USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 515 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 60 CYS SG : rot 119:sc= 1.22 USER MOD Set 1.2: A 68 CYS SG : rot 113:sc= -0.43 USER MOD Set 1.3: A 73 CYS SG : rot -97:sc= 1.43 USER MOD Set 1.4: A 77 HIS : no HD1:sc= -2.72! X(o=-0.51!,f=-0.2) USER MOD Set 2.1: A 26 CYS SG : rot 133:sc= 0.465 USER MOD Set 2.2: A 34 CYS SG : rot -145:sc= 0.528 USER MOD Set 2.3: A 41 CYS SG : rot 150:sc= 0.196 USER MOD Set 2.4: A 45 HIS :FLIP no HD1:sc= 0.242 F(o=-0.64,f=1.4) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -5.38 K(o=-5.4,f=-6.1!) USER MOD Single : A 30 GLN : amide:sc= -0.483 X(o=-0.48,f=-0.87) USER MOD Single : A 33 THR OG1 : rot -51:sc= 1.06 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0664) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot -24:sc= -1.39 USER MOD Single : A 51 GLN : amide:sc= -0.722 K(o=-0.72,f=-3.4!) USER MOD Single : A 54 ASN : amide:sc= -1.33 X(o=-1.3,f=-1.2!) USER MOD Single : A 63 SER OG : rot 120:sc= -0.973 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0.159 K(o=0.16,f=-4.7!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 HIS :FLIP no HD1:sc= -10.1! C(o=-11!,f=-10!) USER MOD Single : A 83 LYS NZ :NH3+ -138:sc= 0.962 (180deg=-0.695) USER MOD Single : A 84 THR OG1 : rot 180:sc=0.000932 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 192 N LEU A 21 -1.151 7.153 4.138 1.00 0.00 N ATOM 193 CA LEU A 21 -0.385 5.923 3.971 1.00 0.00 C ATOM 194 C LEU A 21 -0.773 4.892 5.027 1.00 0.00 C ATOM 195 O LEU A 21 0.075 4.159 5.537 1.00 0.00 O ATOM 196 CB LEU A 21 1.114 6.217 4.056 1.00 0.00 C ATOM 197 CG LEU A 21 1.676 7.151 2.984 1.00 0.00 C ATOM 198 CD1 LEU A 21 3.063 7.639 3.375 1.00 0.00 C ATOM 199 CD2 LEU A 21 1.717 6.450 1.634 1.00 0.00 C ATOM 0 HA LEU A 21 -0.614 5.512 2.987 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.324 6.651 5.034 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.653 5.271 4.004 1.00 0.00 H new ATOM 0 HG LEU A 21 1.018 8.016 2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.447 8.303 2.600 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.006 8.179 4.320 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.731 6.785 3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.120 7.130 0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.352 5.567 1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.708 6.151 1.349 1.00 0.00 H new ATOM 211 N THR A 22 -2.062 4.840 5.350 1.00 0.00 N ATOM 212 CA THR A 22 -2.563 3.899 6.343 1.00 0.00 C ATOM 213 C THR A 22 -3.664 3.020 5.761 1.00 0.00 C ATOM 214 O THR A 22 -4.354 3.413 4.819 1.00 0.00 O ATOM 215 CB THR A 22 -3.107 4.629 7.585 1.00 0.00 C ATOM 216 OG1 THR A 22 -3.836 5.796 7.187 1.00 0.00 O ATOM 217 CG2 THR A 22 -1.974 5.027 8.519 1.00 0.00 C ATOM 0 H THR A 22 -2.777 5.439 4.938 1.00 0.00 H new ATOM 0 HA THR A 22 -1.721 3.274 6.639 1.00 0.00 H new ATOM 0 HB THR A 22 -3.772 3.949 8.116 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.180 6.254 7.982 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.383 5.541 9.389 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.439 4.134 8.843 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.287 5.691 7.995 1.00 0.00 H new ATOM 225 N LEU A 23 -3.826 1.829 6.328 1.00 0.00 N ATOM 226 CA LEU A 23 -4.846 0.894 5.866 1.00 0.00 C ATOM 227 C LEU A 23 -5.358 0.034 7.017 1.00 0.00 C ATOM 228 O LEU A 23 -4.581 -0.425 7.854 1.00 0.00 O ATOM 229 CB LEU A 23 -4.283 0.001 4.758 1.00 0.00 C ATOM 230 CG LEU A 23 -4.130 0.653 3.384 1.00 0.00 C ATOM 231 CD1 LEU A 23 -3.382 -0.271 2.435 1.00 0.00 C ATOM 232 CD2 LEU A 23 -5.492 1.019 2.812 1.00 0.00 C ATOM 0 H LEU A 23 -3.264 1.488 7.108 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.681 1.472 5.470 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.307 -0.365 5.075 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.932 -0.869 4.655 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.550 1.568 3.500 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.283 0.210 1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.392 -0.482 2.838 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.935 -1.204 2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.363 1.482 1.834 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.098 0.119 2.710 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.992 1.719 3.482 1.00 0.00 H new ATOM 244 N GLU A 24 -6.669 -0.181 7.050 1.00 0.00 N ATOM 245 CA GLU A 24 -7.284 -0.987 8.098 1.00 0.00 C ATOM 246 C GLU A 24 -6.850 -2.446 7.987 1.00 0.00 C ATOM 247 O GLU A 24 -7.229 -3.149 7.050 1.00 0.00 O ATOM 248 CB GLU A 24 -8.809 -0.891 8.018 1.00 0.00 C ATOM 249 CG GLU A 24 -9.391 0.243 8.846 1.00 0.00 C ATOM 250 CD GLU A 24 -10.725 0.728 8.314 1.00 0.00 C ATOM 251 OE1 GLU A 24 -11.415 -0.061 7.635 1.00 0.00 O ATOM 252 OE2 GLU A 24 -11.080 1.896 8.577 1.00 0.00 O ATOM 0 H GLU A 24 -7.325 0.191 6.364 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.952 -0.598 9.061 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.102 -0.757 6.977 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.242 -1.834 8.353 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.515 -0.091 9.876 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.687 1.075 8.862 1.00 0.00 H new ATOM 259 N VAL A 25 -6.051 -2.894 8.950 1.00 0.00 N ATOM 260 CA VAL A 25 -5.564 -4.269 8.963 1.00 0.00 C ATOM 261 C VAL A 25 -6.721 -5.261 9.012 1.00 0.00 C ATOM 262 O VAL A 25 -7.628 -5.133 9.835 1.00 0.00 O ATOM 263 CB VAL A 25 -4.633 -4.524 10.162 1.00 0.00 C ATOM 264 CG1 VAL A 25 -4.175 -5.974 10.184 1.00 0.00 C ATOM 265 CG2 VAL A 25 -3.440 -3.580 10.120 1.00 0.00 C ATOM 0 H VAL A 25 -5.727 -2.325 9.732 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.003 -4.414 8.040 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.189 -4.330 11.079 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.518 -6.135 11.039 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.043 -6.628 10.265 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.636 -6.199 9.264 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.792 -3.774 10.975 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.882 -3.740 9.198 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.791 -2.549 10.157 1.00 0.00 H new ATOM 275 N CYS A 26 -6.683 -6.250 8.126 1.00 0.00 N ATOM 276 CA CYS A 26 -7.728 -7.265 8.067 1.00 0.00 C ATOM 277 C CYS A 26 -7.984 -7.863 9.448 1.00 0.00 C ATOM 278 O CYS A 26 -7.088 -8.445 10.059 1.00 0.00 O ATOM 279 CB CYS A 26 -7.338 -8.372 7.085 1.00 0.00 C ATOM 280 SG CYS A 26 -8.564 -9.712 6.950 1.00 0.00 S ATOM 0 H CYS A 26 -5.939 -6.370 7.438 1.00 0.00 H new ATOM 0 HA CYS A 26 -8.645 -6.787 7.721 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.187 -7.932 6.099 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -6.383 -8.797 7.394 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.786 -9.972 5.696 1.00 0.00 H new ATOM 285 N ARG A 27 -9.212 -7.714 9.932 1.00 0.00 N ATOM 286 CA ARG A 27 -9.587 -8.238 11.240 1.00 0.00 C ATOM 287 C ARG A 27 -9.269 -9.727 11.341 1.00 0.00 C ATOM 288 O ARG A 27 -8.572 -10.162 12.257 1.00 0.00 O ATOM 289 CB ARG A 27 -11.076 -8.005 11.499 1.00 0.00 C ATOM 290 CG ARG A 27 -11.553 -8.544 12.838 1.00 0.00 C ATOM 291 CD ARG A 27 -12.750 -7.764 13.358 1.00 0.00 C ATOM 292 NE ARG A 27 -13.628 -8.593 14.180 1.00 0.00 N ATOM 293 CZ ARG A 27 -14.542 -9.416 13.680 1.00 0.00 C ATOM 294 NH1 ARG A 27 -14.697 -9.521 12.367 1.00 0.00 N ATOM 295 NH2 ARG A 27 -15.303 -10.138 14.493 1.00 0.00 N ATOM 0 H ARG A 27 -9.965 -7.235 9.438 1.00 0.00 H new ATOM 0 HA ARG A 27 -9.007 -7.708 11.995 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -11.281 -6.935 11.454 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.653 -8.474 