USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=13 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 14 CYS SG : rot -81:sc= -19.6! USER MOD Set 1.2: A 64 CYS SG : rot -58:sc= -19.7! USER MOD Single : A 10 LYS NZ :NH3+ -158:sc= 0.764 (180deg=-0.509) USER MOD Single : A 23 CYS SG : rot -62:sc= 0.0988 USER MOD Single : A 26 TYR OH : rot 180:sc= -0.159 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 165:sc= -2.92! USER MOD Single : A 32 TYR OH : rot -61:sc= 0.0397 USER MOD Single : A 33 ASN : amide:sc= 0.495 K(o=0.49,f=-5.8!) USER MOD Single : A 34 ASN : amide:sc= -0.135 X(o=-0.14,f=-0.39) USER MOD Single : A 35 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.087) USER MOD Single : A 36 THR OG1 : rot 120:sc= -4.19! USER MOD Single : A 37 LYS NZ :NH3+ -166:sc= -0.0172 (180deg=-0.197) USER MOD Single : A 38 GLN : amide:sc= -0.039 X(o=-0.039,f=0.068) 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= -4.5! C(o=-4.5!,f=-11!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.958 K(o=-0.96,f=-8.4!) USER MOD Single : A 53 ASN : amide:sc= -9.9! C(o=-9.9!,f=-13!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.3 USER MOD Single : A 61 LYS NZ :NH3+ -145:sc= -2.3 (180deg=-2.77) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 145 N LYS A 10 5.764 -12.612 -13.807 1.00 1.00 N ATOM 146 CA LYS A 10 5.641 -13.984 -14.267 1.00 1.00 C ATOM 147 C LYS A 10 6.021 -14.057 -15.748 1.00 1.00 C ATOM 148 O LYS A 10 5.752 -13.088 -16.473 1.00 1.00 O ATOM 149 CB LYS A 10 4.244 -14.528 -13.963 1.00 1.00 C ATOM 150 CG LYS A 10 4.318 -15.747 -13.043 1.00 1.00 C ATOM 151 CD LYS A 10 3.151 -16.702 -13.303 1.00 1.00 C ATOM 152 CE LYS A 10 3.334 -17.444 -14.628 1.00 1.00 C ATOM 153 NZ LYS A 10 2.160 -18.284 -14.916 1.00 1.00 N ATOM 0 HA LYS A 10 6.334 -14.630 -13.728 1.00 1.00 H new ATOM 0 HB2 LYS A 10 3.641 -13.750 -13.494 1.00 1.00 H new ATOM 0 HB3 LYS A 10 3.746 -14.800 -14.893 1.00 1.00 H new ATOM 0 HG2 LYS A 10 5.262 -16.269 -13.200 1.00 1.00 H new ATOM 0 HG3 LYS A 10 4.303 -15.423 -12.002 1.00 1.00 H new ATOM 0 HD2 LYS A 10 3.076 -17.421 -12.487 1.00 1.00 H new ATOM 0 HD3 LYS A 10 2.216 -16.142 -13.322 1.00 1.00 H new ATOM 0 HE2 LYS A 10 3.482 -16.727 -15.435 1.00 1.00 H new ATOM 0 HE3 LYS A 10 4.230 -18.064 -14.584 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 2.428 -19.039 -15.580 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 1.811 -18.707 -14.033 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 1.411 -17.700 -15.340 1.00 1.00 H new ATOM 167 N PRO A 11 6.628 -15.184 -16.159 1.00 1.00 N ATOM 168 CA PRO A 11 7.052 -15.413 -17.530 1.00 1.00 C ATOM 169 C PRO A 11 5.873 -15.285 -18.497 1.00 1.00 C ATOM 170 O PRO A 11 5.021 -16.186 -18.510 1.00 1.00 O ATOM 171 CB PRO A 11 7.669 -16.802 -17.525 1.00 1.00 C ATOM 172 CG PRO A 11 7.152 -17.483 -16.268 1.00 1.00 C ATOM 173 CD PRO A 11 6.540 -16.414 -15.377 1.00 1.00 C ATOM 0 HA PRO A 11 7.774 -14.673 -17.876 1.00 1.00 H new ATOM 0 HB2 PRO A 11 7.383 -17.360 -18.417 1.00 1.00 H new ATOM 0 HB3 PRO A 11 8.758 -16.746 -17.519 1.00 1.00 H new ATOM 0 HG2 PRO A 11 6.409 -18.240 -16.522 1.00 1.00 H new ATOM 0 HG3 PRO A 11 7.963 -17.994 -15.749 1.00 1.00 H new ATOM 0 HD2 PRO A 11 5.506 -16.651 -15.127 1.00 1.00 H new ATOM 0 HD3 PRO A 11 7.083 -16.325 -14.436 1.00 1.00 H new ATOM 181 N ASP A 12 5.847 -14.188 -19.274 1.00 1.00 N ATOM 182 CA ASP A 12 4.783 -13.949 -20.234 1.00 1.00 C ATOM 183 C ASP A 12 4.776 -15.073 -21.272 1.00 1.00 C ATOM 184 O ASP A 12 3.695 -15.394 -21.787 1.00 1.00 O ATOM 185 CB ASP A 12 4.993 -12.625 -20.971 1.00 1.00 C ATOM 186 CG ASP A 12 3.881 -12.246 -21.951 1.00 1.00 C ATOM 187 OD1 ASP A 12 2.705 -12.137 -21.570 1.00 1.00 O ATOM 188 OD2 ASP A 12 4.266 -12.058 -23.167 1.00 1.00 O ATOM 0 H ASP A 12 6.558 -13.457 -19.247 1.00 1.00 H new ATOM 0 HA ASP A 12 3.840 -13.912 -19.689 1.00 1.00 H new ATOM 0 HB2 ASP A 12 5.094 -11.828 -20.234 1.00 1.00 H new ATOM 0 HB3 ASP A 12 5.935 -12.676 -21.516 1.00 1.00 H new ATOM 193 N PHE A 13 5.963 -15.638 -21.555 1.00 1.00 N ATOM 194 CA PHE A 13 6.092 -16.715 -22.523 1.00 1.00 C ATOM 195 C PHE A 13 5.145 -17.854 -22.140 1.00 1.00 C ATOM 196 O PHE A 13 4.669 -18.554 -23.046 1.00 1.00 O ATOM 197 CB PHE A 13 7.554 -17.203 -22.547 1.00 1.00 C ATOM 198 CG PHE A 13 7.964 -18.041 -21.344 1.00 1.00 C ATOM 199 CD1 PHE A 13 7.417 -19.331 -21.152 1.00 1.00 C ATOM 200 CD2 PHE A 13 8.890 -17.529 -20.406 1.00 1.00 C ATOM 201 CE1 PHE A 13 7.796 -20.103 -20.033 1.00 1.00 C ATOM 202 CE2 PHE A 13 9.269 -18.302 -19.288 1.00 1.00 C ATOM 203 CZ PHE A 13 8.722 -19.589 -19.101 1.00 1.00 C ATOM 0 H PHE A 13 6.842 -15.358 -21.120 1.00 1.00 H new ATOM 0 HA PHE A 13 5.826 -16.361 -23.519 1.00 1.00 H new ATOM 0 HB2 PHE A 13 7.712 -17.789 -23.452 1.00 1.00 H new ATOM 0 HB3 PHE A 13 8.211 -16.336 -22.610 1.00 1.00 H new ATOM 0 HD1 PHE A 13 6.707 -19.726 -21.864 1.00 1.00 H new ATOM 0 HD2 PHE A 13 9.308 -16.543 -20.546 1.00 1.00 H new ATOM 0 HE1 PHE A 13 7.377 -21.088 -19.890 1.00 1.00 H new ATOM 0 HE2 PHE A 13 9.978 -17.908 -18.575 1.00 1.00 H new ATOM 0 HZ PHE A 13 9.012 -20.180 -18.245 1.00 1.00 H new ATOM 213 N CYS A 14 4.896 -18.015 -20.829 1.00 1.00 N ATOM 214 CA CYS A 14 4.015 -19.060 -20.335 1.00 1.00 C ATOM 215 C CYS A 14 2.595 -18.807 -20.846 1.00 1.00 C ATOM 216 O CYS A 14 1.905 -19.783 -21.175 1.00 1.00 O ATOM 217 CB CYS A 14 4.065 -19.148 -18.808 1.00 1.00 C ATOM 218 SG CYS A 14 5.537 -19.978 -18.140 1.00 1.00 S ATOM 0 H CYS A 14 5.299 -17.427 -20.099 1.00 1.00 H new ATOM 0 HA CYS A 14 4.352 -20.025 -20.713 1.00 1.00 H new ATOM 0 HB2 CYS A 14 4.017 -18.139 -18.398 1.00 1.00 H new ATOM 0 HB3 CYS A 14 3.178 -19.676 -18.459 1.00 1.00 H new ATOM 0 HG CYS A 14 5.378 -21.266 -18.210 1.00 1.00 H new ATOM 224 N PHE A 15 2.194 -17.525 -20.902 1.00 1.00 N ATOM 225 CA PHE A 15 0.870 -17.152 -21.369 1.00 1.00 C ATOM 226 C PHE A 15 0.898 -16.986 -22.889 1.00 1.00 C ATOM 227 O PHE A 15 -0.002 -16.325 -23.427 1.00 1.00 O ATOM 228 CB PHE A 15 0.442 -15.839 -20.684 1.00 1.00 C ATOM 229 CG PHE A 15 0.617 -15.825 -19.171 1.00 1.00 C ATOM 230 CD1 PHE A 15 0.140 -16.901 -18.387 1.00 1.00 C ATOM 231 CD2 PHE A 15 1.253 -14.731 -18.542 1.00 1.00 C ATOM 232 CE1 PHE A 15 0.301 -16.883 -16.985 1.00 1.00 C ATOM 233 CE2 PHE A 15 1.414 -14.713 -17.140 