USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 408 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 38 GLN : amide:sc= 0.974 K(o=-1.4,f=-10!) USER MOD Set 1.2: A 61 LYS NZ :NH3+ -133:sc= -2.4! (180deg=-2.91) USER MOD Set 2.1: A 14 CYS SG : rot -89:sc= -16.2! USER MOD Set 2.2: A 64 CYS SG : rot -41:sc= -18.3! USER MOD Single : A 10 LYS NZ :NH3+ -172:sc= -1.03 (180deg=-1.44!) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 158:sc= -0.839! USER MOD Single : A 32 TYR OH : rot 98:sc= 0.438 USER MOD Single : A 33 ASN : amide:sc= -0.743 K(o=-0.74,f=-2.3!) USER MOD Single : A 34 ASN : amide:sc= 0.00284 K(o=0.0028,f=-1.3!) USER MOD Single : A 35 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.041) USER MOD Single : A 36 THR OG1 : rot 120:sc= -3.23! USER MOD Single : A 37 LYS NZ :NH3+ -172:sc= -2.37! (180deg=-2.81!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -3.92! C(o=-3.9!,f=-7.6!) USER MOD Single : A 51 MET CE :methyl 151:sc= -0.225 (180deg=-0.908) USER MOD Single : A 52 ASN : amide:sc= -2 K(o=-2,f=-8.5!) USER MOD Single : A 53 ASN : amide:sc= -2.61! C(o=-2.6!,f=-5.7!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.42 USER MOD Single : A 62 ASN : amide:sc= -0.0261 X(o=-0.026,f=0.02) USER MOD ----------------------------------------------------------------- ATOM 145 N LYS A 10 -8.143 9.984 -8.901 1.00 1.00 N ATOM 146 CA LYS A 10 -9.473 9.403 -8.844 1.00 1.00 C ATOM 147 C LYS A 10 -10.481 10.387 -9.442 1.00 1.00 C ATOM 148 O LYS A 10 -10.341 11.595 -9.200 1.00 1.00 O ATOM 149 CB LYS A 10 -9.808 8.973 -7.414 1.00 1.00 C ATOM 150 CG LYS A 10 -10.002 7.458 -7.329 1.00 1.00 C ATOM 151 CD LYS A 10 -11.437 7.110 -6.929 1.00 1.00 C ATOM 152 CE LYS A 10 -11.809 5.699 -7.390 1.00 1.00 C ATOM 153 NZ LYS A 10 -12.106 5.689 -8.831 1.00 1.00 N ATOM 0 HA LYS A 10 -9.518 8.495 -9.445 1.00 1.00 H new ATOM 0 HB2 LYS A 10 -9.007 9.279 -6.741 1.00 1.00 H new ATOM 0 HB3 LYS A 10 -10.714 9.479 -7.081 1.00 1.00 H new ATOM 0 HG2 LYS A 10 -9.769 7.003 -8.292 1.00 1.00 H new ATOM 0 HG3 LYS A 10 -9.306 7.039 -6.602 1.00 1.00 H new ATOM 0 HD2 LYS A 10 -11.544 7.183 -5.847 1.00 1.00 H new ATOM 0 HD3 LYS A 10 -12.126 7.833 -7.367 1.00 1.00 H new ATOM 0 HE2 LYS A 10 -10.990 5.013 -7.177 1.00 1.00 H new ATOM 0 HE3 LYS A 10 -12.675 5.344 -6.832 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 -12.486 4.759 -9.101 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 -12.808 6.426 -9.046 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 -11.234 5.875 -9.366 1.00 1.00 H new ATOM 167 N PRO A 11 -11.460 9.861 -10.198 1.00 1.00 N ATOM 168 CA PRO A 11 -12.495 10.656 -10.838 1.00 1.00 C ATOM 169 C PRO A 11 -13.392 11.328 -9.797 1.00 1.00 C ATOM 170 O PRO A 11 -14.220 10.630 -9.193 1.00 1.00 O ATOM 171 CB PRO A 11 -13.247 9.680 -11.729 1.00 1.00 C ATOM 172 CG PRO A 11 -12.908 8.293 -11.207 1.00 1.00 C ATOM 173 CD PRO A 11 -11.717 8.425 -10.271 1.00 1.00 C ATOM 0 HA PRO A 11 -12.090 11.480 -11.426 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -14.321 9.861 -11.688 1.00 1.00 H new ATOM 0 HB3 PRO A 11 -12.945 9.790 -12.771 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -13.761 7.864 -10.681 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -12.672 7.622 -12.033 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -11.939 8.012 -9.287 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -10.850 7.887 -10.655 1.00 1.00 H new ATOM 181 N ASP A 12 -13.213 12.648 -9.610 1.00 1.00 N ATOM 182 CA ASP A 12 -14.001 13.404 -8.651 1.00 1.00 C ATOM 183 C ASP A 12 -15.478 13.337 -9.045 1.00 1.00 C ATOM 184 O ASP A 12 -16.332 13.425 -8.151 1.00 1.00 O ATOM 185 CB ASP A 12 -13.583 14.875 -8.633 1.00 1.00 C ATOM 186 CG ASP A 12 -12.078 15.121 -8.752 1.00 1.00 C ATOM 187 OD1 ASP A 12 -11.272 14.179 -8.717 1.00 1.00 O ATOM 188 OD2 ASP A 12 -11.736 16.358 -8.887 1.00 1.00 O ATOM 0 H ASP A 12 -12.525 13.204 -10.117 1.00 1.00 H new ATOM 0 HA ASP A 12 -13.838 12.970 -7.664 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -14.086 15.390 -9.451 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -13.938 15.327 -7.706 1.00 1.00 H new ATOM 193 N PHE A 13 -15.745 13.185 -10.355 1.00 1.00 N ATOM 194 CA PHE A 13 -17.106 13.107 -10.859 1.00 1.00 C ATOM 195 C PHE A 13 -17.832 11.946 -10.177 1.00 1.00 C ATOM 196 O PHE A 13 -19.060 12.024 -10.028 1.00 1.00 O ATOM 197 CB PHE A 13 -17.071 12.909 -12.387 1.00 1.00 C ATOM 198 CG PHE A 13 -16.651 11.516 -12.837 1.00 1.00 C ATOM 199 CD1 PHE A 13 -17.492 10.404 -12.597 1.00 1.00 C ATOM 200 CD2 PHE A 13 -15.413 11.326 -13.492 1.00 1.00 C ATOM 201 CE1 PHE A 13 -17.097 9.114 -13.012 1.00 1.00 C ATOM 202 CE2 PHE A 13 -15.019 10.036 -13.907 1.00 1.00 C ATOM 203 CZ PHE A 13 -15.861 8.930 -13.667 1.00 1.00 C ATOM 0 H PHE A 13 -15.027 13.115 -11.076 1.00 1.00 H new ATOM 0 HA PHE A 13 -17.642 14.030 -10.639 1.00 1.00 H new ATOM 0 HB2 PHE A 13 -18.060 13.124 -12.791 1.00 1.00 H new ATOM 0 HB3 PHE A 13 -16.385 13.638 -12.819 1.00 1.00 H new ATOM 0 HD1 PHE A 13 -18.438 10.542 -12.095 1.00 1.00 H new ATOM 0 HD2 PHE A 13 -14.766 12.171 -13.676 1.00 1.00 H new ATOM 0 HE1 PHE A 13 -17.741 8.267 -12.828 1.00 1.00 H new ATOM 0 HE2 PHE A 13 -14.073 9.896 -14.408 1.00 1.00 H new ATOM 0 HZ PHE A 13 -15.560 7.943 -13.985 1.00 1.00 H new ATOM 213 N CYS A 14 -17.072 10.908 -9.783 1.00 1.00 N ATOM 214 CA CYS A 14 -17.639 9.744 -9.125 1.00 1.00 C ATOM 215 C CYS A 14 -18.233 10.164 -7.778 1.00 1.00 C ATOM 216 O CYS A 14 -19.282 9.622 -7.402 1.00 1.00 O ATOM 217 CB CYS A 14 -16.597 8.635 -8.968 1.00 1.00 C ATOM 218 SG CYS A 14 -16.329 7.625 -10.454 1.00 1.00 S ATOM 0 H CYS A 14 -16.062 10.863 -9.915 1.00 1.00 H new ATOM 0 HA CYS A 14 -18.437 9.334 -9.743 1.00 1.00 H new ATOM 0 HB2 CYS A 14 -15.648 9.086 -8.676 1.00 1.00 H new ATOM 0 HB3 CYS A 14 -16.903 7.981 -8.152 1.00 1.00 H new ATOM 0 HG CYS A 14 -17.152 6.619 -10.449 1.00 1.00 H new ATOM 224 N PHE A 15 -17.560 11.105 -7.091 1.00 1.00 N ATOM 225 CA PHE A 15 -18.018 11.590 -5.800 1.00 1.00 C ATOM 226 C PHE A 15 -19.008 12.737 -6.014 1.00 1.00 C ATOM 227 O PHE A 15 -19.350 13.412 -5.031 1.00 1.00 O ATOM 228 CB PHE A 15 -16.805 12.061 -4.976 1.00 1.00 C ATOM 229 CG PHE A 15 -15.580 11.162 -5.077 1.00 1.00 C ATOM 230 CD1 PHE A 15 -15.679 9.783 -4.776 1.00 1.00 C ATOM 231 CD2 PHE A 15 -14.334 11.704 -5.468 1.00 1.00 C ATOM 232 CE1 PHE A 15 -14.541 8.954 -4.867 1.00 1.00 C ATOM 233 CE2 PHE A 15 -13.196 10.873 -5.559 1.00 1.00 C ATOM 234 CZ PHE A 15 -13.300 9.499 -5.259 1.00 1.00 C ATOM 0 H PHE A 15 -16.697 11.538 -7.419 1.00 1.00 H new ATOM 0 HA PHE A 15 -18.522 10.792 -5.255 1.00 1.00 H new ATOM 0 HB2 PHE A 15 -16.530 13.065 -5.300 1.00 1.00 H new ATOM 0 HB3 PHE A 15 -17.100 12.134 -3.929 1.00 1.00 H new ATOM 0 HD1 PHE A 15 -16.628 9.364 -4.476 1.00 1.00 H new ATOM 0 HD2 PHE A 15 -14.252 12.756 -5.698 1.00 1.00 H new ATOM 0 HE1 PHE A 15 -14.620 7.902 -4.637 1.00 1.00 H new ATOM 0 HE2 PHE A 15 -12.246 11.290 -5.858 1.00 1.00 H new ATOM 0 HZ PHE A 15 -12.429 8.864 -5.329 1.00 1.00 H new ATOM 244 N LEU A 16 -19.442 12.933 -7.272 1.00 1.00 N ATOM 245 CA LEU A 16 -20.382 13.988 -7.607 1.00 1.00 C ATOM 246 C LEU A 16 -21.810 13.459 -7.457 1.00 1.00 C ATOM 247 O LEU A 16 -22.050 12.298 -7.819 1.00 1.00 O ATOM 248 CB LEU A 16 -20.080 14.555 -8.996 1.00 1.00 C ATOM 249 CG LEU A 16 -19.910 16.073 -9.078 1.00 1.00 C ATOM 250 CD1 LEU A 16 -18.461 16.478 -8.799 1.00 1.00 C ATOM 251 CD2 LEU A 16 -20.405 16.608 -10.423 1.00 1.00 C ATOM 0 H LEU A 16 -19.148 12.366 -8.067 1.00 1.00 H new ATOM 0 HA LEU A 16 -20.276 14.825 -6.917 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -19.169 14.087 -9.368 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -20.886 14.263 -9.669 1.00 1.00 H new ATOM 0 HG LEU A 16 -20.527 16.528 -8.303 1.00 1.00 H new ATOM 0 HD11 LEU A 16 -18.367 17.562 -8.864 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -18.177 16.148 -7.800 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -17.805 16.013 -9.535 1.00 1.00 H new ATOM 0 HD21 LEU A 16 -20.273 17.689 -10.455 1.00 1.00 H new ATOM 0 HD22 LEU A 16 -19.834 16.148 -11.230 1.00 1.00 H new ATOM 0 HD23 LEU A 16 -21.461 16.368 -10.544 1.00 1.00 H new ATOM 263 N GLU A 17 -22.714 14.307 -6.934 1.00 1.00 N ATOM 264 CA GLU A 17 -24.103 13.927 -6.740 1.00 1.00 C ATOM 265 C GLU A 17 -24.668 13.383 -8.054 1.00 1.00 C ATOM 266 O GLU A 17 -24.220 13.833 -9.119 1.00 1.00 O ATOM 267 CB GLU A 17 -24.940 15.101 -6.227 1.00 1.00 C ATOM 268 CG GLU A 17 -24.513 16.411 -6.892 1.00 1.00 C ATOM 269 CD GLU A 17 -25.661 17.423 -6.899 1.00 1.00 C ATOM 270 OE1 GLU A 17 -26.652 17.240 -6.176 1.00 1.00 O ATOM 271 OE2 GLU A 17 -25.497 18.428 -7.690 1.00 1.00 O ATOM 0 H GLU A 17 -22.495 15.259 -6.641 1.00 1.00 H new ATOM 0 HA GLU A 17 -24.149 13.148 -5.979 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -25.995 14.915 -6.427 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -24.830 15.185 -5.146 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -23.658 16.830 -6.362 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -24.190 16.215 -7.914 1.00 1.00 H new ATOM 278 N GLU A 18 -25.625 12.443 -7.955 1.00 1.00 N ATOM 279 CA GLU A 18 -26.242 11.847 -9.127 1.00 1.00 C ATOM 280 C GLU A 18 -27.001 12.925 -9.903 1.00 1.00 C ATOM 281 O GLU A 18 -27.581 13.814 -9.262 1.00 1.00 O ATOM 282 CB GLU A 18 -27.169 10.690 -8.747 1.00 1.00 C ATOM 283 CG GLU A 18 -28.580 11.196 -8.440 1.00 1.00 C ATOM 284 CD GLU A 18 -29.252 10.330 -7.372 1.00 1.00 C ATOM 285 OE1 GLU A 18 -29.012 9.115 -7.318 1.00 1.00 O ATOM 286 OE2 GLU A 18 -30.047 10.963 -6.578 1.00 1.00 O ATOM 0 H GLU A 18 -25.980 12.087 -7.068 1.00 1.00 H new ATOM 0 HA GLU A 18 -25.459 11.432 -9.761 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -27.207 9.967 -9.562 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -26.768 10.169 -7.877 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -28.533 12.230 -8.099 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -29.179 11.188 -9.350 1.00 1.00 H new ATOM 293 N ASP A 19 -26.983 12.827 -11.244 1.00 1.00 N ATOM 294 CA ASP A 19 -27.665 13.787 -12.095 1.00 1.00 C ATOM 295 C ASP A 19 -28.400 13.042 -13.211 1.00 1.00 C ATOM 296 O ASP A 19 -27.730 12.545 -14.129 1.00 1.00 O ATOM 297 CB ASP A 19 -26.670 14.751 -12.746 1.00 1.00 C ATOM 298 CG ASP A 19 -27.302 15.932 -13.485 1.00 1.00 C ATOM 299 OD1 ASP A 19 -28.591 15.968 -13.453 1.00 1.00 O ATOM 300 OD2 ASP A 19 -26.599 16.775 -14.062 1.00 1.00 O ATOM 0 H ASP A 19 -26.499 12.087 -11.752 1.00 1.00 H new ATOM 0 HA ASP A 19 -28.361 14.351 -11.475 1.00 1.00 H new ATOM 0 HB2 ASP A 19 -26.005 15.139 -11.974 1.00 1.00 H new ATOM 0 HB3 ASP A 19 -26.052 14.192 -13.448 1.00 1.00 H new ATOM 305 N PRO A 20 -29.740 12.979 -13.112 1.00 1.00 N ATOM 306 CA PRO A 20 -30.585 12.309 -14.086 1.00 1.00 C ATOM 307 C PRO A 20 -30.815 13.194 -15.312 1.00 1.00 C ATOM 308 O PRO A 20 -31.529 12.759 -16.228 1.00 1.00 O ATOM 309 CB PRO A 20 -31.868 11.986 -13.337 1.00 1.00 C ATOM 310 CG PRO A 20 -31.877 12.893 -12.116 1.00 1.00 C ATOM 311 CD PRO A 20 -30.482 13.473 -11.956 1.00 1.00 C ATOM 0 HA PRO A 20 -30.132 11.401 -14.483 1.00 1.00 H new ATOM 0 HB2 PRO A 20 -32.742 12.165 -13.963 1.00 1.00 H new ATOM 0 HB3 PRO A 20 -31.896 10.936 -13.044 1.00 1.00 H new ATOM 0 HG2 PRO A 20 -32.610 13.690 -12.238 1.00 1.00 H new ATOM 0 HG3 PRO A 20 -32.162 12.332 -11.226 1.00 1.00 H new ATOM 0 HD2 PRO A 20 -30.506 14.563 -11.937 1.00 1.00 H new ATOM 0 HD3 PRO A 20 -30.023 13.148 -11.022 1.00 1.00 H new ATOM 319 N GLY A 21 -30.217 14.399 -15.307 1.00 1.00 N ATOM 320 CA GLY A 21 -30.356 15.333 -16.411 1.00 1.00 C ATOM 321 C GLY A 21 -31.840 15.628 -16.639 1.00 1.00 C ATOM 322 O GLY A 21 -32.576 14.701 -17.007 1.00 1.00 O ATOM 0 H GLY A 21 -29.633 14.739 -14.543 1.00 1.00 H new ATOM 0 HA2 GLY A 21 -29.819 16.256 -16.191 1.00 1.00 H new ATOM 0 HA3 GLY A 21 -29.913 14.914 -17.315 1.00 1.00 H new ATOM 326 N ILE A 22 -32.243 16.893 -16.421 1.00 1.00 N ATOM 327 CA ILE A 22 -33.626 17.302 -16.603 1.00 1.00 C ATOM 328 C ILE A 22 -34.267 16.448 -17.698 1.00 1.00 C ATOM 329 O ILE A 22 -34.230 16.863 -18.866 1.00 1.00 O ATOM 330 CB ILE A 22 -33.708 18.807 -16.868 1.00 1.00 C ATOM 331 CG1 ILE A 22 -32.429 19.316 -17.536 1.00 1.00 C ATOM 332 CG2 ILE A 22 -34.030 19.574 -15.584 1.00 1.00 C ATOM 333 CD1 ILE A 22 -32.684 20.630 -18.278 1.00 1.00 C ATOM 0 H ILE A 22 -31.621 17.642 -16.118 1.00 1.00 H new ATOM 0 HA ILE A 22 -34.198 17.130 -15.691 1.00 1.00 H new ATOM 0 HB ILE A 22 -34.528 18.987 -17.563 1.00 1.00 H new ATOM 0 HG12 ILE A 22 -31.655 19.464 -16.783 1.00 1.00 H new ATOM 0 HG13 ILE A 22 -32.056 18.567 -18.234 1.00 1.00 H new ATOM 0 HG21 ILE A 22 -34.082 20.641 -15.801 1.00 1.00 H new ATOM 0 HG22 ILE A 22 -34.988 19.237 -15.189 