10.702 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -11.820 -9.596 12.734 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -10.741 -8.492 13.563 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -12.402 -6.913 13.944 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -13.314 -7.362 12.516 1.00 0.00 H new ATOM 0 HE ARG A 27 -13.534 -8.536 15.194 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -14.113 -8.969 11.739 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -15.400 -10.154 11.985 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -15.186 -10.061 15.503 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -16.005 -10.770 14.107 1.00 0.00 H new ATOM 309 N GLN A 28 -9.786 -10.502 10.393 1.00 0.00 N ATOM 310 CA GLN A 28 -9.559 -11.943 10.376 1.00 0.00 C ATOM 311 C GLN A 28 -8.068 -12.259 10.429 1.00 0.00 C ATOM 312 O GLN A 28 -7.620 -13.055 11.254 1.00 0.00 O ATOM 313 CB GLN A 28 -10.180 -12.564 9.124 1.00 0.00 C ATOM 314 CG GLN A 28 -11.698 -12.489 9.098 1.00 0.00 C ATOM 315 CD GLN A 28 -12.331 -13.025 10.367 1.00 0.00 C ATOM 316 OE1 GLN A 28 -12.808 -14.160 10.405 1.00 0.00 O ATOM 317 NE2 GLN A 28 -12.340 -12.210 11.414 1.00 0.00 N ATOM 0 H GLN A 28 -10.365 -10.157 9.627 1.00 0.00 H new ATOM 0 HA GLN A 28 -10.034 -12.371 11.259 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.784 -12.059 8.243 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -9.875 -13.608 9.057 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -12.004 -11.453 8.953 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -12.071 -13.054 8.244 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.933 -11.278 11.338 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.753 -12.516 12.295 1.00 0.00 H new ATOM 326 N PHE A 29 -7.303 -11.629 9.542 1.00 0.00 N ATOM 327 CA PHE A 29 -5.862 -11.844 9.487 1.00 0.00 C ATOM 328 C PHE A 29 -5.258 -11.851 10.888 1.00 0.00 C ATOM 329 O PHE A 29 -4.540 -12.779 11.261 1.00 0.00 O ATOM 330 CB PHE A 29 -5.195 -10.760 8.637 1.00 0.00 C ATOM 331 CG PHE A 29 -3.699 -10.730 8.770 1.00 0.00 C ATOM 332 CD1 PHE A 29 -2.943 -11.857 8.489 1.00 0.00 C ATOM 333 CD2 PHE A 29 -3.049 -9.575 9.173 1.00 0.00 C ATOM 334 CE1 PHE A 29 -1.567 -11.832 8.611 1.00 0.00 C ATOM 335 CE2 PHE A 29 -1.673 -9.544 9.296 1.00 0.00 C ATOM 336 CZ PHE A 29 -0.931 -10.674 9.014 1.00 0.00 C ATOM 0 H PHE A 29 -7.657 -10.966 8.852 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.683 -12.817 9.029 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.456 -10.918 7.591 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.597 -9.788 8.922 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.435 -12.765 8.171 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.625 -8.688 9.394 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.989 -12.717 8.391 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.179 -8.637 9.612 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.145 -10.652 9.108 1.00 0.00 H new ATOM 346 N GLN A 30 -5.555 -10.810 11.659 1.00 0.00 N ATOM 347 CA GLN A 30 -5.041 -10.695 13.018 1.00 0.00 C ATOM 348 C GLN A 30 -5.381 -11.937 13.836 1.00 0.00 C ATOM 349 O GLN A 30 -4.498 -12.581 14.401 1.00 0.00 O ATOM 350 CB GLN A 30 -5.611 -9.450 13.699 1.00 0.00 C ATOM 351 CG GLN A 30 -4.811 -8.187 13.426 1.00 0.00 C ATOM 352 CD GLN A 30 -3.432 -8.222 14.053 1.00 0.00 C ATOM 353 OE1 GLN A 30 -3.237 -8.808 15.119 1.00 0.00 O ATOM 354 NE2 GLN A 30 -2.465 -7.595 13.394 1.00 0.00 N ATOM 0 H GLN A 30 -6.149 -10.034 11.366 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.956 -10.605 12.962 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.637 -9.300 13.363 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.650 -9.620 14.775 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.713 -8.050 12.349 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.358 -7.325 13.809 