1.00 1.00 C ATOM 234 CZ PHE A 15 0.938 -15.789 -16.361 1.00 1.00 C ATOM 0 H PHE A 15 2.778 -16.736 -20.626 1.00 1.00 H new ATOM 0 HA PHE A 15 0.149 -17.930 -21.117 1.00 1.00 H new ATOM 0 HB2 PHE A 15 1.018 -15.018 -21.111 1.00 1.00 H new ATOM 0 HB3 PHE A 15 -0.606 -15.648 -20.917 1.00 1.00 H new ATOM 0 HD1 PHE A 15 -0.349 -17.739 -18.862 1.00 1.00 H new ATOM 0 HD2 PHE A 15 1.617 -13.906 -19.136 1.00 1.00 H new ATOM 0 HE1 PHE A 15 -0.063 -17.707 -16.389 1.00 1.00 H new ATOM 0 HE2 PHE A 15 1.902 -13.876 -16.663 1.00 1.00 H new ATOM 0 HZ PHE A 15 1.061 -15.775 -15.288 1.00 1.00 H new ATOM 244 N LEU A 16 1.913 -17.581 -23.541 1.00 1.00 N ATOM 245 CA LEU A 16 2.054 -17.500 -24.985 1.00 1.00 C ATOM 246 C LEU A 16 1.531 -18.791 -25.617 1.00 1.00 C ATOM 247 O LEU A 16 2.119 -19.853 -25.364 1.00 1.00 O ATOM 248 CB LEU A 16 3.499 -17.171 -25.365 1.00 1.00 C ATOM 249 CG LEU A 16 3.690 -15.987 -26.315 1.00 1.00 C ATOM 250 CD1 LEU A 16 3.049 -16.267 -27.676 1.00 1.00 C ATOM 251 CD2 LEU A 16 3.167 -14.693 -25.690 1.00 1.00 C ATOM 0 H LEU A 16 2.644 -18.122 -23.079 1.00 1.00 H new ATOM 0 HA LEU A 16 1.451 -16.683 -25.381 1.00 1.00 H new ATOM 0 HB2 LEU A 16 4.058 -16.971 -24.451 1.00 1.00 H new ATOM 0 HB3 LEU A 16 3.943 -18.054 -25.824 1.00 1.00 H new ATOM 0 HG LEU A 16 4.758 -15.853 -26.484 1.00 1.00 H new ATOM 0 HD11 LEU A 16 3.199 -15.410 -28.332 1.00 1.00 H new ATOM 0 HD12 LEU A 16 3.510 -17.149 -28.120 1.00 1.00 H new ATOM 0 HD13 LEU A 16 1.981 -16.442 -27.546 1.00 1.00 H new ATOM 0 HD21 LEU A 16 3.315 -13.867 -26.386 1.00 1.00 H new ATOM 0 HD22 LEU A 16 2.104 -14.798 -25.472 1.00 1.00 H new ATOM 0 HD23 LEU A 16 3.709 -14.490 -24.766 1.00 1.00 H new ATOM 263 N GLU A 17 0.453 -18.677 -26.414 1.00 1.00 N ATOM 264 CA GLU A 17 -0.141 -19.827 -27.074 1.00 1.00 C ATOM 265 C GLU A 17 0.969 -20.767 -27.550 1.00 1.00 C ATOM 266 O GLU A 17 1.971 -20.272 -28.086 1.00 1.00 O ATOM 267 CB GLU A 17 -1.038 -19.405 -28.239 1.00 1.00 C ATOM 268 CG GLU A 17 -0.549 -18.096 -28.862 1.00 1.00 C ATOM 269 CD GLU A 17 -1.355 -16.905 -28.338 1.00 1.00 C ATOM 270 OE1 GLU A 17 -2.520 -17.069 -27.946 1.00 1.00 O ATOM 271 OE2 GLU A 17 -0.729 -15.777 -28.346 1.00 1.00 O ATOM 0 H GLU A 17 -0.017 -17.793 -26.609 1.00 1.00 H new ATOM 0 HA GLU A 17 -0.775 -20.351 -26.359 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -1.050 -20.190 -28.996 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -2.063 -19.284 -27.888 1.00 1.00 H new ATOM 0 HG2 GLU A 17 0.507 -17.953 -28.635 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -0.637 -18.150 -29.947 1.00 1.00 H new ATOM 278 N GLU A 18 0.772 -22.082 -27.348 1.00 1.00 N ATOM 279 CA GLU A 18 1.749 -23.078 -27.753 1.00 1.00 C ATOM 280 C GLU A 18 2.187 -22.801 -29.193 1.00 1.00 C ATOM 281 O GLU A 18 1.347 -22.356 -29.989 1.00 1.00 O ATOM 282 CB GLU A 18 1.197 -24.498 -27.612 1.00 1.00 C ATOM 283 CG GLU A 18 0.513 -24.951 -28.904 1.00 1.00 C ATOM 284 CD GLU A 18 -0.673 -25.869 -28.603 1.00 1.00 C ATOM 285 OE1 GLU A 18 -1.722 -25.272 -28.147 1.00 1.00 O ATOM 286 OE2 GLU A 18 -0.579 -27.090 -28.800 1.00 1.00 O ATOM 0 H GLU A 18 -0.061 -22.469 -26.905 1.00 1.00 H new ATOM 0 HA GLU A 18 2.614 -23.007 -27.093 1.00 1.00 H new ATOM 0 HB2 GLU A 18 2.007 -25.184 -27.365 1.00 1.00 H new ATOM 0 HB3 GLU A 18 0.485 -24.535 -26.787 1.00 1.00 H new ATOM 0 HG2 GLU A 18 0.171 -24.080 -29.463 1.00 1.00 H new ATOM 0 HG3 GLU A 18 1.231 -25.474 -29.536 1.00 1.00 H new ATOM 293 N ASP A 19 3.471 -23.064 -29.493 1.00 1.00 N ATOM 294 CA ASP A 19 4.011 -22.844 -30.824 1.00 1.00 C ATOM 295 C ASP A 19 5.029 -23.941 -31.145 1.00 1.00 C ATOM 296 O ASP A 19 6.197 -23.793 -30.756 1.00 1.00 O ATOM 297 CB ASP A 19 4.727 -21.495 -30.912 1.00 1.00 C ATOM 298 CG ASP A 19 4.787 -20.885 -32.314 1.00 1.00 C ATOM 299 OD1 ASP A 19 4.912 -21.737 -33.275 1.00 1.00 O ATOM 300 OD2 ASP A 19 4.718 -19.658 -32.480 1.00 1.00 O ATOM 0 H ASP A 19 4.147 -23.430 -28.822 1.00 1.00 H new ATOM 0 HA ASP A 19 3.181 -22.859 -31.531 1.00 1.00 H new ATOM 0 HB2 ASP A 19 4.227 -20.791 -30.247 1.00 1.00 H new ATOM 0 HB3 ASP A 19 5.745 -21.616 -30.541 1.00 1.00 H new ATOM 305 N PRO A 20 4.574 -25.001 -31.835 1.00 1.00 N ATOM 306 CA PRO A 20 5.409 -26.127 -32.220 1.00 1.00 C ATOM 307 C PRO A 20 6.443 -25.710 -33.268 1.00 1.00 C ATOM 308 O PRO A 20 7.340 -26.512 -33.563 1.00 1.00 O ATOM 309 CB PRO A 20 4.439 -27.180 -32.729 1.00 1.00 C ATOM 310 CG PRO A 20 3.149 -26.441 -33.046 1.00 1.00 C ATOM 311 CD PRO A 20 3.233 -25.063 -32.410 1.00 1.00 C ATOM 0 HA PRO A 20 5.999 -26.516 -31.390 1.00 1.00 H new ATOM 0 HB2 PRO A 20 4.832 -27.677 -33.616 1.00 1.00 H new ATOM 0 HB3 PRO A 20 4.272 -27.952 -31.978 1.00 1.00 H new ATOM 0 HG2 PRO A 20 3.013 -26.356 -34.124 1.00 1.00 H new ATOM 0 HG3 PRO A 20 2.290 -26.989 -32.658 1.00 1.00 H new ATOM 0 HD2 PRO A 20 3.082 -24.276 -33.149 1.00 1.00 H new ATOM 0 HD3 PRO A 20 2.468 -24.933 -31.645 1.00 1.00 H new ATOM 319 N GLY A 21 6.299 -24.483 -33.800 1.00 1.00 N ATOM 320 CA GLY A 21 7.214 -23.968 -34.805 1.00 1.00 C ATOM 321 C GLY A 21 6.554 -24.056 -36.182 1.00 1.00 C ATOM 322 O GLY A 21 5.321 -23.951 -36.254 1.00 1.00 O ATOM 0 H GLY A 21 5.553 -23.837 -33.543 1.00 1.00 H new ATOM 0 HA2 GLY A 21 7.475 -22.934 -34.580 1.00 1.00 H new ATOM 0 HA3 GLY A 21 8.142 -24.540 -34.796 1.00 1.00 H new ATOM 326 N ILE A 22 7.374 -24.245 -37.232 1.00 1.00 N ATOM 327 CA ILE A 22 6.874 -24.346 -38.592 1.00 1.00 C ATOM 328 C ILE A 22 6.990 -25.796 -39.067 1.00 1.00 C ATOM 329 O ILE A 22 6.304 -26.156 -40.034 1.00 1.00 O ATOM 330 CB ILE A 22 7.586 -23.343 -39.501 1.00 1.00 C ATOM 331 CG1 ILE A 22 8.125 -22.159 -38.695 1.00 1.00 C ATOM 332 CG2 ILE A 22 6.671 -22.891 -40.641 1.00 1.00 C ATOM 333 CD1 ILE A 22 8.945 -21.220 -39.582 1.00 1.00 C ATOM 0 H ILE A 22 8.387 -24.330 -37.151 1.00 1.00 H new ATOM 0 HA ILE A 22 5.817 -24.081 -38.630 1.00 1.00 H new ATOM 0 HB ILE A 22 8.443 -23.841 -39.954 1.00 1.00 H new ATOM 0 HG12 ILE A 22 7.296 -21.611 -38.248 1.00 1.00 H new ATOM 0 HG13 ILE A 22 8.744 -22.524 -37.876 1.00 1.00 H new ATOM 0 HG21 ILE A 22 7.201 -22.178 -41.272 1.00 1.00 H new ATOM 0 HG22 ILE A 22 6.378 -23.755 -41.237 1.00 1.00 H new ATOM 0 HG23 ILE A 22 5.781 -22.417 -40.227 1.00 1.00 H new ATOM 0 HD11 ILE A 22 9.316 -20.387 -38.985 1.00 1.00 H new ATOM 0 HD12 ILE