C ATOM 1114 C CYS A 85 -8.522 0.706 -6.897 1.00 0.00 C ATOM 1115 O CYS A 85 -8.106 -0.167 -6.138 1.00 0.00 O ATOM 1116 CB CYS A 85 -8.066 0.036 -9.230 1.00 0.00 C ATOM 1117 SG CYS A 85 -7.795 -1.716 -9.613 1.00 0.00 S ATOM 0 H CYS A 85 -9.962 1.936 -9.112 1.00 0.00 H new ATOM 0 HA CYS A 85 -9.671 -0.694 -7.970 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -8.323 0.569 -10.145 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -7.139 0.471 -8.857 1.00 0.00 H new ATOM 1122 N ASP A 86 -8.366 2.026 -6.605 1.00 0.00 N ATOM 1123 CA ASP A 86 -7.656 2.372 -5.332 1.00 0.00 C ATOM 1124 C ASP A 86 -7.040 3.779 -5.125 1.00 0.00 C ATOM 1125 O ASP A 86 -6.691 4.094 -3.986 1.00 0.00 O ATOM 1126 CB ASP A 86 -6.417 1.505 -5.265 1.00 0.00 C ATOM 1127 CG ASP A 86 -5.817 1.425 -3.875 1.00 0.00 C ATOM 1128 OD1 ASP A 86 -6.568 1.128 -2.922 1.00 0.00 O ATOM 1129 OD2 ASP A 86 -4.596 1.655 -3.739 1.00 0.00 O ATOM 0 H ASP A 86 -8.688 2.810 -7.173 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.460 2.259 -4.604 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.666 0.500 -5.604 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.669 1.898 -5.954 1.00 0.00 H new ATOM 1134 N PRO A 87 -6.752 4.595 -6.149 1.00 0.00 N ATOM 1135 CA PRO A 87 -6.033 5.853 -5.948 1.00 0.00 C ATOM 1136 C PRO A 87 -6.965 7.019 -5.880 1.00 0.00 C ATOM 1137 O PRO A 87 -7.219 7.594 -4.822 1.00 0.00 O ATOM 1138 CB PRO A 87 -5.141 5.909 -7.205 1.00 0.00 C ATOM 1139 CG PRO A 87 -5.591 4.770 -8.062 1.00 0.00 C ATOM 1140 CD PRO A 87 -6.957 4.394 -7.567 1.00 0.00 C ATOM 0 HA PRO A 87 -5.478 5.898 -5.011 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -5.254 6.860 -7.725 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -4.087 5.812 -6.944 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -5.623 5.061 -9.112 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -4.903 3.928 -7.985 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.742 5.033 -7.973 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.224 3.366 -7.811 1.00 0.00 H new ATOM 1148 N GLU A 88 -7.542 7.282 -7.014 1.00 0.00 N ATOM 1149 CA GLU A 88 -8.559 8.305 -7.132 1.00 0.00 C ATOM 1150 C GLU A 88 -9.859 7.660 -6.647 1.00 0.00 C ATOM 1151 O GLU A 88 -10.969 8.085 -6.964 1.00 0.00 O ATOM 1152 CB GLU A 88 -8.700 8.675 -8.600 1.00 0.00 C ATOM 1153 CG GLU A 88 -9.608 9.865 -8.859 1.00 0.00 C ATOM 1154 CD GLU A 88 -8.849 11.176 -8.910 1.00 0.00 C ATOM 1155 OE1 GLU A 88 -8.343 11.610 -7.854 1.00 0.00 O ATOM 1156 OE2 GLU A 88 -8.759 11.768 -10.007 1.00 0.00 O ATOM 0 H GLU A 88 -7.328 6.799 -7.887 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.317 9.200 -6.559 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.711 8.892 -9.005 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.085 7.813 -9.145 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.135 9.717 -9.802 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.365 9.917 -8.076 1.00 0.00 H new ATOM 1163 N ALA A 89 -9.629 6.521 -6.010 1.00 0.00 N ATOM 1164 CA ALA A 89 -10.627 