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.671 -7.122 12.514 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.516 -7.586 13.768 1.00 0.00 H new ATOM 363 N ARG A 31 -6.667 -12.267 13.894 1.00 0.00 N ATOM 364 CA ARG A 31 -7.125 -13.430 14.643 1.00 0.00 C ATOM 365 C ARG A 31 -6.517 -14.712 14.081 1.00 0.00 C ATOM 366 O ARG A 31 -6.328 -15.690 14.803 1.00 0.00 O ATOM 367 CB ARG A 31 -8.652 -13.519 14.608 1.00 0.00 C ATOM 368 CG ARG A 31 -9.346 -12.243 15.056 1.00 0.00 C ATOM 369 CD ARG A 31 -10.857 -12.360 14.936 1.00 0.00 C ATOM 370 NE ARG A 31 -11.423 -13.230 15.964 1.00 0.00 N ATOM 371 CZ ARG A 31 -12.595 -13.843 15.845 1.00 0.00 C ATOM 372 NH1 ARG A 31 -13.322 -13.683 14.748 1.00 0.00 N ATOM 373 NH2 ARG A 31 -13.042 -14.619 16.824 1.00 0.00 N ATOM 0 H ARG A 31 -7.410 -11.745 13.431 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.799 -13.316 15.677 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.971 -13.759 13.594 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.974 -14.342 15.246 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.078 -12.025 16.090 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.996 -11.406 14.453 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.304 -11.369 15.013 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.113 -12.749 13.951 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.888 -13.375 16.821 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.981 -13.088 13.993 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -14.222 -14.155 14.659 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.485 -14.745 17.669 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.942 -15.089 16.731 1.00 0.00 H new ATOM 387 N GLY A 32 -6.214 -14.699 12.787 1.00 0.00 N ATOM 388 CA GLY A 32 -5.632 -15.866 12.149 1.00 0.00 C ATOM 389 C GLY A 32 -6.675 -16.749 11.494 1.00 0.00 C ATOM 390 O GLY A 32 -6.561 -17.976 11.509 1.00 0.00 O ATOM 0 H GLY A 32 -6.361 -13.901 12.169 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.910 -15.544 11.399 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.083 -16.446 12.891 1.00 0.00 H new ATOM 394 N THR A 33 -7.698 -16.126 10.917 1.00 0.00 N ATOM 395 CA THR A 33 -8.767 -16.863 10.255 1.00 0.00 C ATOM 396 C THR A 33 -9.049 -16.297 8.868 1.00 0.00 C ATOM 397 O THR A 33 -10.196 -16.265 8.421 1.00 0.00 O ATOM 398 CB THR A 33 -10.066 -16.833 11.083 1.00 0.00 C ATOM 399 OG1 THR A 33 -11.078 -17.611 10.435 1.00 0.00 O ATOM 400 CG2 THR A 33 -10.557 -15.405 11.268 1.00 0.00 C ATOM 0 H THR A 33 -7.809 -15.112 10.895 1.00 0.00 H new ATOM 0 HA THR A 33 -8.428 -17.895 10.161 1.00 0.00 H new ATOM 0 HB THR A 33 -9.855 -17.258 12.065 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.158 -17.330 9.500 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.475 -15.409 11.855 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.796 -14.823 11.788 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.752 -14.958 10.293 1.00 0.00 H new ATOM 408 N CYS A 34 -7.996 -15.852 8.191 1.00 0.00 N ATOM 409 CA CYS A 34 -8.130 -15.287 6.854 1.00 0.00 C ATOM 410 C CYS A 34 -7.382 -16.134 5.828 1.00 0.00 C ATOM 411 O CYS A 34 -6.187 -15.944 5.603 1.00 0.00 O ATOM 412 CB CYS A 34 -7.600 -13.852 6.829 1.00 0.00 C ATOM 413 SG CYS A 34 -7.497 -13.126 5.161 1.00 0.00 S ATOM 0 H CYS A 34 -7.040 -15.872 8.547 1.00 0.00 H new ATOM 0 HA CYS A 34 -9.188 -15.282 6.593 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -8.245 -13.227 7.446 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -6.609 -13.834 7.283 1.00 0.00 H new ATOM 0 HG CYS A 34 -6.461 -12.344 5.091 1.00 0.00 H new ATOM 418 N SER A 35 -8.095 -17.070 5.210 1.00 0.00 N ATOM 419 CA SER A 35 -7.500 -17.949 4.210 1.00 0.00 C ATOM 420 C SER A 35 -7.492 -17.284 2.837 1.00 0.00 C ATOM 421 O SER A 35 -7.562 -17.958 1.809 1.00 0.00 O ATOM 422 CB SER A 35 -8.264 -19.273 4.144 1.00 0.00 C ATOM 423 OG SER A 35 -7.946 -20.101 5.249 1.00 0.00 O ATOM 0 H SER A 35 -9.086 -17.239 5.384 1.00 0.00 H new ATOM 0 HA SER A 35 -6.469 -18.147 4.504 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.336 -19.077 4.129 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.021 -19.791 3.216 1.00 0.00 H new ATOM 0 HG SER A 35 -8.448 -20.940 5.184 1.00 0.00 H new ATOM 429 N ARG A 36 -7.405 -15.958 2.830 1.00 0.00 N ATOM 430 CA ARG A 36 -7.389 -15.201 1.584 1.00 0.00 C ATOM 431 C ARG A 36 -6.058 -14.476 1.405 1.00 0.00 C ATOM 432 O ARG A 36 -5.605 -13.761 2.298 1.00 0.00 O ATOM 433 CB ARG A 36 -8.539 -14.192 1.561 1.00 0.00 C ATOM 434 CG ARG A 36 -9.915 -14.836 1.523 1.00 0.00 C ATOM 435 CD ARG A 36 -10.903 -13.994 0.732 1.00 0.00 C ATOM 436 NE ARG A 36 -12.130 -14.727 0.431 1.00 0.00 N ATOM 437 CZ ARG A 36 -12.885 -14.489 -0.635 1.00 0.00 C ATOM 438 NH1 ARG A 36 -12.541 -13.544 -1.498 1.00 0.00 N ATOM 439 NH2 ARG A 36 -13.988 -15.199 -0.840 1.00 0.00 N ATOM 0 H ARG A 36 -7.345 -15.386 3.672 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.514 -15.903 0.760 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.470 -13.555 2.443 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.426 -13.545 0.691 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.841 -15.828 1.077 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.283 -14.971 2.540 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.148 -13.095 1.298 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.438 -13.668 -0.198 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.423 -15.462 1.075 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.694 -12.997 -1.344 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.123 -13.364 -2.316 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.256 -15.928 -0.178 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.568 -15.016 -1.659 1.00 0.00 H new ATOM 453 N SER A 37 -5.438 -14.667 0.245 1.00 0.00 N ATOM 454 CA SER A 37 -4.157 -14.035 -0.049 1.00 0.00 C ATOM 455 C SER A 37 -4.296 -12.516 -0.087 1.00 0.00 C ATOM 456 O SER A 37 -5.364 -11.973 0.194 1.00 0.00 O ATOM 457 CB SER A 37 -3.609 -14.542 -1.385 1.00 0.00 C ATOM 458 OG SER A 37 -4.284 -13.938 -2.475 1.00 0.00 O ATOM 0 H SER A 37 -5.801 -15.254 -0.506 1.00 0.00 H new ATOM 0 HA SER A 37 -3.459 -14.299 0.746 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.542 -14.327 -1.449 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.720 -15.625 -1.440 1.00 0.00 H new ATOM 0 HG SER A 37 -3.915 -14.277 -3.317 1.00 0.00 H new ATOM 464 N ASP A 38 -3.209 -11.838 -0.438 1.00 0.00 N ATOM 465 CA ASP A 38 -3.209 -10.382 -0.515 1.00 0.00 C ATOM 466 C ASP A 38 -3.943 -9.903 -1.763 1.00 0.00 C ATOM 467 O ASP A 38 -4.586 -8.854 -1.752 1.00 0.00 O ATOM 468 CB ASP A 38 -1.775 -9.850 -0.516 1.00 0.00 C ATOM 469 CG ASP A 38 -0.833 -10.727 -1.319 1.00 0.00 C ATOM 470 OD1 ASP A 38 -1.012 -10.817 -2.552 1.00 0.00 O ATOM 471 OD2 ASP A 38 0.082 -11.322 -0.714 1.00 0.00 O ATOM 0 H ASP A 38 -2.317 -12.273 -0.674 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.731 -9.997 0.361 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.765 -8.840 -0.926 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.416 -9.780 0.511 1.00 0.00 H new ATOM 476 N GLU A 39 -3.841 -10.679 -2.838 1.00 0.00 N ATOM 477 CA GLU A 39 -4.495 -10.332 -4.095 1.00 0.00 C ATOM 478 C GLU A 39 -5.953 -10.784 -4.093 1.00 0.00 C ATOM 479 O GLU A 39 -6.721 -10.436 -4.988 1.00 0.00 O ATOM 480 CB GLU A 39 -3.754 -10.969 -5.273 1.00 0.00 C ATOM 481 CG GLU A 39 -4.181 -10.425 -6.626 1.00 0.00 C ATOM 482 CD GLU A 39 -3.428 -9.167 -7.012 1.00 0.00 C ATOM 483 OE1 GLU A 39 -3.697 -8.105 -6.412 1.00 0.00 O ATOM 484 OE2 GLU A 39 -2.569 -9.244 -7.916 1.00 0.00 O ATOM 0 H GLU A 39 -3.312 -11.551 -2.864 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.469 -9.248 -4.201 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.683 -10.808 -5.148 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.919 -12.046 -5.255 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.021 -11.188 -7.387 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.250 -10.213 -6.607 1.00 0.00 H new ATOM 491 N GLU A 40 -6.324 -11.561 -3.080 1.00 0.00 N ATOM 492 CA GLU A 40 -7.689 -12.061 -2.962 1.00 0.00 C ATOM 493 C GLU A 40 -8.486 -11.234 -1.957 1.00 0.00 C ATOM 494 O GLU A 40 -9.577 -10.751 -2.261 1.00 0.00 O ATOM 495 CB GLU A 40 -7.682 -13.531 -2.539 1.00 0.00 C ATOM 496 CG GLU A 40 -7.442 -14.494 -3.689 1.00 0.00 C ATOM 497 CD GLU A 40 -7.332 -15.935 -3.230 1.00 0.00 C ATOM 498 OE1 GLU A 40 -7.191 -16.161 -2.010 1.00 0.00 O ATOM 499 OE2 GLU A 40 -7.388 -16.838 -4.091 1.00 0.00 O ATOM 0 H GLU A 40 -5.699 -11.858 -2.330 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.167 -11.974 -3.938 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.909 -13.680 -1.785 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.636 -13.770 -2.069 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.257 -14.407 -4.407 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.527 -14.212 -4.210 1.00 0.00 H new ATOM 506 N CYS A 41 -7.934 -11.077 -0.759 1.00 0.00 N ATOM 507 CA CYS A 41 -8.592 -10.311 0.292 1.00 0.00 C ATOM 508 C CYS A 41 -8.503 -8.814 0.011 1.00 0.00 C ATOM 509 O CYS A 41 -7.467 -8.314 -0.429 1.00 0.00 O ATOM 510 CB CYS A 41 -7.963 -10.624 1.651 1.00 0.00 C ATOM 511 SG CYS A 41 -9.066 -10.322 3.069 1.00 0.00 S ATOM 0 H CYS A 41 -7.032 -11.471 -0.492 1.00 0.00 H new ATOM 0 HA CYS A 41 -9.643 -10.598 0.311 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.651 -11.668 1.663 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.063 -10.021 1.770 1.00 0.00 H new ATOM 0 HG CYS A 41 -8.772 -11.146 4.031 1.00 0.00 H new ATOM 516 N LYS A 42 -9.595 -8.103 0.269 1.00 0.00 N ATOM 517 CA LYS A 42 -9.642 -6.662 0.046 1.00 0.00 C ATOM 518 C LYS A 42 -9.049 -5.909 1.233 1.00 0.00 C ATOM 519 O LYS A 42 -9.513 -4.825 1.587 1.00 0.00 O ATOM 520 CB LYS A 42 -11.084 -6.209 -0.191 1.00 0.00 C ATOM 521 CG LYS A 42 -11.958 -6.287 1.049 1.00 0.00 C ATOM 522 CD LYS A 42 -13.426 -6.095 0.708 1.00 0.00 C ATOM 523 CE LYS A 42 -14.328 -6.765 1.734 1.00 0.00 C ATOM 524 NZ LYS A 42 -15.687 -6.156 1.759 1.00 0.00 N ATOM 0 H LYS A 42 -10.461 -8.501 0.633 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.047 -6.436 -0.839 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.078 -5.182 -0.557 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.525 -6.824 -0.975 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.819 -7.254 1.533 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.647 -5.525 1.764 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.654 -5.030 0.662 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.628 -6.507 -0.280 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.410 -7.828 1.506 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.876 -6.685 2.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.271 -6.640 2.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.611 -5.147 2.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.129 -6.255 0.823 1.00 0.00 H new ATOM 538 N PHE A 43 -8.021 -6.489 1.843 1.00 0.00 N ATOM 539 CA PHE A 43 -7.365 -5.872 2.990 1.00 0.00 C ATOM 540 C PHE A 43 -5.852 -6.053 2.914 1.00 0.00 C ATOM 541 O PHE A 43 -5.347 -6.800 2.076 1.00 0.00 O ATOM 542 CB PHE A 43 -7.897 -6.473 4.293 1.00 0.00 C ATOM 543 CG PHE A 43 -9.313 -6.077 4.601 1.00 0.00 C ATOM 544 CD1 PHE A 43 -9.590 -4.864 5.210 1.00 0.00 C ATOM 545 CD2 PHE A 43 -10.366 -6.919 4.282 1.00 0.00 C ATOM 546 CE1 PHE A 43 -10.892 -4.498 5.495 1.00 0.00 C ATOM 547 CE2 PHE A 43 -11.670 -6.559 4.564 1.00 0.00 C ATOM 548 CZ PHE A 43 -11.934 -5.346 5.171 1.00 0.00 C ATOM 0 H PHE A 43 -7.624 -7.386 1.562 1.00 0.00 H new ATOM 0 HA PHE A 43 -7.587 -4.805 2.973 