A 22 9.787 -21.765 -40.008 1.00 1.00 H new ATOM 0 HD13 ILE A 22 8.316 -20.838 -40.386 1.00 1.00 H new ATOM 345 N CYS A 23 7.841 -26.586 -38.388 1.00 1.00 N ATOM 346 CA CYS A 23 8.043 -27.982 -38.739 1.00 1.00 C ATOM 347 C CYS A 23 7.071 -28.849 -37.936 1.00 1.00 C ATOM 348 O CYS A 23 6.266 -28.288 -37.179 1.00 1.00 O ATOM 349 CB CYS A 23 9.498 -28.401 -38.519 1.00 1.00 C ATOM 350 SG CYS A 23 10.217 -27.860 -36.941 1.00 1.00 S ATOM 0 H CYS A 23 8.396 -26.270 -37.593 1.00 1.00 H new ATOM 0 HA CYS A 23 7.837 -28.122 -39.800 1.00 1.00 H new ATOM 0 HB2 CYS A 23 9.561 -29.488 -38.577 1.00 1.00 H new ATOM 0 HB3 CYS A 23 10.103 -28.003 -39.333 1.00 1.00 H new ATOM 0 HG CYS A 23 10.228 -26.561 -36.892 1.00 1.00 H new ATOM 356 N ARG A 24 7.163 -30.179 -38.115 1.00 1.00 N ATOM 357 CA ARG A 24 6.299 -31.112 -37.412 1.00 1.00 C ATOM 358 C ARG A 24 6.926 -31.466 -36.063 1.00 1.00 C ATOM 359 O ARG A 24 6.357 -31.084 -35.030 1.00 1.00 O ATOM 360 CB ARG A 24 6.082 -32.395 -38.217 1.00 1.00 C ATOM 361 CG ARG A 24 4.755 -33.059 -37.844 1.00 1.00 C ATOM 362 CD ARG A 24 4.512 -34.312 -38.688 1.00 1.00 C ATOM 363 NE ARG A 24 3.104 -34.350 -39.143 1.00 1.00 N ATOM 364 CZ ARG A 24 2.579 -33.502 -40.053 1.00 1.00 C ATOM 365 NH1 ARG A 24 3.364 -32.559 -40.590 1.00 1.00 N ATOM 366 NH2 ARG A 24 1.292 -33.602 -40.413 1.00 1.00 N ATOM 0 H ARG A 24 7.833 -30.621 -38.745 1.00 1.00 H new ATOM 0 HA ARG A 24 5.331 -30.632 -37.269 1.00 1.00 H new ATOM 0 HB2 ARG A 24 6.091 -32.166 -39.283 1.00 1.00 H new ATOM 0 HB3 ARG A 24 6.904 -33.087 -38.033 1.00 1.00 H new ATOM 0 HG2 ARG A 24 4.762 -33.324 -36.787 1.00 1.00 H new ATOM 0 HG3 ARG A 24 3.937 -32.353 -37.991 1.00 1.00 H new ATOM 0 HD2 ARG A 24 5.181 -34.316 -39.548 1.00 1.00 H new ATOM 0 HD3 ARG A 24 4.738 -35.204 -38.104 1.00 1.00 H new ATOM 0 HE ARG A 24 2.492 -35.062 -38.744 1.00 1.00 H new ATOM 0 HH11 ARG A 24 4.342 -32.490 -40.310 1.00 1.00 H new ATOM 0 HH12 ARG A 24 2.983 -31.910 -41.279 1.00 1.00 H new ATOM 0 HH21 ARG A 24 0.701 -34.323 -39.999 1.00 1.00 H new ATOM 0 HH22 ARG A 24 0.903 -32.957 -41.101 1.00 1.00 H new ATOM 380 N GLY A 25 8.068 -32.175 -36.097 1.00 1.00 N ATOM 381 CA GLY A 25 8.764 -32.574 -34.885 1.00 1.00 C ATOM 382 C GLY A 25 7.790 -32.533 -33.706 1.00 1.00 C ATOM 383 O GLY A 25 7.702 -31.485 -33.050 1.00 1.00 O ATOM 0 H GLY A 25 8.521 -32.479 -36.959 1.00 1.00 H new ATOM 0 HA2 GLY A 25 9.172 -33.578 -35.000 1.00 1.00 H new ATOM 0 HA3 GLY A 25 9.606 -31.907 -34.699 1.00 1.00 H new ATOM 387 N TYR A 26 7.089 -33.655 -33.464 1.00 1.00 N ATOM 388 CA TYR A 26 6.144 -33.679 -32.361 1.00 1.00 C ATOM 389 C TYR A 26 6.822 -34.275 -31.126 1.00 1.00 C ATOM 390 O TYR A 26 7.602 -35.224 -31.291 1.00 1.00 O ATOM 391 CB TYR A 26 4.890 -34.476 -32.766 1.00 1.00 C ATOM 392 CG TYR A 26 4.071 -33.840 -33.882 1.00 1.00 C ATOM 393 CD1 TYR A 26 4.290 -32.490 -34.238 1.00 1.00 C ATOM 394 CD2 TYR A 26 3.093 -34.595 -34.571 1.00 1.00 C ATOM 395 CE1 TYR A 26 3.536 -31.897 -35.273 1.00 1.00 C ATOM 396 CE2 TYR A 26 2.339 -34.002 -35.606 1.00 1.00 C ATOM 397 CZ TYR A 26 2.560 -32.652 -35.958 1.00 1.00 C ATOM 398 OH TYR A 26 1.831 -32.075 -36.958 1.00 1.00 O ATOM 0 H TYR A 26 7.161 -34.520 -34.000 1.00 1.00 H new ATOM 0 HA TYR A 26 5.826 -32.666 -32.116 1.00 1.00 H new ATOM 0 HB2 TYR A 26 5.195 -35.474 -33.080 1.00 1.00 H new ATOM 0 HB3 TYR A 26 4.254 -34.598 -31.890 1.00 1.00 H new ATOM 0 HD1 TYR A 26 5.037 -31.910 -33.716 1.00 1.00 H new ATOM 0 HD2 TYR A 26 2.923 -35.628 -34.304 1.00 1.00 H new ATOM 0 HE1 TYR A 26 3.706 -30.865 -35.541 1.00 1.00 H new ATOM 0 HE2 TYR A 26 1.592 -34.581 -36.129 1.00 1.00 H new ATOM 0 HH TYR A 26 1.204 -32.732 -37.326 1.00 1.00 H new ATOM 408 N ILE A 27 6.529 -33.714 -29.939 1.00 1.00 N ATOM 409 CA ILE A 27 7.120 -34.186 -28.698 1.00 1.00 C ATOM 410 C ILE A 27 6.149 -33.926 -27.545 1.00 1.00 C ATOM 411 O ILE A 27 5.832 -32.754 -27.294 1.00 1.00 O ATOM 412 CB ILE A 27 8.502 -33.561 -28.491 1.00 1.00 C ATOM 413 CG1 ILE A 27 9.000 -32.894 -29.775 1.00 1.00 C ATOM 414 CG2 ILE A 27 9.496 -34.594 -27.959 1.00 1.00 C ATOM 415 CD1 ILE A 27 10.281 -32.099 -29.518 1.00 1.00 C ATOM 0 H ILE A 27 5.884 -32.932 -29.825 1.00 1.00 H new ATOM 0 HA ILE A 27 7.285 -35.263 -28.740 1.00 1.00 H new ATOM 0 HB ILE A 27 8.414 -32.780 -27.736 1.00 1.00 H new ATOM 0 HG12 ILE A 27 9.185 -33.653 -30.535 1.00 1.00 H new ATOM 0 HG13 ILE A 27 8.229 -32.231 -30.167 1.00 1.00 H new ATOM 0 HG21 ILE A 27 10.470 -34.124 -27.821 1.00 1.00 H new ATOM 0 HG22 ILE A 27 9.141 -34.982 -27.004 1.00 1.00 H new ATOM 0 HG23 ILE A 27 9.586 -35.413 -28.672 1.00 1.00 H new ATOM 0 HD11 ILE A 27 10.614 -31.635 -30.447 1.00 1.00 H new ATOM 0 HD12 ILE A 27 10.086 -31.325 -28.775 1.00 1.00 H new ATOM 0 HD13 ILE A 27 11.057 -32.769 -29.149 1.00 1.00 H new ATOM 427 N THR A 28 5.703 -35.005 -26.878 1.00 1.00 N ATOM 428 CA THR A 28 4.778 -34.894 -25.763 1.00 1.00 C ATOM 429 C THR A 28 5.309 -33.862 -24.766 1.00 1.00 C ATOM 430 O THR A 28 5.859 -34.270 -23.733 1.00 1.00 O ATOM 431 CB THR A 28 4.579 -36.283 -25.153 1.00 1.00 C ATOM 432 OG1 THR A 28 4.030 -37.055 -26.217 1.00 1.00 O ATOM 433 CG2 THR A 28 3.489 -36.300 -24.079 1.00 1.00 C ATOM 0 H THR A 28 5.976 -35.962 -27.101 1.00 1.00 H new ATOM 0 HA THR A 28 3.800 -34.539 -26.087 1.00 1.00 H new ATOM 0 HB THR A 28 5.519 -36.628 -24.722 1.00 1.00 H new ATOM 0 HG1 THR A 28 3.871 -37.971 -25.908 1.00 1.00 H new ATOM 0 HG21 THR A 28 3.388 -37.309 -23.679 1.00 1.00 H new ATOM 0 HG22 THR A 28 3.760 -35.616 -23.275 1.00 1.00 H new ATOM 0 HG23 THR A 28 2.541 -35.987 -24.517 1.00 1.00 H new ATOM 441 N ARG A 29 5.136 -32.568 -25.090 1.00 1.00 N ATOM 442 CA ARG A 29 5.595 -31.491 -24.229 1.00 1.00 C ATOM 443 C ARG A 29 4.387 -30.812 -23.581 1.00 1.00 C ATOM 444 O ARG A 29 3.252 -31.164 -23.935 1.00 1.00 O ATOM 445 CB ARG A 29 6.399 -30.449 -25.008 1.00 1.00 C ATOM 446 CG ARG A 29 7.705 -31.047 -25.536 1.00 1.00 C ATOM 447 CD ARG A 29 8.572 -31.569 -24.389 1.00 1.00 C ATOM 448 NE ARG A 29 9.866 -32.060 -24.915 1.00 1.00 N ATOM 449 CZ ARG A 29 10.634 -32.981 -24.296 1.00 1.00 C ATOM 450 NH1 ARG A 29 10.219 -33.497 -23.131 1.00 1.00 N ATOM 451 NH2 ARG A 29 11.795 -33.374 -24.838 1.00 1.00 N ATOM 0 H ARG A 29 4.679 -32.254 -25.946 1.00 1.00 H new ATOM 0 HA ARG A 29 6.246 -31.922 -23.468 1.00 1.00 H