1.00 1.00 H new ATOM 0 HG23 ILE A 22 -33.249 19.392 -14.846 1.00 1.00 H new ATOM 0 HD11 ILE A 22 -31.759 20.970 -18.744 1.00 1.00 H new ATOM 0 HD12 ILE A 22 -33.441 20.473 -19.046 1.00 1.00 H new ATOM 0 HD13 ILE A 22 -33.034 21.384 -17.573 1.00 1.00 H new ATOM 345 N CYS A 23 -34.831 15.292 -17.308 1.00 1.00 N ATOM 346 CA CYS A 23 -35.473 14.391 -18.250 1.00 1.00 C ATOM 347 C CYS A 23 -36.353 13.401 -17.484 1.00 1.00 C ATOM 348 O CYS A 23 -36.762 13.724 -16.359 1.00 1.00 O ATOM 349 CB CYS A 23 -34.438 13.677 -19.123 1.00 1.00 C ATOM 350 SG CYS A 23 -34.752 13.776 -20.910 1.00 1.00 S ATOM 0 H CYS A 23 -34.849 14.969 -16.341 1.00 1.00 H new ATOM 0 HA CYS A 23 -36.106 14.967 -18.925 1.00 1.00 H new ATOM 0 HB2 CYS A 23 -33.455 14.100 -18.917 1.00 1.00 H new ATOM 0 HB3 CYS A 23 -34.400 12.627 -18.832 1.00 1.00 H new ATOM 0 HG CYS A 23 -33.816 13.141 -21.551 1.00 1.00 H new ATOM 356 N ARG A 24 -36.624 12.236 -18.098 1.00 1.00 N ATOM 357 CA ARG A 24 -37.448 11.212 -17.478 1.00 1.00 C ATOM 358 C ARG A 24 -36.977 9.833 -17.944 1.00 1.00 C ATOM 359 O ARG A 24 -36.902 8.921 -17.107 1.00 1.00 O ATOM 360 CB ARG A 24 -38.925 11.385 -17.835 1.00 1.00 C ATOM 361 CG ARG A 24 -39.093 11.779 -19.304 1.00 1.00 C ATOM 362 CD ARG A 24 -39.832 10.689 -20.082 1.00 1.00 C ATOM 363 NE ARG A 24 -40.347 11.238 -21.356 1.00 1.00 N ATOM 364 CZ ARG A 24 -41.409 12.067 -21.449 1.00 1.00 C ATOM 365 NH1 ARG A 24 -42.050 12.429 -20.330 1.00 1.00 N ATOM 366 NH2 ARG A 24 -41.814 12.522 -22.643 1.00 1.00 N ATOM 0 H ARG A 24 -36.278 11.990 -19.026 1.00 1.00 H new ATOM 0 HA ARG A 24 -37.346 11.306 -16.397 1.00 1.00 H new ATOM 0 HB2 ARG A 24 -39.461 10.456 -17.641 1.00 1.00 H new ATOM 0 HB3 ARG A 24 -39.370 12.149 -17.197 1.00 1.00 H new ATOM 0 HG2 ARG A 24 -39.644 12.717 -19.372 1.00 1.00 H new ATOM 0 HG3 ARG A 24 -38.115 11.951 -19.752 1.00 1.00 H new ATOM 0 HD2 ARG A 24 -39.160 9.854 -20.281 1.00 1.00 H new ATOM 0 HD3 ARG A 24 -40.656 10.299 -19.485 1.00 1.00 H new ATOM 0 HE ARG A 24 -39.870 10.974 -22.218 1.00 1.00 H new ATOM 0 HH11 ARG A 24 -41.734 12.079 -19.425 1.00 1.00 H new ATOM 0 HH12 ARG A 24 -42.854 13.055 -20.382 1.00 1.00 H new ATOM 0 HH21 ARG A 24 -41.319 12.242 -23.490 1.00 1.00 H new ATOM 0 HH22 ARG A 24 -42.617 13.148 -22.705 1.00 1.00 H new ATOM 380 N GLY A 25 -36.672 9.709 -19.249 1.00 1.00 N ATOM 381 CA GLY A 25 -36.213 8.453 -19.816 1.00 1.00 C ATOM 382 C GLY A 25 -35.379 7.703 -18.776 1.00 1.00 C ATOM 383 O GLY A 25 -34.157 7.909 -18.741 1.00 1.00 O ATOM 0 H GLY A 25 -36.739 10.472 -19.922 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -37.065 7.846 -20.122 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -35.618 8.640 -20.710 1.00 1.00 H new ATOM 387 N TYR A 26 -36.043 6.861 -17.964 1.00 1.00 N ATOM 388 CA TYR A 26 -35.309 6.122 -16.952 1.00 1.00 C ATOM 389 C TYR A 26 -34.659 4.894 -17.594 1.00 1.00 C ATOM 390 O TYR A 26 -35.258 4.338 -18.525 1.00 1.00 O ATOM 391 CB TYR A 26 -36.255 5.734 -15.800 1.00 1.00 C ATOM 392 CG TYR A 26 -36.888 6.915 -15.078 1.00 1.00 C ATOM 393 CD1 TYR A 26 -36.215 8.157 -15.030 1.00 1.00 C ATOM 394 CD2 TYR A 26 -38.151 6.780 -14.457 1.00 1.00 C ATOM 395 CE1 TYR A 26 -36.799 9.256 -14.364 1.00 1.00 C ATOM 396 CE2 TYR A 26 -38.736 7.879 -13.792 1.00 1.00 C ATOM 397 CZ TYR A 26 -38.060 9.118 -13.744 1.00 1.00 C ATOM 398 OH TYR A 26 -38.621 10.183 -13.099 1.00 1.00 O ATOM 0 H TYR A 26 -37.048 6.687 -17.993 1.00 1.00 H new ATOM 0 HA TYR A 26 -34.518 6.743 -16.532 1.00 1.00 H new ATOM 0 HB2 TYR A 26 -37.048 5.099 -16.196 1.00 1.00 H new ATOM 0 HB3 TYR A 26 -35.700 5.137 -15.076 1.00 1.00 H new ATOM 0 HD1 TYR A 26 -35.251 8.265 -15.504 1.00 1.00 H new ATOM 0 HD2 TYR A 26 -38.670 5.833 -14.492 1.00 1.00 H new ATOM 0 HE1 TYR A 26 -36.281 10.203 -14.329 1.00 1.00 H new ATOM 0 HE2 TYR A 26 -39.701 7.772 -13.320 1.00 1.00 H new ATOM 0 HH TYR A 26 -39.489 9.921 -12.728 1.00 1.00 H new ATOM 408 N ILE A 27 -33.468 4.508 -17.103 1.00 1.00 N ATOM 409 CA ILE A 27 -32.749 3.365 -17.638 1.00 1.00 C ATOM 410 C ILE A 27 -31.993 2.667 -16.505 1.00 1.00 C ATOM 411 O ILE A 27 -31.010 1.969 -16.794 1.00 1.00 O ATOM 412 CB ILE A 27 -31.853 3.792 -18.803 1.00 1.00 C ATOM 413 CG1 ILE A 27 -32.560 4.820 -19.689 1.00 1.00 C ATOM 414 CG2 ILE A 27 -31.375 2.578 -19.601 1.00 1.00 C ATOM 415 CD1 ILE A 27 -31.601 5.392 -20.736 1.00 1.00 C ATOM 0 H ILE A 27 -32.992 4.980 -16.334 1.00 1.00 H new ATOM 0 HA ILE A 27 -33.446 2.637 -18.053 1.00 1.00 H new ATOM 0 HB ILE A 27 -30.966 4.276 -18.393 1.00 1.00 H new ATOM 0 HG12 ILE A 27 -33.411 4.354 -20.186 1.00 1.00 H new ATOM 0 HG13 ILE A 27 -32.955 5.627 -19.072 1.00 1.00 H new ATOM 0 HG21 ILE A 27 -30.740 2.910 -20.423 1.00 1.00 H new ATOM 0 HG22 ILE A 27 -30.807 1.915 -18.949 1.00 1.00 H new ATOM 0 HG23 ILE A 27 -32.237 2.043 -20.001 1.00 1.00 H new ATOM 0 HD11 ILE A 27 -32.128 6.120 -21.353 1.00 1.00 H new ATOM 0 HD12 ILE A 27 -30.764 5.879 -20.235 1.00 1.00 H new ATOM 0 HD13 ILE A 27 -31.227 4.585 -21.366 1.00 1.00 H new ATOM 427 N THR A 28 -32.459 2.866 -15.259 1.00 1.00 N ATOM 428 CA THR A 28 -31.831 2.260 -14.097 1.00 1.00 C ATOM 429 C THR A 28 -30.312 2.395 -14.215 1.00 1.00 C ATOM 430 O THR A 28 -29.658 1.405 -14.577 1.00 1.00 O ATOM 431 CB THR A 28 -32.306 0.810 -13.986 1.00 1.00 C ATOM 432 OG1 THR A 28 -33.711 0.920 -13.777 1.00 1.00 O ATOM 433 CG2 THR A 28 -31.794 0.121 -12.719 1.00 1.00 C ATOM 0 H THR A 28 -33.271 3.445 -15.043 1.00 1.00 H new ATOM 0 HA THR A 28 -32.118 2.767 -13.176 1.00 1.00 H new ATOM 0 HB THR A 28 -31.975 0.252 -14.862 1.00 1.00 H new ATOM 0 HG1 THR A 28 -34.101 0.025 -13.696 1.00 1.00 H new ATOM 0 HG21 THR A 28 -32.160 -0.905 -12.690 1.00 1.00 H new ATOM 0 HG22 THR A 28 -30.704 0.117 -12.722 1.00 1.00 H new ATOM 0 HG23 THR A 28 -32.153 0.659 -11.842 1.00 1.00 H new ATOM 441 N ARG A 29 -29.788 3.596 -13.913 1.00 1.00 N ATOM 442 CA ARG A 29 -28.360 3.854 -13.985 1.00 1.00 C ATOM 443 C ARG A 29 -27.766 3.806 -12.576 1.00 1.00 C ATOM 444 O ARG A 29 -28.540 3.842 -11.608 1.00 1.00 O ATOM 445 CB ARG A 29 -28.064 5.219 -14.610 1.00 1.00 C ATOM 446 CG ARG A 29 -28.529 5.267 -16.067 1.00 1.00 C ATOM 447 CD ARG A 29 -27.864 4.163 -16.891 1.00 1.00 C ATOM 448 NE ARG A 29 -28.297 4.255 -18.303 1.00 1.00 N ATOM 449 CZ ARG A 29 -27.699 5.034 -19.230 1.00 1.00 C ATOM 450 NH1 ARG A 29 -26.644 5.778 -18.870 1.00 1.00 N ATOM 451 NH2 ARG A 29 -28.153 5.062 -20.490 1.00 1.00 N ATOM 0 H ARG A 29 -30.344 4.398 -13.617 1.00 1.00 H new ATOM 0 HA ARG A 29 -27.910 3.087 -14.616 1.00 1.00 H new ATOM 0 HB2 ARG A 29 -28.565 6.001 -14.039 1.00 1.00 H new ATOM 0 HB3 ARG A 29 -26.994 5.422 -14.559 1.00 1.00 H new ATOM 0 HG2 ARG A 29 -29.612 5.156 -16.111 1.00 1.00 H new ATOM 0 HG3 ARG A 29 -28.291 6.240 -16.497 1.00 1.00 H new ATOM 0 HD2 ARG A 29 -26.780 4.254 -16.828 1.00 1.00 H new ATOM 0 HD3 ARG A 29 -28.126 3.186 -16.484 1.00 1.00 H new ATOM 0 HE ARG A 29 -29.098 3.695 -18.595 1.00 1.00 H new ATOM 0 HH11 ARG A 29 -26.305 5.750 -17.909 1.00 1.00 H new ATOM 0 HH12 ARG A 29 -26.180 6.372 -19.558 1.00 1.00 H new ATOM 0 HH21 ARG A 29 -28.956 4.492 -20.755 1.00 1.00 H new ATOM 0 HH22 ARG A 29 -27.695 5.653 -21.184 1.00 1.00 H new ATOM 465 N TYR A 30 -26.426 3.728 -12.489 1.00 1.00 N ATOM 466 CA TYR A 30 -25.800 3.675 -11.179 1.00 1.00 C ATOM 467 C TYR A 30 -24.855 4.868 -11.021 1.00 1.00 C ATOM 468 O TYR A 30 -24.526 5.489 -12.042 1.00 1.00 O ATOM 469 CB TYR A 30 -25.063 2.334 -11.007 1.00 1.00 C ATOM 470 CG TYR A 30 -25.941 1.103 -11.186 1.00 1.00 C ATOM 471 CD1 TYR A 30 -26.503 0.803 -12.448 1.00 1.00 C ATOM 472 CD2 TYR A 30 -26.205 0.256 -10.085 1.00 1.00 C ATOM 473 CE1 TYR A 30 -27.319 -0.337 -12.609 1.00 1.00 C ATOM 474 CE2 TYR A 30 -27.020 -0.884 -10.246 1.00 1.00 C ATOM 475 CZ TYR A 30 -27.578 -1.182 -11.507 1.00 1.00 C ATOM 476 OH TYR A 30 -28.367 -2.287 -11.659 1.00 1.00 O ATOM 0 H TYR A 30 -25.786 3.702 -13.283 1.00 1.00 H new ATOM 0 HA TYR A 30 -26.557 3.737 -10.397 1.00 1.00 H new ATOM 0 HB2 TYR A 30 -24.245 2.289 -11.726 1.00 1.00 H new ATOM 0 HB3 TYR A 30 -24.616 2.304 -10.013 1.00 1.00 H new ATOM 0 HD1 TYR A 30 -26.307 1.448 -13.292 1.00 1.00 H new ATOM 0 HD2 TYR A 30 -25.781 0.483 -9.118 1.00 1.00 H new ATOM 0 HE1 TYR A 30 -27.746 -0.563 -13.575 1.00 1.00 H new ATOM 0 HE2 TYR A 30 -27.217 -1.530 -9.403 1.00 1.00 H new ATOM 0 HH TYR A 30 -28.170 -2.930 -10.946 1.00 1.00 H new ATOM 486 N PHE A 31 -24.454 5.167 -9.773 1.00 1.00 N ATOM 487 CA PHE A 31 -23.566 6.284 -9.497 1.00 1.00 C ATOM 488 C PHE A 31 -22.881 6.063 -8.147 1.00 1.00 C ATOM 489 O PHE A 31 -23.520 5.499 -7.246 1.00 1.00 O ATOM 490 CB PHE A 31 -24.383 7.591 -9.488 1.00 1.00 C ATOM 491 CG PHE A 31 -25.202 7.820 -8.226 1.00 1.00 C ATOM 492 CD1 PHE A 31 -26.308 6.987 -7.938 1.00 1.00 C ATOM 493 CD2 PHE A 31 -24.860 8.860 -7.330 1.00 1.00 C ATOM 494 CE1 PHE A 31 -27.067 7.194 -6.767 1.00 1.00 C ATOM 495 CE2 PHE A 31 -25.619 9.066 -6.158 1.00 1.00 C ATOM 496 CZ PHE A 31 -26.723 8.233 -5.877 1.00 1.00 C ATOM 0 H PHE A 31 -24.738 4.643 -8.945 1.00 1.00 H new ATOM 0 HA PHE A 31 -22.800 6.356 -10.269 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -23.701 8.431 -9.619 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -25.055 7.589 -10.346 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -26.572 6.190 -8.617 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -24.015 9.498 -7.543 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -27.912 6.557 -6.552 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -25.355 9.861 -5.476 1.00 1.00 H new ATOM 0 HZ PHE A 31 -27.304 8.391 -4.981 1.00 1.00 H new ATOM 506 N TYR A 32 -21.615 6.505 -8.034 1.00 1.00 N ATOM 507 CA TYR A 32 -20.907 6.322 -6.779 1.00 1.00 C ATOM 508 C TYR A 32 -21.403 7.353 -5.763 1.00 1.00 C ATOM 509 O TYR A 32 -20.864 8.470 -5.757 1.00 1.00 O ATOM 510 CB TYR A 32 -19.390 6.432 -7.015 1.00 1.00 C ATOM 511 CG TYR A 32 -18.533 5.964 -5.847 1.00 1.00 C ATOM 512 CD1 TYR A 32 -18.189 6.869 -4.816 1.00 1.00 C ATOM 513 CD2 TYR A 32 -18.083 4.626 -5.781 1.00 1.00 C ATOM 514 CE1 TYR A 32 -17.397 6.439 -3.729 1.00 1.00 C ATOM 515 CE2 TYR A 32 -17.292 4.196 -4.694 1.00 1.00 C ATOM 516 CZ TYR A 32 -16.948 5.103 -3.667 1.00 1.00 C ATOM 517 OH TYR A 32 -16.181 4.691 -2.615 1.00 1.00 O ATOM 0 H TYR A 32 -21.088 6.972 -8.772 1.00 1.00 H new ATOM 0 HA TYR A 32 -21.105 5.329 -6.376 1.00 1.00 H new ATOM 0 HB2 TYR A 32 -19.129 5.848 -7.897 1.00 1.00 H new ATOM 0 HB3 TYR A 32 -19.144 7.471 -7.236 1.00 1.00 H new ATOM 0 HD1 TYR A 32 -18.533 7.892 -4.860 1.00 1.00 H new ATOM 0 HD2 TYR A 32 -18.345 3.930 -6.565 1.00 1.00 H new ATOM 0 HE1 TYR A 32 -17.135 7.133 -2.944 1.00 1.00 H new ATOM 0 HE2 TYR A 32 -16.949 3.173 -4.647 1.00 1.00 H new ATOM 0 HH TYR A 32 -16.748 4.247 -1.950 1.00 1.00 H new ATOM 527 N ASN A 33 -22.404 6.975 -4.949 1.00 1.00 N ATOM 528 CA ASN A 33 -22.965 7.871 -3.952 1.00 1.00 C ATOM 529 C ASN A 33 -22.049 7.903 -2.727 1.00 1.00 C ATOM 530 O ASN A 33 -21.841 6.844 -2.118 1.00 1.00 O ATOM 531 CB ASN A 33 -24.346 7.392 -3.497 1.00 1.00 C ATOM 532 CG ASN A 33 -25.184 8.559 -2.970 1.00 1.00 C ATOM 533 OD1 ASN A 33 -24.756 9.701 -2.941 1.00 1.00 O ATOM 534 ND2 ASN A 33 -26.398 8.209 -2.556 1.00 1.00 N ATOM 0 H ASN A 33 -22.834 6.051 -4.971 1.00 1.00 H new ATOM 0 HA ASN A 33 -23.055 8.860 -4.400 1.00 1.00 H new ATOM 0 HB2 ASN A 33 -24.863 6.916 -4.330 1.00 1.00 H new ATOM 0 HB3 ASN A 33 -24.235 6.638 -2.718 1.00 1.00 H new ATOM 0 HD21 ASN A 33 -27.034 8.915 -2.186 1.00 1.00 H new ATOM 0 HD22 ASN A 33 -26.693 7.234 -2.608 1.00 1.00 H new ATOM 541 N ASN A 34 -21.527 9.098 -2.397 1.00 1.00 N ATOM 542 CA ASN A 34 -20.643 9.264 -1.256 1.00 1.00 C ATOM 543 C ASN A 34 -21.421 8.988 0.032 1.00 1.00 C ATOM 544 O ASN A 34 -20.799 8.567 1.018 1.00 1.00 O ATOM 545 CB ASN A 34 -20.098 10.692 -1.184 1.00 1.00 C ATOM 546 CG ASN A 34 -21.205 11.714 -1.450 1.00 1.00 C ATOM 547 OD1 ASN A 34 -21.535 12.030 -2.582 1.00 1.00 O ATOM 548 ND2 ASN A 34 -21.758 12.212 -0.348 1.00 1.00 N ATOM 0 H ASN A 34 -21.710 9.958 -2.913 1.00 1.00 H new ATOM 0 HA ASN A 34 -19.813 8.567 -1.369 1.00 1.00 H new ATOM 0 HB2 ASN A 34 -19.662 10.870 -0.201 1.00 1.00 H new ATOM 0 HB3 ASN A 34 -19.299 10.818 -1.914 1.00 1.00 H new ATOM 0 HD21 ASN A 34 -22.506 12.902 -0.420 1.00 1.00 H new ATOM 0 HD22 ASN A 34 -21.434 11.904 0.569 1.00 1.00 H new ATOM 555 N GLN A 35 -22.744 9.228 -0.001 1.00 1.00 N ATOM 556 CA GLN A 35 -23.596 9.007 1.155 1.00 1.00 C ATOM 557 C GLN A 35 -23.244 7.662 1.793 1.00 1.00 C ATOM 558 O GLN A 35 -23.114 7.609 3.024 1.00 1.00 O ATOM 559 CB GLN A 35 -25.078 9.066 0.780 1.00 1.00 C ATOM 560 CG GLN A 35 -25.902 9.704 1.901 1.00 1.00 C ATOM 561 CD GLN A 35 -26.064 11.208 1.673 1.00 1.00 C ATOM 562 OE1 GLN A 35 -25.656 12.031 2.476 1.00 1.00 O ATOM 563 NE2 GLN A 35 -26.682 11.520 0.538 1.00 1.00 N ATOM 0 H GLN A 35 -23.237 9.576 -0.824 1.00 1.00 H new ATOM 0 HA GLN A 35 -23.420 9.804 1.877 1.00 1.00 H new ATOM 0 HB2 GLN A 35 -25.202 9.639 -0.139 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -25.447 8.060 0.580 1.00 1.00 H new ATOM 0 HG2 GLN A 35 -26.883 9.232 1.950 1.00 1.00 H new ATOM 0 HG3 GLN A 35 -25.415 9.528 2.860 1.00 1.00 H new ATOM 0 HE21 GLN A 35 -26.998 10.781 -0.090 1.00 1.00 H new ATOM 0 HE22 GLN A 35 -26.840 12.498 0.295 1.00 1.00 H new ATOM 572 N THR A 36 -23.101 6.618 0.956 1.00 1.00 N ATOM 573 CA THR A 36 -22.768 5.287 1.436 1.00 1.00 C ATOM 574 C THR A 36 -21.345 4.934 0.998 1.00 1.00 C ATOM 575 O THR A 36 -20.828 3.901 1.450 1.00 1.00 O ATOM 576 CB THR A 36 -23.823 4.305 0.923 1.00 1.00 C ATOM 577 OG1 THR A 36 -23.676 4.346 -0.494 1.00 1.00 O ATOM 578 CG2 THR A 36 -25.250 4.801 1.164 1.00 1.00 C ATOM 0 H THR A 36 -23.213 6.683 -0.056 1.00 1.00 H new ATOM 0 HA THR A 36 -22.781 5.238 2.525 1.00 1.00 H new ATOM 0 HB THR A 36 -23.687 3.339 1.410 1.00 1.00 H new ATOM 0 HG1 THR A 36 -23.447 3.452 -0.825 1.00 1.00 H new ATOM 0 HG21 THR A 36 -25.960 4.067 0.781 1.00 1.00 H new ATOM 0 HG22 THR A 36 -25.412 4.939 2.233 1.00 1.00 H new ATOM 0 HG23 THR A 36 -25.397 5.751 0.649 1.00 1.00 H new ATOM 586 N LYS A 37 -20.750 5.783 0.142 1.00 1.00 N ATOM 587 CA LYS A 37 -19.401 5.561 -0.350 1.00 1.00 C ATOM 588 C LYS A 37 -19.385 4.315 -1.237 1.00 1.00 C ATOM 589 O LYS A 37 -18.450 3.510 -1.108 1.00 1.00 O ATOM 590 CB LYS A 37 -18.410 5.500 0.814 1.00 1.00 C ATOM 591 CG LYS A 37 -18.096 6.901 1.341 1.00 1.00 C ATOM 592 CD LYS A 37 -18.152 6.938 2.870 1.00 1.00 C ATOM 593 CE LYS A 37 -16.873 6.360 3.479 1.00 1.00 C ATOM 594 NZ LYS A 37 -16.341 5.279 2.632 1.00 1.00 N ATOM 0 H LYS A 37 -21.193 6.628 -0.218 1.00 1.00 H new ATOM 0 HA LYS A 37 -19.079 6.398 -0.970 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -18.824 4.890 1.617 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -17.490 5.016 0.488 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -17.106 7.207 1.002 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -18.809 7.616 0.930 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -18.288 7.965 3.208 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -19.014 6.371 3.220 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -16.126 7.147 3.586 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -17.080 5.978 4.479 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -15.555 4.808 3.123 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -17.093 4.587 2.439 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -15.999 5.678 1.734 1.00 1.00 H new ATOM 608 N GLN A 38 -20.402 4.181 -2.107 1.00 1.00 N ATOM 609 CA GLN A 38 -20.503 3.043 -3.005 1.00 1.00 C ATOM 610 C GLN A 38 -21.424 3.402 -4.173 1.00 1.00 C ATOM 611 O GLN A 38 -21.976 4.511 -4.170 1.00 1.00 O ATOM 612 CB GLN A 38 -21.004 1.795 -2.276 1.00 1.00 C ATOM 613 CG GLN A 38 -19.973 0.666 -2.351 1.00 1.00 C ATOM 614 CD GLN A 38 -20.632 -0.695 -2.117 1.00 1.00 C ATOM 615 OE1 GLN A 38 -21.449 -1.160 -2.895 1.00 1.00 O ATOM 616 NE2 GLN A 38 -20.234 -1.304 -1.004 1.00 1.00 N ATOM 0 H GLN A 38 -21.162 4.855 -2.198 1.00 1.00 H new ATOM 0 HA GLN A 38 -19.509 2.810 -3.388 1.00 1.00 H new ATOM 0 HB2 GLN A 38 -21.209 2.036 -1.233 1.00 1.00 H new ATOM 0 HB3 GLN A 38 -21.944 1.464 -2.718 1.00 1.00 H new ATOM 0 HG2 GLN A 38 -19.488 0.676 -3.327 1.00 1.00 H new ATOM 0 HG3 GLN A 38 -19.194 0.830 -1.606 1.00 1.00 H new ATOM 0 HE21 GLN A 38 -19.546 -0.858 -0.397 1.00 1.00 H new ATOM 0 HE22 GLN A 38 -20.616 -2.217 -0.757 1.00 1.00 H new ATOM 625 N CYS A 39 -21.569 2.471 -5.134 1.00 1.00 N ATOM 626 CA CYS A 39 -22.414 2.688 -6.295 1.00 1.00 C ATOM 627 C CYS A 39 -23.870 2.399 -5.922 1.00 1.00 C ATOM 628 O CYS A 39 -24.160 1.264 -5.518 1.00 1.00 O ATOM 629 CB CYS A 39 -21.950 1.841 -7.482 1.00 1.00 C ATOM 630 SG CYS A 39 -20.409 2.403 -8.263 1.00 1.00 S ATOM 0 H CYS A 39 -21.105 1.563 -5.118 1.00 1.00 H new ATOM 0 HA CYS A 39 -22.337 3.729 -6.607 1.00 1.00 H new ATOM 0 HB2 CYS A 39 -21.817 0.813 -7.146 1.00 1.00 H new ATOM 0 HB3 CYS A 39 -22.739 1.831 -8.234 1.00 1.00 H new ATOM 636 N GLU A 40 -24.740 3.414 -6.062 1.00 1.00 N ATOM 637 CA GLU A 40 -26.150 3.270 -5.742 1.00 1.00 C ATOM 638 C GLU A 40 -26.975 3.384 -7.025 1.00 1.00 C ATOM 639 O GLU A 40 -26.566 4.135 -7.923 1.00 1.00 O ATOM 640 CB GLU A 40 -26.601 4.302 -4.707 1.00 1.00 C ATOM 641 CG GLU A 40 -26.400 3.777 -3.284 1.00 1.00 C ATOM 642 CD GLU A 40 -25.358 4.609 -2.534 1.00 1.00 C ATOM 643 OE1 GLU A 40 -24.133 4.371 -2.859 1.00 1.00 O ATOM 644 OE2 GLU A 40 -25.720 5.437 -1.684 1.00 1.00 O ATOM 0 H GLU A 40 -24.479 4.342 -6.397 1.00 1.00 H new ATOM 0 HA GLU A 40 -26.308 2.287 -5.299 1.00 1.00 H new ATOM 0 HB2 GLU A 40 -26.038 5.226 -4.840 1.00 1.00 H new ATOM 0 HB3 GLU A 40 -27.652 4.544 -4.864 1.00 1.00 H new ATOM 0 HG2 GLU A 40 -27.347 3.803 -2.746 1.00 1.00 H new ATOM 0 HG3 GLU A 40 -26.082 2.735 -3.319 1.00 1.00 H new ATOM 651 N ARG A 41 -28.100 2.650 -7.086 1.00 1.00 N ATOM 652 CA ARG A 41 -28.971 2.671 -8.249 1.00 1.00 C ATOM 653 C ARG A 41 -29.819 3.944 -8.224 1.00 1.00 C ATOM 654 O ARG A 41 -30.452 4.211 -7.192 1.00 1.00 O ATOM 655 CB ARG A 41 -29.895 1.451 -8.283 1.00 1.00 C ATOM 656 CG ARG A 41 -29.533 0.521 -9.443 1.00 1.00 C ATOM 657 CD ARG A 41 -29.607 -0.945 -9.013 1.00 1.00 C ATOM 658 NE ARG A 41 -28.795 -1.157 -7.794 1.00 1.00 N ATOM 659 CZ ARG A 41 -28.797 -2.298 -7.072 1.00 1.00 C ATOM 660 NH1 ARG A 41 -29.575 -3.315 -7.466 1.00 1.00 N ATOM 661 NH2 ARG A 41 -28.032 -2.411 -5.978 1.00 1.00 N ATOM 0 H ARG A 41 -28.418 2.037 -6.336 1.00 1.00 H new ATOM 0 HA ARG A 41 -28.344 2.648 -9.140 1.00 1.00 H new ATOM 0 HB2 ARG A 41 -29.821 0.908 -7.341 1.00 1.00 H new ATOM 0 HB3 ARG A 41 -30.930 1.777 -8.383 1.00 1.00 H new ATOM 0 HG2 ARG A 41 -30.212 0.694 -10.278 1.00 1.00 H new ATOM 0 HG3 ARG A 41 -28.528 0.750 -9.797 1.00 1.00 H new ATOM 0 HD2 ARG A 41 -30.643 -1.225 -8.823 1.00 1.00 H new ATOM 0 HD3 ARG A 41 -29.246 -1.587 -9.817 1.00 1.00 H new ATOM 0 HE ARG A 41 -28.196 -0.393 -7.480 1.00 1.00 H new ATOM 0 HH11 ARG A 41 -30.154 -3.221 -8.300 1.00 1.00 H new ATOM 0 HH12 ARG A 41 -29.588 -4.184 -6.932 1.00 1.00 H new ATOM 0 HH21 ARG A 41 -27.443 -1.632 -5.685 1.00 1.00 H new ATOM 0 HH22 ARG A 41 -28.039 -3.276 -5.438 1.00 1.00 H new ATOM 