5.559 -5.561 1.00 0.00 C ATOM 1165 C ALA A 89 -11.739 5.996 -4.650 1.00 0.00 C ATOM 1166 O ALA A 89 -11.661 6.932 -3.854 1.00 0.00 O ATOM 1167 CB ALA A 89 -9.923 4.381 -4.919 1.00 0.00 C ATOM 0 H ALA A 89 -8.681 6.225 -5.778 1.00 0.00 H new ATOM 0 HA ALA A 89 -11.153 5.336 -6.489 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.663 3.656 -4.580 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.262 3.911 -5.647 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -9.337 4.727 -4.067 1.00 0.00 H new ATOM 1173 N ALA A 90 -12.753 5.167 -4.793 1.00 0.00 N ATOM 1174 CA ALA A 90 -13.993 5.173 -4.053 1.00 0.00 C ATOM 1175 C ALA A 90 -13.799 4.157 -2.970 1.00 0.00 C ATOM 1176 O ALA A 90 -12.644 3.861 -2.654 1.00 0.00 O ATOM 1177 CB ALA A 90 -15.099 4.726 -4.981 1.00 0.00 C ATOM 0 H ALA A 90 -12.727 4.416 -5.482 1.00 0.00 H new ATOM 0 HA ALA A 90 -14.250 6.152 -3.649 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -16.047 4.723 -4.443 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -15.164 5.411 -5.826 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.885 3.721 -5.345 1.00 0.00 H new ATOM 1183 N PHE A 91 -14.832 3.537 -2.423 1.00 0.00 N ATOM 1184 CA PHE A 91 -14.557 2.495 -1.450 1.00 0.00 C ATOM 1185 C PHE A 91 -13.989 1.276 -2.212 1.00 0.00 C ATOM 1186 O PHE A 91 -14.403 0.140 -1.986 1.00 0.00 O ATOM 1187 CB PHE A 91 -15.823 2.102 -0.685 1.00 0.00 C ATOM 1188 CG PHE A 91 -15.586 1.883 0.782 1.00 0.00 C ATOM 1189 CD1 PHE A 91 -14.612 0.999 1.216 1.00 0.00 C ATOM 1190 CD2 PHE A 91 -16.333 2.567 1.728 1.00 0.00 C ATOM 1191 CE1 PHE A 91 -14.387 0.799 2.565 1.00 0.00 C ATOM 1192 CE2 PHE A 91 -16.112 2.373 3.078 1.00 0.00 C ATOM 1193 CZ PHE A 91 -15.138 1.489 3.497 1.00 0.00 C ATOM 0 H PHE A 91 -15.815 3.722 -2.621 1.00 0.00 H new ATOM 0 HA PHE A 91 -13.838 2.858 -0.715 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -16.573 2.882 -0.812 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -16.234 1.191 -1.120 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -14.021 0.459 0.491 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -17.097 3.260 1.406 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -13.626 0.105 2.890 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -16.701 2.913 3.805 1.00 0.00 H new ATOM 0 HZ PHE A 91 -14.963 1.337 4.552 1.00 0.00 H new ATOM 1203 N SER A 92 -13.038 1.544 -3.122 1.00 0.00 N ATOM 1204 CA SER A 92 -12.400 0.514 -3.929 1.00 0.00 C ATOM 1205 C SER A 92 -11.146 -0.013 -3.236 1.00 0.00 C ATOM 1206 O SER A 92 -10.377 0.814 -2.700 1.00 0.00 O ATOM 1207 CB SER A 92 -12.053 1.069 -5.326 1.00 0.00 C ATOM 1208 OG SER A 92 -11.019 0.311 -5.928 1.00 0.00 O ATOM 1209 OXT SER A 92 -10.942 -1.245 -3.235 1.00 0.00 O ATOM 0 H SER A 92 -12.696 2.486 -3.312 1.00 0.00 H new ATOM 0 HA SER A 92 -13.098 -0.315 -4.047 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.940 1.050 -5.960 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.744 2.111 -5.241 1.00 0.00 H new ATOM 0 HG SER A 92 -11.405 -0.304 -6.586 1.00 0.00 H new