new ATOM 0 HB2 ARG A 29 5.804 -30.073 -25.840 1.00 1.00 H new ATOM 0 HB3 ARG A 29 6.619 -29.598 -24.364 1.00 1.00 H new ATOM 0 HG2 ARG A 29 7.483 -31.859 -26.228 1.00 1.00 H new ATOM 0 HG3 ARG A 29 8.255 -30.291 -26.097 1.00 1.00 H new ATOM 0 HD2 ARG A 29 8.743 -30.776 -23.662 1.00 1.00 H new ATOM 0 HD3 ARG A 29 8.053 -32.373 -23.867 1.00 1.00 H new ATOM 0 HE ARG A 29 10.198 -31.678 -25.801 1.00 1.00 H new ATOM 0 HH11 ARG A 29 9.334 -33.193 -22.725 1.00 1.00 H new ATOM 0 HH12 ARG A 29 10.788 -34.194 -22.650 1.00 1.00 H new ATOM 0 HH21 ARG A 29 12.104 -32.976 -25.725 1.00 1.00 H new ATOM 0 HH22 ARG A 29 12.369 -34.071 -24.363 1.00 1.00 H new ATOM 465 N TYR A 30 4.649 -29.868 -22.659 1.00 1.00 N ATOM 466 CA TYR A 30 3.544 -29.189 -22.003 1.00 1.00 C ATOM 467 C TYR A 30 3.727 -27.676 -22.142 1.00 1.00 C ATOM 468 O TYR A 30 4.876 -27.241 -22.311 1.00 1.00 O ATOM 469 CB TYR A 30 3.466 -29.624 -20.529 1.00 1.00 C ATOM 470 CG TYR A 30 3.216 -31.112 -20.322 1.00 1.00 C ATOM 471 CD1 TYR A 30 4.233 -32.054 -20.600 1.00 1.00 C ATOM 472 CD2 TYR A 30 1.959 -31.559 -19.854 1.00 1.00 C ATOM 473 CE1 TYR A 30 3.996 -33.432 -20.410 1.00 1.00 C ATOM 474 CE2 TYR A 30 1.722 -32.937 -19.664 1.00 1.00 C ATOM 475 CZ TYR A 30 2.740 -33.875 -19.941 1.00 1.00 C ATOM 476 OH TYR A 30 2.506 -35.208 -19.754 1.00 1.00 O ATOM 0 H TYR A 30 5.581 -29.574 -22.367 1.00 1.00 H new ATOM 0 HA TYR A 30 2.600 -29.461 -22.476 1.00 1.00 H new ATOM 0 HB2 TYR A 30 4.398 -29.353 -20.033 1.00 1.00 H new ATOM 0 HB3 TYR A 30 2.670 -29.063 -20.039 1.00 1.00 H new ATOM 0 HD1 TYR A 30 5.194 -31.718 -20.959 1.00 1.00 H new ATOM 0 HD2 TYR A 30 1.178 -30.844 -19.641 1.00 1.00 H new ATOM 0 HE1 TYR A 30 4.776 -34.148 -20.623 1.00 1.00 H new ATOM 0 HE2 TYR A 30 0.761 -33.275 -19.306 1.00 1.00 H new ATOM 0 HH TYR A 30 1.699 -35.325 -19.211 1.00 1.00 H new ATOM 486 N PHE A 31 2.617 -26.919 -22.079 1.00 1.00 N ATOM 487 CA PHE A 31 2.663 -25.473 -22.208 1.00 1.00 C ATOM 488 C PHE A 31 1.510 -24.857 -21.414 1.00 1.00 C ATOM 489 O PHE A 31 0.432 -25.468 -21.369 1.00 1.00 O ATOM 490 CB PHE A 31 2.565 -25.093 -23.699 1.00 1.00 C ATOM 491 CG PHE A 31 1.152 -25.116 -24.268 1.00 1.00 C ATOM 492 CD1 PHE A 31 0.511 -26.350 -24.523 1.00 1.00 C ATOM 493 CD2 PHE A 31 0.471 -23.906 -24.538 1.00 1.00 C ATOM 494 CE1 PHE A 31 -0.799 -26.374 -25.046 1.00 1.00 C ATOM 495 CE2 PHE A 31 -0.839 -23.931 -25.062 1.00 1.00 C ATOM 496 CZ PHE A 31 -1.474 -25.165 -25.316 1.00 1.00 C ATOM 0 H PHE A 31 1.680 -27.297 -21.939 1.00 1.00 H new ATOM 0 HA PHE A 31 3.603 -25.090 -21.811 1.00 1.00 H new ATOM 0 HB2 PHE A 31 2.981 -24.094 -23.834 1.00 1.00 H new ATOM 0 HB3 PHE A 31 3.186 -25.778 -24.276 1.00 1.00 H new ATOM 0 HD1 PHE A 31 1.026 -27.277 -24.317 1.00 1.00 H new ATOM 0 HD2 PHE A 31 0.955 -22.960 -24.343 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -1.285 -27.319 -25.240 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -1.356 -23.005 -25.269 1.00 1.00 H new ATOM 0 HZ PHE A 31 -2.477 -25.184 -25.717 1.00 1.00 H new ATOM 506 N TYR A 32 1.754 -23.679 -20.813 1.00 1.00 N ATOM 507 CA TYR A 32 0.701 -23.044 -20.039 1.00 1.00 C ATOM 508 C TYR A 32 -0.284 -22.361 -20.990 1.00 1.00 C ATOM 509 O TYR A 32 0.067 -21.302 -21.530 1.00 1.00 O ATOM 510 CB TYR A 32 1.316 -22.047 -19.039 1.00 1.00 C ATOM 511 CG TYR A 32 0.331 -21.478 -18.028 1.00 1.00 C ATOM 512 CD1 TYR A 32 0.098 -22.143 -16.803 1.00 1.00 C ATOM 513 CD2 TYR A 32 -0.361 -20.279 -18.314 1.00 1.00 C ATOM 514 CE1 TYR A 32 -0.818 -21.613 -15.870 1.00 1.00 C ATOM 515 CE2 TYR A 32 -1.278 -19.748 -17.382 1.00 1.00 C ATOM 516 CZ TYR A 32 -1.507 -20.414 -16.158 1.00 1.00 C ATOM 517 OH TYR A 32 -2.394 -19.896 -15.258 1.00 1.00 O ATOM 0 H TYR A 32 2.638 -23.172 -20.851 1.00 1.00 H new ATOM 0 HA TYR A 32 0.154 -23.792 -19.464 1.00 1.00 H new ATOM 0 HB2 TYR A 32 2.124 -22.543 -18.501 1.00 1.00 H new ATOM 0 HB3 TYR A 32 1.763 -21.223 -19.595 1.00 1.00 H new ATOM 0 HD1 TYR A 32 0.623 -23.060 -16.580 1.00 1.00 H new ATOM 0 HD2 TYR A 32 -0.187 -19.767 -19.249 1.00 1.00 H new ATOM 0 HE1 TYR A 32 -0.993 -22.124 -14.935 1.00 1.00 H new ATOM 0 HE2 TYR A 32 -1.805 -18.832 -17.605 1.00 1.00 H new ATOM 0 HH TYR A 32 -3.122 -20.535 -15.111 1.00 1.00 H new ATOM 527 N ASN A 33 -1.468 -22.970 -21.183 1.00 1.00 N ATOM 528 CA ASN A 33 -2.480 -22.424 -22.071 1.00 1.00 C ATOM 529 C ASN A 33 -3.436 -21.542 -21.267 1.00 1.00 C ATOM 530 O ASN A 33 -3.998 -22.031 -20.276 1.00 1.00 O ATOM 531 CB ASN A 33 -3.300 -23.539 -22.723 1.00 1.00 C ATOM 532 CG ASN A 33 -4.210 -22.980 -23.820 1.00 1.00 C ATOM 533 OD1 ASN A 33 -4.223 -21.795 -24.107 1.00 1.00 O ATOM 534 ND2 ASN A 33 -4.967 -23.898 -24.414 1.00 1.00 N ATOM 0 H ASN A 33 -1.737 -23.843 -20.729 1.00 1.00 H new ATOM 0 HA ASN A 33 -1.974 -21.849 -22.846 1.00 1.00 H new ATOM 0 HB2 ASN A 33 -2.631 -24.287 -23.147 1.00 1.00 H new ATOM 0 HB3 ASN A 33 -3.903 -24.042 -21.967 1.00 1.00 H new ATOM 0 HD21 ASN A 33 -5.608 -23.626 -25.159 1.00 1.00 H new ATOM 0 HD22 ASN A 33 -4.906 -24.874 -24.124 1.00 1.00 H new ATOM 541 N ASN A 34 -3.599 -20.279 -21.701 1.00 1.00 N ATOM 542 CA ASN A 34 -4.479 -19.340 -21.025 1.00 1.00 C ATOM 543 C ASN A 34 -5.928 -19.808 -21.176 1.00 1.00 C ATOM 544 O ASN A 34 -6.750 -19.471 -20.311 1.00 1.00 O ATOM 545 CB ASN A 34 -4.368 -17.943 -21.638 1.00 1.00 C ATOM 546 CG ASN A 34 -5.564 -17.074 -21.244 1.00 1.00 C ATOM 547 OD1 ASN A 34 -6.570 -17.008 -21.932 1.00 1.00 O ATOM 548 ND2 ASN A 34 -5.401 -16.414 -20.101 1.00 1.00 N ATOM 0 H ASN A 34 -3.127 -19.895 -22.520 1.00 1.00 H new ATOM 0 HA ASN A 34 -4.186 -19.298 -19.976 1.00 1.00 H new ATOM 0 HB2 ASN A 34 -3.444 -17.469 -21.306 1.00 1.00 H new ATOM 0 HB3 ASN A 34 -4.313 -18.022 -22.724 1.00 1.00 H new ATOM 0 HD21 ASN A 34 -6.143 -15.808 -19.752 1.00 1.00 H new ATOM 0 HD22 ASN A 34 -4.534 -16.514 -19.574 1.00 1.00 H new ATOM 555 N GLN A 35 -6.209 -20.562 -22.254 1.00 1.00 N ATOM 556 CA GLN A 35 -7.546 -21.069 -22.512 1.00 1.00 C ATOM 557 C GLN A 35 -8.091 -21.727 -21.243 1.00 1.00 C ATOM 558 O GLN A 35 -9.236 -21.432 -20.871 1.00 1.00 O ATOM 559 CB GLN A 35 -7.558 -22.050 -23.686 1.00 1.00 C ATOM 560 CG GLN A 35 -8.928 -22.076 -24.366 1.00 1.00 C ATOM 561 CD GLN A 35 -9.809 -23.183 -23.783 1.00 1.00 C ATOM 562 OE1 GLN A 35 -10.899 -22.948 -23.287 1.00 1.00 O ATOM 563 