675 N PHE A 42 -29.815 4.692 -9.342 1.00 1.00 N ATOM 676 CA PHE A 42 -30.579 5.923 -9.447 1.00 1.00 C ATOM 677 C PHE A 42 -31.120 6.063 -10.871 1.00 1.00 C ATOM 678 O PHE A 42 -30.559 5.433 -11.780 1.00 1.00 O ATOM 679 CB PHE A 42 -29.671 7.115 -9.087 1.00 1.00 C ATOM 680 CG PHE A 42 -28.861 7.670 -10.251 1.00 1.00 C ATOM 681 CD1 PHE A 42 -27.763 6.940 -10.762 1.00 1.00 C ATOM 682 CD2 PHE A 42 -29.203 8.913 -10.832 1.00 1.00 C ATOM 683 CE1 PHE A 42 -27.013 7.450 -11.843 1.00 1.00 C ATOM 684 CE2 PHE A 42 -28.452 9.422 -11.913 1.00 1.00 C ATOM 685 CZ PHE A 42 -27.357 8.691 -12.419 1.00 1.00 C ATOM 0 H PHE A 42 -29.286 4.455 -10.181 1.00 1.00 H new ATOM 0 HA PHE A 42 -31.421 5.904 -8.756 1.00 1.00 H new ATOM 0 HB2 PHE A 42 -30.289 7.914 -8.678 1.00 1.00 H new ATOM 0 HB3 PHE A 42 -28.985 6.807 -8.298 1.00 1.00 H new ATOM 0 HD1 PHE A 42 -27.498 5.989 -10.324 1.00 1.00 H new ATOM 0 HD2 PHE A 42 -30.041 9.475 -10.447 1.00 1.00 H new ATOM 0 HE1 PHE A 42 -26.175 6.890 -12.230 1.00 1.00 H new ATOM 0 HE2 PHE A 42 -28.716 10.372 -12.353 1.00 1.00 H new ATOM 0 HZ PHE A 42 -26.783 9.081 -13.246 1.00 1.00 H new ATOM 695 N LYS A 43 -32.182 6.873 -11.035 1.00 1.00 N ATOM 696 CA LYS A 43 -32.790 7.091 -12.336 1.00 1.00 C ATOM 697 C LYS A 43 -31.886 7.999 -13.172 1.00 1.00 C ATOM 698 O LYS A 43 -31.026 8.674 -12.587 1.00 1.00 O ATOM 699 CB LYS A 43 -34.216 7.622 -12.178 1.00 1.00 C ATOM 700 CG LYS A 43 -35.240 6.600 -12.677 1.00 1.00 C ATOM 701 CD LYS A 43 -35.410 5.458 -11.672 1.00 1.00 C ATOM 702 CE LYS A 43 -36.335 5.871 -10.525 1.00 1.00 C ATOM 703 NZ LYS A 43 -36.550 4.742 -9.605 1.00 1.00 N ATOM 0 H LYS A 43 -32.629 7.383 -10.273 1.00 1.00 H new ATOM 0 HA LYS A 43 -32.882 6.148 -12.876 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -34.408 7.853 -11.130 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -34.325 8.553 -12.734 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -36.199 7.091 -12.840 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -34.920 6.198 -13.638 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -35.819 4.583 -12.176 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -34.437 5.171 -11.274 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -35.900 6.711 -9.984 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -37.291 6.210 -10.925 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -37.180 5.039 -8.832 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -36.985 3.951 -10.122 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -35.637 4.437 -9.210 1.00 1.00 H new ATOM 717 N TYR A 44 -32.093 7.998 -14.501 1.00 1.00 N ATOM 718 CA TYR A 44 -31.264 8.835 -15.351 1.00 1.00 C ATOM 719 C TYR A 44 -32.153 9.824 -16.108 1.00 1.00 C ATOM 720 O TYR A 44 -32.637 10.774 -15.475 1.00 1.00 O ATOM 721 CB TYR A 44 -30.442 7.953 -16.309 1.00 1.00 C ATOM 722 CG TYR A 44 -29.633 8.727 -17.341 1.00 1.00 C ATOM 723 CD1 TYR A 44 -29.522 10.133 -17.243 1.00 1.00 C ATOM 724 CD2 TYR A 44 -28.984 8.047 -18.397 1.00 1.00 C ATOM 725 CE1 TYR A 44 -28.772 10.854 -18.196 1.00 1.00 C ATOM 726 CE2 TYR A 44 -28.233 8.768 -19.350 1.00 1.00 C ATOM 727 CZ TYR A 44 -28.126 10.173 -19.250 1.00 1.00 C ATOM 728 OH TYR A 44 -27.402 10.875 -20.171 1.00 1.00 O ATOM 0 H TYR A 44 -32.801 7.446 -14.985 1.00 1.00 H new ATOM 0 HA TYR A 44 -30.561 9.407 -14.746 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -29.762 7.336 -15.722 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -31.119 7.275 -16.830 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -30.013 10.657 -16.436 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -29.063 6.973 -18.475 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -28.692 11.928 -18.119 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -27.740 8.245 -20.156 1.00 1.00 H new ATOM 0 HH TYR A 44 -27.021 10.256 -20.829 1.00 1.00 H new ATOM 789 N ASN A 50 -24.985 14.486 -15.780 1.00 1.00 N ATOM 790 CA ASN A 50 -23.643 14.629 -15.241 1.00 1.00 C ATOM 791 C ASN A 50 -22.775 13.468 -15.733 1.00 1.00 C ATOM 792 O ASN A 50 -23.118 12.871 -16.763 1.00 1.00 O ATOM 793 CB ASN A 50 -23.657 14.594 -13.711 1.00 1.00 C ATOM 794 CG ASN A 50 -23.916 13.176 -13.198 1.00 1.00 C ATOM 795 OD1 ASN A 50 -24.174 12.252 -13.952 1.00 1.00 O ATOM 796 ND2 ASN A 50 -23.835 13.057 -11.876 1.00 1.00 N ATOM 0 HA ASN A 50 -23.245 15.587 -15.576 1.00 1.00 H new ATOM 0 HB2 ASN A 50 -22.703 14.955 -13.327 1.00 1.00 H new ATOM 0 HB3 ASN A 50 -24.428 15.267 -13.335 1.00 1.00 H new ATOM 0 HD21 ASN A 50 -23.993 12.151 -11.435 1.00 1.00 H new ATOM 0 HD22 ASN A 50 -23.615 13.872 -11.303 1.00 1.00 H new ATOM 803 N MET A 51 -21.686 13.178 -14.998 1.00 1.00 N ATOM 804 CA MET A 51 -20.781 12.100 -15.358 1.00 1.00 C ATOM 805 C MET A 51 -21.096 10.869 -14.505 1.00 1.00 C ATOM 806 O MET A 51 -21.137 9.762 -15.060 1.00 1.00 O ATOM 807 CB MET A 51 -19.330 12.524 -15.125 1.00 1.00 C ATOM 808 CG MET A 51 -19.211 14.047 -15.039 1.00 1.00 C ATOM 809 SD MET A 51 -17.489 14.554 -15.322 1.00 1.00 S ATOM 810 CE MET A 51 -17.327 14.149 -17.086 1.00 1.00 C ATOM 0 H MET A 51 -21.421 13.683 -14.152 1.00 1.00 H new ATOM 0 HA MET A 51 -20.913 11.863 -16.414 1.00 1.00 H new ATOM 0 HB2 MET A 51 -18.959 12.074 -14.204 1.00 1.00 H new ATOM 0 HB3 MET A 51 -18.704 12.152 -15.936 1.00 1.00 H new ATOM 0 HG2 MET A 51 -19.862 14.513 -15.779 1.00 1.00 H new ATOM 0 HG3 MET A 51 -19.544 14.391 -14.060 1.00 1.00 H new ATOM 0 HE1 MET A 51 -16.599 14.816 -17.547 1.00 1.00 H new ATOM 0 HE2 MET A 51 -16.993 13.117 -17.193 1.00 1.00 H new ATOM 0 HE3 MET A 51 -18.292 14.271 -17.577 1.00 1.00 H new ATOM 820 N ASN A 52 -21.308 11.083 -13.194 1.00 1.00 N ATOM 821 CA ASN A 52 -21.616 10.000 -12.276 1.00 1.00 C ATOM 822 C ASN A 52 -22.971 9.393 -12.646 1.00 1.00 C ATOM 823 O ASN A 52 -23.903 9.494 -11.836 1.00 1.00 O ATOM 824 CB ASN A 52 -21.703 10.506 -10.835 1.00 1.00 C ATOM 825 CG ASN A 52 -21.387 9.386 -9.841 1.00 1.00 C ATOM 826 OD1 ASN A 52 -20.706 8.422 -10.148 1.00 1.00 O ATOM 827 ND2 ASN A 52 -21.920 9.567 -8.636 1.00 1.00 N ATOM 0 H ASN A 52 -21.269 12.004 -12.757 1.00 1.00 H new ATOM 0 HA ASN A 52 -20.820 9.259 -12.350 1.00 1.00 H new ATOM 0 HB2 ASN A 52 -21.005 11.331 -10.693 1.00 1.00 H new ATOM 0 HB3 ASN A 52 -22.702 10.897 -10.643 1.00 1.00 H new ATOM 0 HD21 ASN A 52 -21.768 8.875 -7.902 1.00 1.00 H new ATOM 0 HD22 ASN A 52 -22.481 10.398 -8.446 1.00 