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -7.837 -7.560 4.234 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.254 -6.162 5.116 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.780 -4.197 5.465 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.165 -7.868 3.807 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -11.095 -3.550 5.971 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -12.482 -7.225 4.310 1.00 0.00 H new ATOM 0 HZ PHE A 43 -12.952 -5.061 5.392 1.00 0.00 H new ATOM 558 N ALA A 44 -5.134 -5.364 3.794 1.00 0.00 N ATOM 559 CA ALA A 44 -3.679 -5.450 3.828 1.00 0.00 C ATOM 560 C ALA A 44 -3.210 -6.390 4.934 1.00 0.00 C ATOM 561 O ALA A 44 -3.589 -6.236 6.095 1.00 0.00 O ATOM 562 CB ALA A 44 -3.074 -4.067 4.017 1.00 0.00 C ATOM 0 H ALA A 44 -5.536 -4.740 4.493 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.341 -5.856 2.875 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.987 -4.145 4.041 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.373 -3.423 3.190 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.427 -3.640 4.956 1.00 0.00 H new ATOM 568 N HIS A 45 -2.384 -7.363 4.565 1.00 0.00 N ATOM 569 CA HIS A 45 -1.863 -8.329 5.526 1.00 0.00 C ATOM 570 C HIS A 45 -0.352 -8.183 5.679 1.00 0.00 C ATOM 571 O HIS A 45 0.431 -8.778 4.940 1.00 0.00 O ATOM 572 CB HIS A 45 -2.208 -9.753 5.089 1.00 0.00 C ATOM 573 CG HIS A 45 -3.654 -9.941 4.748 1.00 0.00 C ATOM 574 ND1 HIS A 45 -4.749 -9.232 5.110 1.00 0.00 N flip ATOM 575 CD2 HIS A 45 -4.110 -10.963 3.942 1.00 0.00 C flip ATOM 576 CE1 HIS A 45 -5.835 -9.831 4.521 1.00 0.00 C flip ATOM 577 NE2 HIS A 45 -5.423 -10.873 3.822 1.00 0.00 N flip ATOM 0 H HIS A 45 -2.061 -7.504 3.608 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.329 -8.131 6.491 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.602 -10.015 4.222 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.939 -10.445 5.887 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.491 -11.719 3.481 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.860 -9.503 4.614 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.017 -11.502 3.281 1.00 0.00 H new ATOM 585 N PRO A 46 0.068 -7.370 6.661 1.00 0.00 N ATOM 586 CA PRO A 46 1.488 -7.127 6.933 1.00 0.00 C ATOM 587 C PRO A 46 2.185 -8.352 7.515 1.00 0.00 C ATOM 588 O PRO A 46 1.650 -9.050 8.376 1.00 0.00 O ATOM 589 CB PRO A 46 1.462 -5.989 7.957 1.00 0.00 C ATOM 590 CG PRO A 46 0.137 -6.113 8.628 1.00 0.00 C ATOM 591 CD PRO A 46 -0.811 -6.628 7.580 1.00 0.00 C ATOM 0 HA PRO A 46 2.043 -6.890 6.025 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.279 -6.082 8.673 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.571 -5.018 7.473 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.191 -6.797 9.475 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.196 -5.150 9.016 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.576 -7.273 8.012 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.329 -5.815 7.072 1.00 0.00 H new ATOM 599 N PRO A 47 3.408 -8.621 7.035 1.00 0.00 N ATOM 600 CA PRO A 47 4.205 -9.762 7.494 1.00 0.00 C ATOM 601 C PRO A 47 4.699 -9.585 8.926 1.00 0.00 C ATOM 602 O PRO A 47 4.445 -8.560 9.560 1.00 0.00 O ATOM 603 CB PRO A 47 5.386 -9.785 6.521 1.00 0.00 C ATOM 604 CG PRO A 47 5.507 -8.380 6.039 1.00 0.00 C ATOM 605 CD PRO A 47 4.107 -7.832 6.007 1.00 0.00 C ATOM 0 HA PRO A 47 3.626 -10.685 7.505 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.300 -10.114 7.015 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.205 -10.473 5.695 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.141 -7.793 6.703 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.963 -8.345 5.050 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.087 -6.766 6.236 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.649 -7.956 5.025 1.00 0.00 H new ATOM 613 N LYS A 48 5.406 -10.590 9.432 1.00 0.00 N ATOM 614 