NE2 GLN A 35 -9.277 -24.399 -23.870 1.00 1.00 N ATOM 0 H GLN A 35 -5.518 -20.828 -22.955 1.00 1.00 H new ATOM 0 HA GLN A 35 -8.189 -20.234 -22.789 1.00 1.00 H new ATOM 0 HB2 GLN A 35 -6.794 -21.765 -24.410 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -7.305 -23.049 -23.332 1.00 1.00 H new ATOM 0 HG2 GLN A 35 -9.419 -21.111 -24.240 1.00 1.00 H new ATOM 0 HG3 GLN A 35 -8.803 -22.232 -25.438 1.00 1.00 H new ATOM 0 HE21 GLN A 35 -8.360 -24.525 -24.298 1.00 1.00 H new ATOM 0 HE22 GLN A 35 -9.787 -25.206 -23.509 1.00 1.00 H new ATOM 572 N THR A 36 -7.275 -22.591 -20.613 1.00 1.00 N ATOM 573 CA THR A 36 -7.673 -23.281 -19.398 1.00 1.00 C ATOM 574 C THR A 36 -6.809 -22.795 -18.234 1.00 1.00 C ATOM 575 O THR A 36 -6.691 -23.527 -17.240 1.00 1.00 O ATOM 576 CB THR A 36 -7.576 -24.789 -19.639 1.00 1.00 C ATOM 577 OG1 THR A 36 -6.178 -25.029 -19.776 1.00 1.00 O ATOM 578 CG2 THR A 36 -8.160 -25.205 -20.990 1.00 1.00 C ATOM 0 H THR A 36 -6.335 -22.821 -20.936 1.00 1.00 H new ATOM 0 HA THR A 36 -8.707 -23.060 -19.132 1.00 1.00 H new ATOM 0 HB THR A 36 -8.096 -25.318 -18.841 1.00 1.00 H new ATOM 0 HG1 THR A 36 -5.884 -25.656 -19.082 1.00 1.00 H new ATOM 0 HG21 THR A 36 -8.066 -26.284 -21.110 1.00 1.00 H new ATOM 0 HG22 THR A 36 -9.213 -24.926 -21.033 1.00 1.00 H new ATOM 0 HG23 THR A 36 -7.618 -24.702 -21.791 1.00 1.00 H new ATOM 586 N LYS A 37 -6.230 -21.589 -18.376 1.00 1.00 N ATOM 587 CA LYS A 37 -5.385 -21.013 -17.343 1.00 1.00 C ATOM 588 C LYS A 37 -4.649 -22.135 -16.608 1.00 1.00 C ATOM 589 O LYS A 37 -4.701 -22.163 -15.370 1.00 1.00 O ATOM 590 CB LYS A 37 -6.207 -20.111 -16.421 1.00 1.00 C ATOM 591 CG LYS A 37 -6.831 -18.952 -17.201 1.00 1.00 C ATOM 592 CD LYS A 37 -7.049 -17.736 -16.298 1.00 1.00 C ATOM 593 CE LYS A 37 -8.009 -18.069 -15.154 1.00 1.00 C ATOM 594 NZ LYS A 37 -9.357 -18.347 -15.676 1.00 1.00 N ATOM 0 H LYS A 37 -6.339 -21.002 -19.203 1.00 1.00 H new ATOM 0 HA LYS A 37 -4.625 -20.370 -17.787 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -6.992 -20.695 -15.941 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -5.570 -19.719 -15.628 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -6.183 -18.679 -18.034 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -7.783 -19.267 -17.628 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -6.094 -17.404 -15.891 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -7.450 -16.910 -16.885 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -7.641 -18.934 -14.603 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -8.049 -17.237 -14.451 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -10.041 -18.337 -14.893 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -9.616 -17.619 -16.372 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -9.367 -19.282 -16.132 1.00 1.00 H new ATOM 608 N GLN A 38 -3.990 -23.024 -17.373 1.00 1.00 N ATOM 609 CA GLN A 38 -3.251 -24.136 -16.798 1.00 1.00 C ATOM 610 C GLN A 38 -2.214 -24.630 -17.808 1.00 1.00 C ATOM 611 O GLN A 38 -1.861 -23.862 -18.714 1.00 1.00 O ATOM 612 CB GLN A 38 -4.186 -25.270 -16.372 1.00 1.00 C ATOM 613 CG GLN A 38 -3.840 -25.767 -14.967 1.00 1.00 C ATOM 614 CD GLN A 38 -5.077 -25.770 -14.066 1.00 1.00 C ATOM 615 OE1 GLN A 38 -5.101 -25.180 -12.998 1.00 1.00 O ATOM 616 NE2 GLN A 38 -6.101 -26.464 -14.555 1.00 1.00 N ATOM 0 H GLN A 38 -3.961 -22.984 -18.392 1.00 1.00 H new ATOM 0 HA GLN A 38 -2.741 -23.790 -15.899 1.00 1.00 H new ATOM 0 HB2 GLN A 38 -5.219 -24.922 -16.395 1.00 1.00 H new ATOM 0 HB3 GLN A 38 -4.111 -26.094 -17.082 1.00 1.00 H new ATOM 0 HG2 GLN A 38 -3.426 -26.774 -15.025 1.00 1.00 H new ATOM 0 HG3 GLN A 38 -3.070 -25.130 -14.531 1.00 1.00 H new ATOM 0 HE21 GLN A 38 -6.014 -26.934 -15.456 1.00 1.00 H new ATOM 0 HE22 GLN A 38 -6.973 -26.526 -14.029 1.00 1.00 H new ATOM 625 N CYS A 39 -1.754 -25.882 -17.635 1.00 1.00 N ATOM 626 CA CYS A 39 -0.767 -26.470 -18.525 1.00 1.00 C ATOM 627 C CYS A 39 -1.433 -27.556 -19.372 1.00 1.00 C ATOM 628 O CYS A 39 -1.999 -28.494 -18.790 1.00 1.00 O ATOM 629 CB CYS A 39 0.430 -27.011 -17.741 1.00 1.00 C ATOM 630 SG CYS A 39 1.580 -25.742 -17.133 1.00 1.00 S ATOM 0 H CYS A 39 -2.058 -26.498 -16.881 1.00 1.00 H new ATOM 0 HA CYS A 39 -0.379 -25.700 -19.192 1.00 1.00 H new ATOM 0 HB2 CYS A 39 0.060 -27.584 -16.890 1.00 1.00 H new ATOM 0 HB3 CYS A 39 0.980 -27.704 -18.377 1.00 1.00 H new ATOM 636 N GLU A 40 -1.355 -27.412 -20.707 1.00 1.00 N ATOM 637 CA GLU A 40 -1.946 -28.374 -21.621 1.00 1.00 C ATOM 638 C GLU A 40 -0.834 -29.090 -22.391 1.00 1.00 C ATOM 639 O GLU A 40 0.183 -28.447 -22.690 1.00 1.00 O ATOM 640 CB GLU A 40 -2.934 -27.706 -22.579 1.00 1.00 C ATOM 641 CG GLU A 40 -4.328 -27.615 -21.955 1.00 1.00 C ATOM 642 CD GLU A 40 -4.615 -26.196 -21.460 1.00 1.00 C ATOM 643 OE1 GLU A 40 -4.007 -25.747 -20.477 1.00 1.00 O ATOM 644 OE2 GLU A 40 -5.506 -25.552 -22.137 1.00 1.00 O ATOM 0 H GLU A 40 -0.885 -26.632 -21.166 1.00 1.00 H new ATOM 0 HA GLU A 40 -2.511 -29.105 -21.042 1.00 1.00 H new ATOM 0 HB2 GLU A 40 -2.580 -26.707 -22.834 1.00 1.00 H new ATOM 0 HB3 GLU A 40 -2.984 -28.273 -23.509 1.00 1.00 H new ATOM 0 HG2 GLU A 40 -5.079 -27.907 -22.689 1.00 1.00 H new ATOM 0 HG3 GLU A 40 -4.405 -28.316 -21.124 1.00 1.00 H new ATOM 651 N ARG A 41 -1.046 -30.383 -22.691 1.00 1.00 N ATOM 652 CA ARG A 41 -0.068 -31.175 -23.419 1.00 1.00 C ATOM 653 C ARG A 41 -0.095 -30.778 -24.896 1.00 1.00 C ATOM 654 O ARG A 41 -1.156 -30.347 -25.372 1.00 1.00 O ATOM 655 CB ARG A 41 -0.351 -32.673 -23.295 1.00 1.00 C ATOM 656 CG ARG A 41 0.747 -33.374 -22.491 1.00 1.00 C ATOM 657 CD ARG A 41 0.196 -34.605 -21.768 1.00 1.00 C ATOM 658 NE ARG A 41 1.189 -35.702 -21.810 1.00 1.00 N ATOM 659 CZ ARG A 41 0.993 -36.920 -21.262 1.00 1.00 C ATOM 660 NH1 ARG A 41 -0.165 -37.173 -20.637 1.00 1.00 N ATOM 661 NH2 ARG A 41 1.943 -37.862 -21.342 1.00 1.00 N ATOM 0 H ARG A 41 -1.891 -30.893 -22.435 1.00 1.00 H new ATOM 0 HA ARG A 41 0.914 -30.979 -22.989 1.00 1.00 H new ATOM 0 HB2 ARG A 41 -1.315 -32.826 -22.810 1.00 1.00 H new ATOM 0 HB3 ARG A 41 -0.419 -33.117 -24.288 1.00 1.00 H new ATOM 0 HG2 ARG A 41 1.557 -33.671 -23.157 1.00 1.00 H new ATOM 0 HG3 ARG A 41 1.170 -32.680 -21.765 1.00 1.00 H new ATOM 0 HD2 ARG A 41 -0.039 -34.355 -20.733 1.00 1.00 H new ATOM 0 HD3 ARG A 41 -0.734 -34.927 -22.237 