1.00 H new ATOM 834 N ASN A 53 -23.051 8.785 -13.844 1.00 1.00 N ATOM 835 CA ASN A 53 -24.280 8.169 -14.313 1.00 1.00 C ATOM 836 C ASN A 53 -23.942 6.905 -15.107 1.00 1.00 C ATOM 837 O ASN A 53 -24.111 6.917 -16.335 1.00 1.00 O ATOM 838 CB ASN A 53 -25.052 9.114 -15.236 1.00 1.00 C ATOM 839 CG ASN A 53 -26.182 8.375 -15.957 1.00 1.00 C ATOM 840 OD1 ASN A 53 -27.156 7.946 -15.362 1.00 1.00 O ATOM 841 ND2 ASN A 53 -25.997 8.252 -17.268 1.00 1.00 N ATOM 0 H ASN A 53 -22.271 8.714 -14.497 1.00 1.00 H new ATOM 0 HA ASN A 53 -24.893 7.934 -13.443 1.00 1.00 H new ATOM 0 HB2 ASN A 53 -25.465 9.939 -14.655 1.00 1.00 H new ATOM 0 HB3 ASN A 53 -24.372 9.549 -15.968 1.00 1.00 H new ATOM 0 HD21 ASN A 53 -26.695 7.775 -17.839 1.00 1.00 H new ATOM 0 HD22 ASN A 53 -25.158 8.635 -17.703 1.00 1.00 H new ATOM 848 N PHE A 54 -23.478 5.858 -14.402 1.00 1.00 N ATOM 849 CA PHE A 54 -23.120 4.601 -15.037 1.00 1.00 C ATOM 850 C PHE A 54 -24.394 3.820 -15.367 1.00 1.00 C ATOM 851 O PHE A 54 -25.475 4.245 -14.933 1.00 1.00 O ATOM 852 CB PHE A 54 -22.215 3.792 -14.088 1.00 1.00 C ATOM 853 CG PHE A 54 -20.939 4.509 -13.664 1.00 1.00 C ATOM 854 CD1 PHE A 54 -20.935 5.347 -12.525 1.00 1.00 C ATOM 855 CD2 PHE A 54 -19.751 4.343 -14.413 1.00 1.00 C ATOM 856 CE1 PHE A 54 -19.753 6.013 -12.138 1.00 1.00 C ATOM 857 CE2 PHE A 54 -18.569 5.009 -14.025 1.00 1.00 C ATOM 858 CZ PHE A 54 -18.569 5.843 -12.887 1.00 1.00 C ATOM 0 H PHE A 54 -23.346 5.869 -13.391 1.00 1.00 H new ATOM 0 HA PHE A 54 -22.576 4.789 -15.963 1.00 1.00 H new ATOM 0 HB2 PHE A 54 -22.785 3.534 -13.195 1.00 1.00 H new ATOM 0 HB3 PHE A 54 -21.945 2.855 -14.575 1.00 1.00 H new ATOM 0 HD1 PHE A 54 -21.840 5.478 -11.950 1.00 1.00 H new ATOM 0 HD2 PHE A 54 -19.748 3.705 -15.284 1.00 1.00 H new ATOM 0 HE1 PHE A 54 -19.754 6.653 -11.268 1.00 1.00 H new ATOM 0 HE2 PHE A 54 -17.664 4.880 -14.600 1.00 1.00 H new ATOM 0 HZ PHE A 54 -17.664 6.351 -12.589 1.00 1.00 H new ATOM 868 N GLU A 55 -24.245 2.714 -16.117 1.00 1.00 N ATOM 869 CA GLU A 55 -25.376 1.885 -16.500 1.00 1.00 C ATOM 870 C GLU A 55 -25.404 0.632 -15.622 1.00 1.00 C ATOM 871 O GLU A 55 -26.500 0.227 -15.207 1.00 1.00 O ATOM 872 CB GLU A 55 -25.325 1.515 -17.983 1.00 1.00 C ATOM 873 CG GLU A 55 -25.128 2.758 -18.852 1.00 1.00 C ATOM 874 CD GLU A 55 -25.419 2.451 -20.323 1.00 1.00 C ATOM 875 OE1 GLU A 55 -24.902 1.356 -20.764 1.00 1.00 O ATOM 876 OE2 GLU A 55 -26.108 3.234 -20.995 1.00 1.00 O ATOM 0 H GLU A 55 -23.346 2.382 -16.465 1.00 1.00 H new ATOM 0 HA GLU A 55 -26.294 2.453 -16.347 1.00 1.00 H new ATOM 0 HB2 GLU A 55 -24.511 0.812 -18.158 1.00 1.00 H new ATOM 0 HB3 GLU A 55 -26.248 1.011 -18.268 1.00 1.00 H new ATOM 0 HG2 GLU A 55 -25.786 3.556 -18.506 1.00 1.00 H new ATOM 0 HG3 GLU A 55 -24.105 3.120 -18.748 1.00 1.00 H new ATOM 883 N THR A 56 -24.219 0.052 -15.362 1.00 1.00 N ATOM 884 CA THR A 56 -24.110 -1.143 -14.542 1.00 1.00 C ATOM 885 C THR A 56 -23.340 -0.809 -13.263 1.00 1.00 C ATOM 886 O THR A 56 -22.522 0.122 -13.292 1.00 1.00 O ATOM 887 CB THR A 56 -23.457 -2.248 -15.374 1.00 1.00 C ATOM 888 OG1 THR A 56 -22.610 -1.546 -16.281 1.00 1.00 O ATOM 889 CG2 THR A 56 -24.458 -2.968 -16.280 1.00 1.00 C ATOM 0 H THR A 56 -23.328 0.401 -15.714 1.00 1.00 H new ATOM 0 HA THR A 56 -25.089 -1.507 -14.231 1.00 1.00 H new ATOM 0 HB THR A 56 -22.984 -2.971 -14.709 1.00 1.00 H new ATOM 0 HG1 THR A 56 -22.146 -2.188 -16.858 1.00 1.00 H new ATOM 0 HG21 THR A 56 -23.943 -3.742 -16.848 1.00 1.00 H new ATOM 0 HG22 THR A 56 -25.238 -3.424 -15.670 1.00 1.00 H new ATOM 0 HG23 THR A 56 -24.907 -2.251 -16.968 1.00 1.00 H new ATOM 897 N LEU A 57 -23.611 -1.564 -12.183 1.00 1.00 N ATOM 898 CA LEU A 57 -22.948 -1.349 -10.908 1.00 1.00 C ATOM 899 C LEU A 57 -21.454 -1.643 -11.059 1.00 1.00 C ATOM 900 O LEU A 57 -20.643 -0.783 -10.684 1.00 1.00 O ATOM 901 CB LEU A 57 -23.627 -2.167 -9.807 1.00 1.00 C ATOM 902 CG LEU A 57 -23.228 -1.820 -8.371 1.00 1.00 C ATOM 903 CD1 LEU A 57 -24.063 -0.656 -7.835 1.00 1.00 C ATOM 904 CD2 LEU A 57 -23.313 -3.051 -7.466 1.00 1.00 C ATOM 0 H LEU A 57 -24.288 -2.327 -12.180 1.00 1.00 H new ATOM 0 HA LEU A 57 -23.039 -0.307 -10.602 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -24.706 -2.044 -9.903 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -23.410 -3.221 -9.979 1.00 1.00 H new ATOM 0 HG LEU A 57 -22.188 -1.494 -8.375 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -23.759 -0.430 -6.813 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -23.908 0.222 -8.462 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -25.118 -0.929 -7.848 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -23.024 -2.777 -6.451 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -24.335 -3.430 -7.463 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -22.640 -3.824 -7.839 1.00 1.00 H new ATOM 916 N GLU A 58 -21.125 -2.832 -11.595 1.00 1.00 N ATOM 917 CA GLU A 58 -19.742 -3.232 -11.792 1.00 1.00 C ATOM 918 C GLU A 58 -19.007 -2.142 -12.575 1.00 1.00 C ATOM 919 O GLU A 58 -17.812 -1.937 -12.320 1.00 1.00 O ATOM 920 CB GLU A 58 -19.644 -4.581 -12.507 1.00 1.00 C ATOM 921 CG GLU A 58 -18.520 -5.434 -11.915 1.00 1.00 C ATOM 922 CD GLU A 58 -18.398 -6.769 -12.654 1.00 1.00 C ATOM 923 OE1 GLU A 58 -19.404 -7.563 -12.513 1.00 1.00 O ATOM 924 OE2 GLU A 58 -17.384 -7.017 -13.322 1.00 1.00 O ATOM 0 H GLU A 58 -21.809 -3.526 -11.897 1.00 1.00 H new ATOM 0 HA GLU A 58 -19.271 -3.354 -10.817 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -20.592 -5.112 -12.421 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -19.463 -4.421 -13.570 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -17.576 -4.892 -11.977 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -18.714 -5.616 -10.858 1.00 1.00 H new ATOM 931 N GLU A 59 -19.724 -1.475 -13.498 1.00 1.00 N ATOM 932 CA GLU A 59 -19.144 -0.418 -14.308 1.00 1.00 C ATOM 933 C GLU A 59 -18.821 0.783 -13.416 1.00 1.00 C ATOM 934 O GLU A 59 -17.684 1.272 -13.476 1.00 1.00 O ATOM 935 CB GLU A 59 -20.073 -0.015 -15.455 1.00 1.00 C ATOM 936 CG GLU A 59 -19.285 0.628 -16.598 1.00 1.00 C ATOM 937 CD GLU A 59 -20.221 1.343 -17.575 1.00 1.00 C ATOM 938 OE1 GLU A 59 -20.796 2.387 -17.231 1.00 1.00 O ATOM 939 OE2 GLU A 59 -20.341 0.778 -18.728 1.00 1.00 O ATOM 0 H GLU A 59 -20.708 -1.659 -13.693 1.00 1.00 H new ATOM 0 HA GLU A 59 -18.224 -0.789 -14.760 1.00 1.00 H new ATOM 0 HB2 GLU