1.00 1.00 H new ATOM 0 HE ARG A 41 2.076 -35.527 -22.282 1.00 1.00 H new ATOM 0 HH11 ARG A 41 -0.883 -36.450 -20.581 1.00 1.00 H new ATOM 0 HH12 ARG A 41 -0.329 -38.088 -20.218 1.00 1.00 H new ATOM 0 HH21 ARG A 41 2.822 -37.661 -21.819 1.00 1.00 H new ATOM 0 HH22 ARG A 41 1.787 -38.780 -20.925 1.00 1.00 H new ATOM 675 N PHE A 42 1.052 -30.929 -25.582 1.00 1.00 N ATOM 676 CA PHE A 42 1.158 -30.590 -26.991 1.00 1.00 C ATOM 677 C PHE A 42 2.520 -31.044 -27.519 1.00 1.00 C ATOM 678 O PHE A 42 3.338 -31.514 -26.715 1.00 1.00 O ATOM 679 CB PHE A 42 0.985 -29.067 -27.160 1.00 1.00 C ATOM 680 CG PHE A 42 2.266 -28.261 -26.995 1.00 1.00 C ATOM 681 CD1 PHE A 42 2.958 -28.274 -25.761 1.00 1.00 C ATOM 682 CD2 PHE A 42 2.776 -27.500 -28.073 1.00 1.00 C ATOM 683 CE1 PHE A 42 4.147 -27.531 -25.607 1.00 1.00 C ATOM 684 CE2 PHE A 42 3.966 -26.757 -27.917 1.00 1.00 C ATOM 685 CZ PHE A 42 4.651 -26.772 -26.684 1.00 1.00 C ATOM 0 H PHE A 42 1.915 -31.286 -25.171 1.00 1.00 H new ATOM 0 HA PHE A 42 0.378 -31.096 -27.560 1.00 1.00 H new ATOM 0 HB2 PHE A 42 0.572 -28.869 -28.149 1.00 1.00 H new ATOM 0 HB3 PHE A 42 0.254 -28.715 -26.433 1.00 1.00 H new ATOM 0 HD1 PHE A 42 2.575 -28.854 -24.935 1.00 1.00 H new ATOM 0 HD2 PHE A 42 2.253 -27.487 -29.018 1.00 1.00 H new ATOM 0 HE1 PHE A 42 4.672 -27.543 -24.663 1.00 1.00 H new ATOM 0 HE2 PHE A 42 4.352 -26.177 -28.742 1.00 1.00 H new ATOM 0 HZ PHE A 42 5.561 -26.203 -26.565 1.00 1.00 H new ATOM 695 N LYS A 43 2.733 -30.896 -28.839 1.00 1.00 N ATOM 696 CA LYS A 43 3.984 -31.289 -29.466 1.00 1.00 C ATOM 697 C LYS A 43 4.876 -30.056 -29.629 1.00 1.00 C ATOM 698 O LYS A 43 4.469 -28.971 -29.189 1.00 1.00 O ATOM 699 CB LYS A 43 3.716 -32.032 -30.776 1.00 1.00 C ATOM 700 CG LYS A 43 2.257 -31.874 -31.208 1.00 1.00 C ATOM 701 CD LYS A 43 1.333 -32.732 -30.341 1.00 1.00 C ATOM 702 CE LYS A 43 0.311 -33.477 -31.202 1.00 1.00 C ATOM 703 NZ LYS A 43 -0.683 -34.154 -30.353 1.00 1.00 N ATOM 0 H LYS A 43 2.046 -30.505 -29.484 1.00 1.00 H new ATOM 0 HA LYS A 43 4.524 -31.993 -28.832 1.00 1.00 H new ATOM 0 HB2 LYS A 43 4.373 -31.649 -31.556 1.00 1.00 H new ATOM 0 HB3 LYS A 43 3.950 -33.089 -30.653 1.00 1.00 H new ATOM 0 HG2 LYS A 43 1.963 -30.827 -31.133 1.00 1.00 H new ATOM 0 HG3 LYS A 43 2.150 -32.161 -32.254 1.00 1.00 H new ATOM 0 HD2 LYS A 43 1.925 -33.448 -29.771 1.00 1.00 H new ATOM 0 HD3 LYS A 43 0.815 -32.100 -29.620 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -0.190 -32.776 -31.870 1.00 1.00 H new ATOM 0 HE3 LYS A 43 0.820 -34.208 -31.830 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -1.369 -34.655 -30.953 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -0.202 -34.837 -29.733 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -1.181 -33.449 -29.772 1.00 1.00 H new ATOM 717 N TYR A 44 6.056 -30.245 -30.247 1.00 1.00 N ATOM 718 CA TYR A 44 6.951 -29.115 -30.430 1.00 1.00 C ATOM 719 C TYR A 44 7.815 -29.349 -31.671 1.00 1.00 C ATOM 720 O TYR A 44 8.854 -30.012 -31.541 1.00 1.00 O ATOM 721 CB TYR A 44 7.807 -28.918 -29.165 1.00 1.00 C ATOM 722 CG TYR A 44 8.847 -27.811 -29.272 1.00 1.00 C ATOM 723 CD1 TYR A 44 8.734 -26.831 -30.285 1.00 1.00 C ATOM 724 CD2 TYR A 44 9.925 -27.751 -28.359 1.00 1.00 C ATOM 725 CE1 TYR A 44 9.693 -25.801 -30.386 1.00 1.00 C ATOM 726 CE2 TYR A 44 10.884 -26.721 -28.460 1.00 1.00 C ATOM 727 CZ TYR A 44 10.769 -25.745 -29.475 1.00 1.00 C ATOM 728 OH TYR A 44 11.696 -24.747 -29.577 1.00 1.00 O ATOM 0 H TYR A 44 6.393 -31.136 -30.611 1.00 1.00 H new ATOM 0 HA TYR A 44 6.377 -28.202 -30.585 1.00 1.00 H new ATOM 0 HB2 TYR A 44 7.147 -28.699 -28.326 1.00 1.00 H new ATOM 0 HB3 TYR A 44 8.315 -29.855 -28.936 1.00 1.00 H new ATOM 0 HD1 TYR A 44 7.911 -26.871 -30.983 1.00 1.00 H new ATOM 0 HD2 TYR A 44 10.015 -28.496 -27.582 1.00 1.00 H new ATOM 0 HE1 TYR A 44 9.603 -25.055 -31.161 1.00 1.00 H new ATOM 0 HE2 TYR A 44 11.706 -26.679 -27.761 1.00 1.00 H new ATOM 0 HH TYR A 44 12.370 -24.853 -28.873 1.00 1.00 H new ATOM 789 N ASN A 50 7.757 -21.140 -29.561 1.00 1.00 N ATOM 790 CA ASN A 50 7.925 -20.173 -28.489 1.00 1.00 C ATOM 791 C ASN A 50 8.682 -20.828 -27.332 1.00 1.00 C ATOM 792 O ASN A 50 9.226 -21.925 -27.528 1.00 1.00 O ATOM 793 CB ASN A 50 6.571 -19.698 -27.959 1.00 1.00 C ATOM 794 CG ASN A 50 5.809 -20.845 -27.294 1.00 1.00 C ATOM 795 OD1 ASN A 50 6.373 -21.849 -26.891 1.00 1.00 O ATOM 796 ND2 ASN A 50 4.498 -20.642 -27.203 1.00 1.00 N ATOM 0 HA ASN A 50 8.476 -19.321 -28.887 1.00 1.00 H new ATOM 0 HB2 ASN A 50 6.720 -18.892 -27.241 1.00 1.00 H new ATOM 0 HB3 ASN A 50 5.979 -19.290 -28.778 1.00 1.00 H new ATOM 0 HD21 ASN A 50 3.901 -21.350 -26.776 1.00 1.00 H new ATOM 0 HD22 ASN A 50 4.090 -19.778 -27.561 1.00 1.00 H new ATOM 803 N MET A 51 8.702 -20.155 -26.168 1.00 1.00 N ATOM 804 CA MET A 51 9.386 -20.668 -24.993 1.00 1.00 C ATOM 805 C MET A 51 8.417 -21.525 -24.177 1.00 1.00 C ATOM 806 O MET A 51 8.886 -22.323 -23.353 1.00 1.00 O ATOM 807 CB MET A 51 9.898 -19.513 -24.129 1.00 1.00 C ATOM 808 CG MET A 51 10.296 -18.316 -24.994 1.00 1.00 C ATOM 809 SD MET A 51 11.303 -18.872 -26.401 1.00 1.00 S ATOM 810 CE MET A 51 12.878 -19.193 -25.554 1.00 1.00 C ATOM 0 H MET A 51 8.247 -19.253 -26.027 1.00 1.00 H new ATOM 0 HA MET A 51 10.235 -21.272 -25.312 1.00 1.00 H new ATOM 0 HB2 MET A 51 9.125 -19.214 -23.421 1.00 1.00 H new ATOM 0 HB3 MET A 51 10.756 -19.844 -23.544 1.00 1.00 H new ATOM 0 HG2 MET A 51 9.403 -17.805 -25.355 1.00 1.00 H new ATOM 0 HG3 MET A 51 10.856 -17.596 -24.397 1.00 1.00 H new ATOM 0 HE1 MET A 51 13.615 -19.544 -26.276 1.00 1.00 H new ATOM 0 HE2 MET A 51 13.235 -18.274 -25.089 1.00 1.00 H new ATOM 0 HE3 MET A 51 12.730 -19.953 -24.787 1.00 1.00 H new ATOM 820 N ASN A 52 7.106 -21.346 -24.418 1.00 1.00 N ATOM 821 CA ASN A 52 6.083 -22.098 -23.711 1.00 1.00 C ATOM 822 C ASN A 52 6.098 -23.550 -24.194 1.00 1.00 C ATOM 823 O ASN A 52 5.081 -23.999 -24.743 1.00 1.00 O ATOM 824 CB ASN A 52 4.691 -21.524 -23.981 1.00 1.00 C ATOM 825 CG ASN A 52 3.733 -21.843 -22.832 1.00 1.00 C ATOM 826 OD1 ASN A 52 4.135 -22.192 -21.734 1.00 1.00 O ATOM 827 ND2 ASN A 52 2.448 -21.705 -23.144 1.00 1.00 N ATOM 0 H ASN A 52 6.741 -20.682 -25.101 1.00 1.00 H new ATOM 0 HA ASN A 52 6.297 -22.037 -22.644 1.00 1.00 H new ATOM 0 HB2 ASN A 52 4.759 -20.444 -24.113 1.00 1.00 