A 59 -20.604 -0.893 -15.823 1.00 1.00 H new ATOM 0 HB3 GLU A 59 -20.826 0.683 -15.090 1.00 1.00 H new ATOM 0 HG2 GLU A 59 -18.564 1.339 -16.193 1.00 1.00 H new ATOM 0 HG3 GLU A 59 -18.716 -0.136 -17.127 1.00 1.00 H new ATOM 946 N CYS A 60 -19.811 1.225 -12.620 1.00 1.00 N ATOM 947 CA CYS A 60 -19.632 2.357 -11.727 1.00 1.00 C ATOM 948 C CYS A 60 -18.556 2.020 -10.692 1.00 1.00 C ATOM 949 O CYS A 60 -17.905 2.950 -10.194 1.00 1.00 O ATOM 950 CB CYS A 60 -20.954 2.753 -11.066 1.00 1.00 C ATOM 951 SG CYS A 60 -20.795 3.908 -9.673 1.00 1.00 S ATOM 0 H CYS A 60 -20.741 0.807 -12.585 1.00 1.00 H new ATOM 0 HA CYS A 60 -19.300 3.221 -12.303 1.00 1.00 H new ATOM 0 HB2 CYS A 60 -21.600 3.202 -11.820 1.00 1.00 H new ATOM 0 HB3 CYS A 60 -21.453 1.850 -10.715 1.00 1.00 H new ATOM 957 N LYS A 61 -18.394 0.718 -10.395 1.00 1.00 N ATOM 958 CA LYS A 61 -17.406 0.266 -9.430 1.00 1.00 C ATOM 959 C LYS A 61 -16.024 0.257 -10.086 1.00 1.00 C ATOM 960 O LYS A 61 -15.092 0.834 -9.506 1.00 1.00 O ATOM 961 CB LYS A 61 -17.815 -1.085 -8.839 1.00 1.00 C ATOM 962 CG LYS A 61 -19.231 -1.025 -8.262 1.00 1.00 C ATOM 963 CD LYS A 61 -19.258 -1.533 -6.819 1.00 1.00 C ATOM 964 CE LYS A 61 -19.998 -0.554 -5.907 1.00 1.00 C ATOM 965 NZ LYS A 61 -21.373 -1.019 -5.659 1.00 1.00 N ATOM 0 H LYS A 61 -18.942 -0.032 -10.817 1.00 1.00 H new ATOM 0 HA LYS A 61 -17.354 0.955 -8.587 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -17.765 -1.854 -9.610 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -17.112 -1.372 -8.057 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -19.598 0.001 -8.297 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -19.903 -1.625 -8.875 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -19.744 -2.508 -6.782 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -18.238 -1.671 -6.459 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -19.465 -0.455 -4.961 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -20.019 0.435 -6.366 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -22.036 -0.229 -5.792 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -21.607 -1.783 -6.325 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -21.449 -1.375 -4.685 1.00 1.00 H new ATOM 979 N ASN A 62 -15.920 -0.386 -11.262 1.00 1.00 N ATOM 980 CA ASN A 62 -14.664 -0.468 -11.988 1.00 1.00 C ATOM 981 C ASN A 62 -14.097 0.941 -12.177 1.00 1.00 C ATOM 982 O ASN A 62 -12.878 1.111 -12.031 1.00 1.00 O ATOM 983 CB ASN A 62 -14.866 -1.086 -13.372 1.00 1.00 C ATOM 984 CG ASN A 62 -13.643 -1.906 -13.790 1.00 1.00 C ATOM 985 OD1 ASN A 62 -12.516 -1.440 -13.773 1.00 1.00 O ATOM 986 ND2 ASN A 62 -13.928 -3.149 -14.165 1.00 1.00 N ATOM 0 H ASN A 62 -16.700 -0.855 -11.722 1.00 1.00 H new ATOM 0 HA ASN A 62 -13.982 -1.092 -11.411 1.00 1.00 H new ATOM 0 HB2 ASN A 62 -15.750 -1.723 -13.364 1.00 1.00 H new ATOM 0 HB3 ASN A 62 -15.047 -0.298 -14.103 1.00 1.00 H new ATOM 0 HD21 ASN A 62 -13.180 -3.776 -14.462 1.00 1.00 H new ATOM 0 HD22 ASN A 62 -14.894 -3.476 -14.156 1.00 1.00 H new ATOM 993 N ILE A 63 -14.978 1.907 -12.494 1.00 1.00 N ATOM 994 CA ILE A 63 -14.568 3.285 -12.701 1.00 1.00 C ATOM 995 C ILE A 63 -14.320 3.948 -11.344 1.00 1.00 C ATOM 996 O ILE A 63 -13.225 4.495 -11.147 1.00 1.00 O ATOM 997 CB ILE A 63 -15.590 4.024 -13.568 1.00 1.00 C ATOM 998 CG1 ILE A 63 -15.441 3.636 -15.041 1.00 1.00 C ATOM 999 CG2 ILE A 63 -15.494 5.536 -13.361 1.00 1.00 C ATOM 1000 CD1 ILE A 63 -16.281 2.401 -15.370 1.00 1.00 C ATOM 0 H ILE A 63 -15.979 1.746 -12.610 1.00 1.00 H new ATOM 0 HA ILE A 63 -13.629 3.324 -13.253 1.00 1.00 H new ATOM 0 HB ILE A 63 -16.588 3.720 -13.254 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -15.749 4.469 -15.673 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -14.393 3.437 -15.264 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -16.231 6.037 -13.989 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -15.687 5.773 -12.315 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -14.495 5.878 -13.632 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -16.157 2.147 -16.423 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -15.954 1.564 -14.753 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -17.331 2.611 -15.169 1.00 1.00 H new ATOM 1012 N CYS A 64 -15.324 3.887 -10.451 1.00 1.00 N ATOM 1013 CA CYS A 64 -15.214 4.477 -9.128 1.00 1.00 C ATOM 1014 C CYS A 64 -14.474 3.509 -8.203 1.00 1.00 C ATOM 1015 O CYS A 64 -13.252 3.657 -8.051 1.00 1.00 O ATOM 1016 CB CYS A 64 -16.590 4.854 -8.576 1.00 1.00 C ATOM 1017 SG CYS A 64 -17.622 5.834 -9.705 1.00 1.00 S ATOM 0 H CYS A 64 -16.218 3.431 -10.633 1.00 1.00 H new ATOM 0 HA CYS A 64 -14.640 5.402 -9.192 1.00 1.00 H new ATOM 0 HB2 CYS A 64 -17.125 3.940 -8.318 1.00 1.00 H new ATOM 0 HB3 CYS A 64 -16.454 5.415 -7.652 1.00 1.00 H new ATOM 0 HG CYS A 64 -16.885 6.718 -10.309 1.00 1.00 H new ATOM 1023 N GLU A 65 -15.214 2.554 -7.613 1.00 1.00 N ATOM 1024 CA GLU A 65 -14.631 1.573 -6.713 1.00 1.00 C ATOM 1025 C GLU A 65 -13.220 1.225 -7.190 1.00 1.00 C ATOM 1026 O GLU A 65 -12.366 0.932 -6.340 1.00 1.00 O ATOM 1027 CB GLU A 65 -15.500 0.319 -6.610 1.00 1.00 C ATOM 1028 CG GLU A 65 -16.582 0.487 -5.541 1.00 1.00 C ATOM 1029 CD GLU A 65 -16.801 -0.817 -4.772 1.00 1.00 C ATOM 1030 OE1 GLU A 65 -16.210 -1.850 -5.122 1.00 1.00 O ATOM 1031 OE2 GLU A 65 -17.617 -0.734 -3.777 1.00 1.00 O ATOM 0 H GLU A 65 -16.219 2.450 -7.751 1.00 1.00 H new ATOM 0 HA GLU A 65 -14.577 2.004 -5.713 1.00 1.00 H new ATOM 0 HB2 GLU A 65 -15.965 0.115 -7.574 1.00 1.00 H new ATOM 0 HB3 GLU A 65 -14.876 -0.541 -6.369 1.00 1.00 H new ATOM 0 HG2 GLU A 65 -16.294 1.278 -4.848 1.00 1.00 H new ATOM 0 HG3 GLU A 65 -17.516 0.798 -6.009 1.00 1.00 H new ATOM 1038 N ASP A 66 -13.006 1.263 -8.517 1.00 1.00 N ATOM 1039 CA ASP A 66 -11.710 0.954 -9.098 1.00 1.00 C ATOM 1040 C ASP A 66 -11.198 -0.366 -8.518 1.00 1.00 C ATOM 1041 O ASP A 66 -10.663 -0.350 -7.399 1.00 1.00 O ATOM 1042 CB ASP A 66 -10.686 2.043 -8.772 1.00 1.00 C ATOM 1043 CG ASP A 66 -10.330 2.172 -7.290 1.00 1.00 C ATOM 1044 OD1 ASP A 66 -11.111 2.937 -6.605 1.00 1.00 O ATOM 1045 OD2 ASP A 66 -9.355 1.572 -6.813 1.00 1.00 O ATOM 0 H ASP A 66 -13.723 1.507 -9.200 1.00 1.00 H new ATOM 0 HA ASP A 66 -11.832 0.887 -10.179 1.00 1.00 H new ATOM 0 HB2 ASP A 66 -9.773 1.843 -9.333 1.00 1.00 H new ATOM 0 HB3 ASP A 66 -11.072 3.000 -9.122 1.00 1.00 H new