H new ATOM 0 HB3 ASN A 52 4.298 -21.935 -24.911 1.00 1.00 H new ATOM 0 HD21 ASN A 52 1.730 -21.895 -22.445 1.00 1.00 H new ATOM 0 HD22 ASN A 52 2.180 -21.409 -24.083 1.00 1.00 H new ATOM 834 N ASN A 53 7.231 -24.243 -23.984 1.00 1.00 N ATOM 835 CA ASN A 53 7.373 -25.629 -24.395 1.00 1.00 C ATOM 836 C ASN A 53 8.091 -26.412 -23.293 1.00 1.00 C ATOM 837 O ASN A 53 9.320 -26.550 -23.372 1.00 1.00 O ATOM 838 CB ASN A 53 8.206 -25.742 -25.674 1.00 1.00 C ATOM 839 CG ASN A 53 8.787 -27.149 -25.827 1.00 1.00 C ATOM 840 OD1 ASN A 53 8.088 -28.111 -26.103 1.00 1.00 O ATOM 841 ND2 ASN A 53 10.101 -27.216 -25.634 1.00 1.00 N ATOM 0 H ASN A 53 8.057 -23.854 -23.530 1.00 1.00 H new ATOM 0 HA ASN A 53 6.376 -26.031 -24.577 1.00 1.00 H new ATOM 0 HB2 ASN A 53 7.586 -25.505 -26.538 1.00 1.00 H new ATOM 0 HB3 ASN A 53 9.014 -25.011 -25.652 1.00 1.00 H new ATOM 0 HD21 ASN A 53 10.583 -28.111 -25.714 1.00 1.00 H new ATOM 0 HD22 ASN A 53 10.627 -26.372 -25.406 1.00 1.00 H new ATOM 848 N PHE A 54 7.322 -26.902 -22.304 1.00 1.00 N ATOM 849 CA PHE A 54 7.880 -27.663 -21.200 1.00 1.00 C ATOM 850 C PHE A 54 7.878 -29.150 -21.558 1.00 1.00 C ATOM 851 O PHE A 54 7.318 -29.503 -22.606 1.00 1.00 O ATOM 852 CB PHE A 54 7.043 -27.404 -19.931 1.00 1.00 C ATOM 853 CG PHE A 54 6.992 -25.948 -19.490 1.00 1.00 C ATOM 854 CD1 PHE A 54 8.007 -25.425 -18.654 1.00 1.00 C ATOM 855 CD2 PHE A 54 5.937 -25.108 -19.916 1.00 1.00 C ATOM 856 CE1 PHE A 54 7.964 -24.074 -18.247 1.00 1.00 C ATOM 857 CE2 PHE A 54 5.896 -23.758 -19.509 1.00 1.00 C ATOM 858 CZ PHE A 54 6.909 -23.241 -18.674 1.00 1.00 C ATOM 0 H PHE A 54 6.311 -26.778 -22.258 1.00 1.00 H new ATOM 0 HA PHE A 54 8.908 -27.353 -21.010 1.00 1.00 H new ATOM 0 HB2 PHE A 54 6.025 -27.753 -20.106 1.00 1.00 H new ATOM 0 HB3 PHE A 54 7.449 -28.003 -19.116 1.00 1.00 H new ATOM 0 HD1 PHE A 54 8.816 -26.061 -18.327 1.00 1.00 H new ATOM 0 HD2 PHE A 54 5.160 -25.501 -20.555 1.00 1.00 H new ATOM 0 HE1 PHE A 54 8.740 -23.678 -17.608 1.00 1.00 H new ATOM 0 HE2 PHE A 54 5.089 -23.120 -19.837 1.00 1.00 H new ATOM 0 HZ PHE A 54 6.877 -22.208 -18.362 1.00 1.00 H new ATOM 868 N GLU A 55 8.494 -29.978 -20.696 1.00 1.00 N ATOM 869 CA GLU A 55 8.562 -31.412 -20.920 1.00 1.00 C ATOM 870 C GLU A 55 7.550 -32.115 -20.013 1.00 1.00 C ATOM 871 O GLU A 55 6.887 -33.051 -20.483 1.00 1.00 O ATOM 872 CB GLU A 55 9.975 -31.951 -20.687 1.00 1.00 C ATOM 873 CG GLU A 55 10.985 -31.257 -21.603 1.00 1.00 C ATOM 874 CD GLU A 55 12.263 -32.086 -21.737 1.00 1.00 C ATOM 875 OE1 GLU A 55 12.717 -32.572 -20.632 1.00 1.00 O ATOM 876 OE2 GLU A 55 12.784 -32.247 -22.851 1.00 1.00 O ATOM 0 H GLU A 55 8.950 -29.666 -19.838 1.00 1.00 H new ATOM 0 HA GLU A 55 8.313 -31.615 -21.962 1.00 1.00 H new ATOM 0 HB2 GLU A 55 10.259 -31.799 -19.646 1.00 1.00 H new ATOM 0 HB3 GLU A 55 9.993 -33.026 -20.869 1.00 1.00 H new ATOM 0 HG2 GLU A 55 10.543 -31.103 -22.587 1.00 1.00 H new ATOM 0 HG3 GLU A 55 11.226 -30.272 -21.204 1.00 1.00 H new ATOM 883 N THR A 56 7.453 -31.658 -18.752 1.00 1.00 N ATOM 884 CA THR A 56 6.530 -32.239 -17.791 1.00 1.00 C ATOM 885 C THR A 56 5.502 -31.184 -17.376 1.00 1.00 C ATOM 886 O THR A 56 5.803 -29.988 -17.497 1.00 1.00 O ATOM 887 CB THR A 56 7.336 -32.797 -16.616 1.00 1.00 C ATOM 888 OG1 THR A 56 8.447 -31.912 -16.505 1.00 1.00 O ATOM 889 CG2 THR A 56 7.970 -34.153 -16.933 1.00 1.00 C ATOM 0 H THR A 56 8.009 -30.886 -18.385 1.00 1.00 H new ATOM 0 HA THR A 56 5.969 -33.068 -18.223 1.00 1.00 H new ATOM 0 HB THR A 56 6.688 -32.894 -15.745 1.00 1.00 H new ATOM 0 HG1 THR A 56 9.022 -32.200 -15.765 1.00 1.00 H new ATOM 0 HG21 THR A 56 8.530 -34.504 -16.066 1.00 1.00 H new ATOM 0 HG22 THR A 56 7.188 -34.873 -17.175 1.00 1.00 H new ATOM 0 HG23 THR A 56 8.644 -34.050 -17.783 1.00 1.00 H new ATOM 897 N LEU A 57 4.329 -31.641 -16.903 1.00 1.00 N ATOM 898 CA LEU A 57 3.269 -30.744 -16.476 1.00 1.00 C ATOM 899 C LEU A 57 3.732 -29.967 -15.241 1.00 1.00 C ATOM 900 O LEU A 57 3.647 -28.730 -15.257 1.00 1.00 O ATOM 901 CB LEU A 57 1.966 -31.516 -16.263 1.00 1.00 C ATOM 902 CG LEU A 57 0.698 -30.670 -16.131 1.00 1.00 C ATOM 903 CD1 LEU A 57 0.179 -30.242 -17.505 1.00 1.00 C ATOM 904 CD2 LEU A 57 -0.370 -31.405 -15.318 1.00 1.00 C ATOM 0 H LEU A 57 4.102 -32.631 -16.811 1.00 1.00 H new ATOM 0 HA LEU A 57 3.054 -30.011 -17.254 1.00 1.00 H new ATOM 0 HB2 LEU A 57 1.834 -32.204 -17.098 1.00 1.00 H new ATOM 0 HB3 LEU A 57 2.069 -32.123 -15.363 1.00 1.00 H new ATOM 0 HG LEU A 57 0.949 -29.761 -15.584 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -0.723 -29.642 -17.383 1.00 1.00 H new ATOM 0 HD12 LEU A 57 0.941 -29.652 -18.014 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -0.052 -31.127 -18.099 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -1.261 -30.782 -15.239 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -0.625 -32.341 -15.815 1.00 1.00 H new ATOM 0 HD23 LEU A 57 0.014 -31.617 -14.320 1.00 1.00 H new ATOM 916 N GLU A 58 4.204 -30.695 -14.214 1.00 1.00 N ATOM 917 CA GLU A 58 4.674 -30.078 -12.985 1.00 1.00 C ATOM 918 C GLU A 58 5.729 -29.022 -13.321 1.00 1.00 C ATOM 919 O GLU A 58 5.785 -28.001 -12.619 1.00 1.00 O ATOM 920 CB GLU A 58 5.232 -31.119 -12.012 1.00 1.00 C ATOM 921 CG GLU A 58 4.802 -30.812 -10.575 1.00 1.00 C ATOM 922 CD GLU A 58 5.360 -31.852 -9.602 1.00 1.00 C ATOM 923 OE1 GLU A 58 6.513 -32.285 -9.751 1.00 1.00 O ATOM 924 OE2 GLU A 58 4.551 -32.210 -8.663 1.00 1.00 O ATOM 0 H GLU A 58 4.266 -31.713 -14.222 1.00 1.00 H new ATOM 0 HA GLU A 58 3.830 -29.599 -12.489 1.00 1.00 H new ATOM 0 HB2 GLU A 58 4.882 -32.112 -12.296 1.00 1.00 H new ATOM 0 HB3 GLU A 58 6.320 -31.134 -12.075 1.00 1.00 H new ATOM 0 HG2 GLU A 58 5.151 -29.819 -10.291 1.00 1.00 H new ATOM 0 HG3 GLU A 58 3.714 -30.797 -10.512 1.00 1.00 H new ATOM 931 N GLU A 59 6.530 -29.282 -14.369 1.00 1.00 N ATOM 932 CA GLU A 59 7.570 -28.360 -14.791 1.00 1.00 C ATOM 933 C GLU A 59 6.925 -27.090 -15.348 1.00 1.00 C ATOM 934 O GLU A 59 7.354 -25.992 -14.963 1.00 1.00 O ATOM 935 CB GLU A 59 8.503 -28.999 -15.823 1.00 1.00 C ATOM 936 CG GLU A 59 9.011 -27.957 -16.821 1.00 1.00 C ATOM 937 CD GLU A 59 9.813 -26.863 -16.113 1.00 1.00 C ATOM 938 OE1 GLU A 59 9.765 -26.901 -14.824 1.00 1.00 O ATOM 939 OE2 GLU A 59 10.443 -26.027 -16.777 1.00 1.00 O ATOM 0 H GLU A 59 6.467 -30.129 -14.934 1.00 1.00 H new ATOM 0 HA GLU A 59 8.181 -28.103 -13.926 1.00 1.00 H new ATOM 0 HB2 GLU A 59 9.348 -29.464 -15.316 1.00 1.00 H new ATOM 0 HB3 GLU A 59 7.975 -29.791 -16.355 1.00 1.00 H new ATOM 0 HG2 GLU A 59 9.635 -28.442 -17.572 1.00 1.00 H new ATOM 0 HG3 GLU A 59 8.167 -27.511 -17.347 1.00 1.00 H new ATOM 946 N CYS A 60 5.923 -27.260 -16.229 1.00 1.00 N ATOM 947 CA CYS A 60 5.227 -26.135 -16.831 1.00 1.00 C ATOM 948 C CYS A 60 4.472 -25.367 -15.744 1.00 1.00 C ATOM 949 O CYS A 60 4.252 -24.159 -15.920 1.00 1.00 O ATOM 950 CB CYS A 60 4.297 -26.597 -17.954 1.00 1.00 C ATOM 951 SG CYS A 60 3.061 -25.371 -18.474 1.00 1.00 S ATOM 0 H CYS A 60 5.585 -28.173 -16.533 1.00 1.00 H new ATOM 0 HA CYS A 60 5.955 -25.464 -17.287 1.00 1.00 H new ATOM 0 HB2 CYS A 60 4.902 -26.871 -18.818 1.00 1.00 H new ATOM 0 HB3 CYS A 60 3.779 -27.499 -17.629 1.00 1.00 H new ATOM 957 N LYS A 61 4.097 -26.070 -14.661 1.00 1.00 N ATOM 958 CA LYS A 61 3.374 -25.458 -13.559 1.00 1.00 C ATOM 959 C LYS A 61 4.362 -24.717 -12.655 1.00 1.00 C ATOM 960 O LYS A 61 4.119 -23.538 -12.358 1.00 1.00 O ATOM 961 CB LYS A 61 2.534 -26.505 -12.823 1.00 1.00 C ATOM 962 CG LYS A 61 1.642 -27.275 -13.798 1.00 1.00 C ATOM 963 CD LYS A 61 0.198 -27.330 -13.294 1.00 1.00 C ATOM 964 CE LYS A 61 -0.789 -27.027 -14.423 1.00 1.00 C ATOM 965 NZ LYS A 61 -1.393 -28.271 -14.927 1.00 1.00 N ATOM 0 H LYS A 61 4.288 -27.064 -14.536 1.00 1.00 H new ATOM 0 HA LYS A 61 2.666 -24.718 -13.932 1.00 1.00 H new ATOM 0 HB2 LYS A 61 3.190 -27.200 -12.298 1.00 1.00 H new ATOM 0 HB3 LYS A 61 1.917 -26.017 -12.068 1.00 1.00 H new ATOM 0 HG2 LYS A 61 1.671 -26.798 -14.778 1.00 1.00 H new ATOM 0 HG3 LYS A 61 2.025 -28.287 -13.925 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -0.009 -28.317 -12.880 1.00 1.00 H new ATOM 0 HD3 LYS A 61 0.064 -26.611 -12.486 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -1.569 -26.357 -14.062 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -0.276 -26.510 -15.234 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -1.550 -28.190 -15.952 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -0.754 -29.069 -14.737 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -2.302 -28.434 -14.449 1.00 1.00 H new ATOM 979 N ASN A 62 5.438 -25.411 -12.243 1.00 1.00 N ATOM 980 CA ASN A 62 6.450 -24.822 -11.382 1.00 1.00 C ATOM 981 C ASN A 62 6.937 -23.509 -11.998 1.00 1.00 C ATOM 982 O ASN A 62 7.116 -22.537 -11.250 1.00 1.00 O ATOM 983 CB ASN A 62 7.656 -25.752 -11.235 1.00 1.00 C ATOM 984 CG ASN A 62 8.299 -25.602 -9.855 1.00 1.00 C ATOM 985 OD1 ASN A 62 7.946 -26.277 -8.901 1.00 1.00 O ATOM 986 ND2 ASN A 62 9.259 -24.684 -9.801 1.00 1.00 N ATOM 0 H ASN A 62 5.619 -26.382 -12.499 1.00 1.00 H new ATOM 0 HA ASN A 62 6.003 -24.653 -10.402 1.00 1.00 H new ATOM 0 HB2 ASN A 62 7.343 -26.785 -11.384 1.00 1.00 H new ATOM 0 HB3 ASN A 62 8.390 -25.527 -12.009 1.00 1.00 H new ATOM 0 HD21 ASN A 62 9.749 -24.510 -8.924 1.00 1.00 H new ATOM 0 HD22 ASN A 62 9.505 -24.154 -10.637 1.00 1.00 H new ATOM 993 N ILE A 63 7.137 -23.506 -13.328 1.00 1.00 N ATOM 994 CA ILE A 63 7.599 -22.323 -14.034 1.00 1.00 C ATOM 995 C ILE A 63 6.442 -21.331 -14.169 1.00 1.00 C ATOM 996 O ILE A 63 6.605 -20.174 -13.754 1.00 1.00 O ATOM 997 CB ILE A 63 8.235 -22.711 -15.371 1.00 1.00 C ATOM 998 CG1 ILE A 63 9.666 -23.213 -15.171 1.00 1.00 C ATOM 999 CG2 ILE A 63 8.167 -21.552 -16.367 1.00 1.00 C ATOM 1000 CD1 ILE A 63 9.776 -24.069 -13.908 1.00 1.00 C ATOM 0 H ILE A 63 6.982 -24.317 -13.927 1.00 1.00 H new ATOM 0 HA ILE A 63 8.384 -21.823 -13.467 1.00 1.00 H new ATOM 0 HB ILE A 63 7.662 -23.534 -15.797 1.00 1.00 H new ATOM 0 HG12 ILE A 63 9.975 -23.797 -16.038 1.00 1.00 H new ATOM 0 HG13 ILE A 63 10.346 -22.364 -15.100 1.00 1.00 H new ATOM 0 HG21 ILE A 63 8.626 -21.854 -17.309 1.00 1.00 H new ATOM 0 HG22 ILE A 63 7.125 -21.282 -16.541 1.00 1.00 H new ATOM 0 HG23 ILE A 63 8.702 -20.693 -15.962 1.00 1.00 H new ATOM 0 HD11 ILE A 63 10.804 -24.413 -13.790 1.00 1.00 H new ATOM 0 HD12 ILE A 63 9.490 -23.475 -13.040 1.00 1.00 H new ATOM 0 HD13 ILE A 63 9.113 -24.930 -13.993 1.00 1.00 H new ATOM 1012 N CYS A 64 5.314 -21.795 -14.737 1.00 1.00 N ATOM 1013 CA CYS A 64 4.143 -20.954 -14.922 1.00 1.00 C ATOM 1014 C CYS A 64 3.345 -20.904 -13.618 1.00 1.00 C ATOM 1015 O CYS A 64 3.505 -19.932 -12.866 1.00 1.00 O ATOM 1016 CB CYS A 64 3.292 -21.445 -16.095 1.00 1.00 C ATOM 1017 SG CYS A 64 4.229 -21.868 -17.593 1.00 1.00 S ATOM 0 H CYS A 64 5.200 -22.751 -15.073 1.00 1.00 H new ATOM 0 HA CYS A 64 4.461 -19.942 -15.171 1.00 1.00 H new ATOM 0 HB2 CYS A 64 2.730 -22.322 -15.775 1.00 1.00 H new ATOM 0 HB3 CYS A 64 2.564 -20.674 -16.345 1.00 1.00 H new ATOM 0 HG CYS A 64 4.904 -20.830 -17.990 1.00 1.00 H new ATOM 1023 N GLU A 65 2.514 -21.935 -13.380 1.00 1.00 N ATOM 1024 CA GLU A 65 1.701 -22.007 -12.179 1.00 1.00 C ATOM 1025 C GLU A 65 2.478 -21.408 -11.005 1.00 1.00 C ATOM 1026 O GLU A 65 1.843 -20.825 -10.114 1.00 1.00 O ATOM 1027 CB GLU A 65 1.273 -23.445 -11.876 1.00 1.00 C ATOM 1028 CG GLU A 65 -0.039 -23.787 -12.585 1.00 1.00 C ATOM 1029 CD GLU A 65 -0.953 -24.614 -11.678 1.00 1.00 C ATOM 1030 OE1 GLU A 65 -0.580 -24.922 -10.537 1.00 1.00 O ATOM 1031 OE2 GLU A 65 -2.089 -24.936 -12.197 1.00 1.00 O ATOM 0 H GLU A 65 2.396 -22.726 -14.013 1.00 1.00 H new ATOM 0 HA GLU A 65 0.790 -21.431 -12.339 1.00 1.00 H new ATOM 0 HB2 GLU A 65 2.054 -24.136 -12.195 1.00 1.00 H new ATOM 0 HB3 GLU A 65 1.154 -23.574 -10.800 1.00 1.00 H new ATOM 0 HG2 GLU A 65 -0.547 -22.869 -12.880 1.00 1.00 H new ATOM 0 HG3 GLU A 65 0.171 -24.342 -13.499 1.00 1.00 H new ATOM 1038 N ASP A 66 3.814 -21.559 -11.027 1.00 1.00 N ATOM 1039 CA ASP A 66 4.666 -21.036 -9.972 1.00 1.00 C ATOM 1040 C ASP A 66 4.082 -21.424 -8.612 1.00 1.00 C ATOM 1041 O ASP A 66 3.753 -20.518 -7.832 1.00 1.00 O ATOM 1042 CB ASP A 66 4.746 -19.510 -10.035 1.00 1.00 C ATOM 1043 CG ASP A 66 3.416 -18.783 -9.821 1.00 1.00 C ATOM 1044 OD1 ASP A 66 2.601 -18.659 -10.747 1.00 1.00 O ATOM 1045 OD2 ASP A 66 3.230 -18.327 -8.629 1.00 1.00 O ATOM 0 H ASP A 66 4.318 -22.042 -11.771 1.00 1.00 H new ATOM 0 HA ASP A 66 5.664 -21.455 -10.105 1.00 1.00 H new ATOM 0 HB2 ASP A 66 5.456 -19.167 -9.282 1.00 1.00 H new ATOM 0 HB3 ASP A 66 5.148 -19.222 -11.006 1.00 1.00 H new