CA LYS A 48 5.938 -10.546 10.789 1.00 0.00 C ATOM 615 C LYS A 48 7.051 -9.510 10.903 1.00 0.00 C ATOM 616 O LYS A 48 7.150 -8.800 11.904 1.00 0.00 O ATOM 617 CB LYS A 48 6.465 -11.923 11.197 1.00 0.00 C ATOM 618 CG LYS A 48 6.817 -12.027 12.671 1.00 0.00 C ATOM 619 CD LYS A 48 6.814 -13.471 13.145 1.00 0.00 C ATOM 620 CE LYS A 48 8.092 -14.192 12.743 1.00 0.00 C ATOM 621 NZ LYS A 48 9.250 -13.775 13.581 1.00 0.00 N ATOM 0 H LYS A 48 5.624 -11.446 8.922 1.00 0.00 H new ATOM 0 HA LYS A 48 5.129 -10.260 11.461 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.714 -12.676 10.957 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.349 -12.155 10.604 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.800 -11.589 12.843 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.103 -11.449 13.258 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.705 -13.499 14.229 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.954 -13.991 12.724 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.946 -15.268 12.835 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.310 -13.988 11.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.047 -14.424 13.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.534 -12.808 13.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.980 -13.802 14.585 1.00 0.00 H new ATOM 635 N SER A 49 7.885 -9.427 9.872 1.00 0.00 N ATOM 636 CA SER A 49 8.993 -8.479 9.859 1.00 0.00 C ATOM 637 C SER A 49 8.479 -7.043 9.881 1.00 0.00 C ATOM 638 O SER A 49 9.004 -6.195 10.604 1.00 0.00 O ATOM 639 CB SER A 49 9.866 -8.700 8.622 1.00 0.00 C ATOM 640 OG SER A 49 9.081 -8.740 7.443 1.00 0.00 O ATOM 0 H SER A 49 7.815 -10.005 9.034 1.00 0.00 H new ATOM 0 HA SER A 49 9.593 -8.646 10.754 1.00 0.00 H new ATOM 0 HB2 SER A 49 10.602 -7.900 8.545 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.419 -9.633 8.726 1.00 0.00 H new ATOM 0 HG SER A 49 9.663 -8.880 6.667 1.00 0.00 H new ATOM 646 N CYS A 50 7.448 -6.777 9.086 1.00 0.00 N ATOM 647 CA CYS A 50 6.862 -5.444 9.013 1.00 0.00 C ATOM 648 C CYS A 50 6.175 -5.080 10.325 1.00 0.00 C ATOM 649 O CYS A 50 5.376 -5.853 10.853 1.00 0.00 O ATOM 650 CB CYS A 50 5.861 -5.366 7.860 1.00 0.00 C ATOM 651 SG CYS A 50 6.624 -5.311 6.222 1.00 0.00 S ATOM 0 H CYS A 50 7.001 -7.467 8.483 1.00 0.00 H new ATOM 0 HA CYS A 50 7.666 -4.730 8.834 1.00 0.00 H new ATOM 0 HB2 CYS A 50 5.197 -6.229 7.911 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.241 -4.479 7.990 1.00 0.00 H new ATOM 0 HG CYS A 50 7.832 -4.842 6.322 1.00 0.00 H new ATOM 657 N GLN A 51 6.492 -3.899 10.846 1.00 0.00 N ATOM 658 CA GLN A 51 5.906 -3.434 12.098 1.00 0.00 C ATOM 659 C GLN A 51 4.433 -3.085 11.913 1.00 0.00 C ATOM 660 O GLN A 51 4.078 -2.282 11.050 1.00 0.00 O ATOM 661 CB GLN A 51 6.669 -2.216 12.621 1.00 0.00 C ATOM 662 CG GLN A 51 6.229 -1.771 14.006 1.00 0.00 C ATOM 663 CD GLN A 51 5.102 -0.757 13.963 1.00 0.00 C ATOM 664 OE1 GLN A 51 4.729 -0.272 12.895 1.00 0.00 O ATOM 665 NE2 GLN A 51 4.554 -0.432 15.128 1.00 0.00 N ATOM 0 H GLN A 51 7.151 -3.247 10.421 1.00 0.00 H new ATOM 0 HA GLN A 51 5.981 -4.241 12.827 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.734 -2.447 12.644 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.538 -1.389 11.924 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.908 -2.641 14.578 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.081 -1.340 14.533 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.895 -0.859 15.989 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.792 0.245 15.162 1.00 0.00 H new ATOM 674 N VAL A 52 3.579 -3.695 12.728 1.00 0.00 N ATOM 675 CA VAL A 52 2.143 -3.449 12.655 1.00 0.00 C ATOM 676 C VAL A 52 1.704 -2.445 13.715 1.00 0.00 C ATOM 677 O VAL A 52 2.065 -2.565 14.885 1.00 0.00 O ATOM 678 CB VAL A 52 1.341 -4.751 12.833 1.00 0.00 C ATOM 679 CG1 VAL A 52 -0.153 -4.470 12.772 1.00 0.00 C ATOM 680 CG2 VAL A 52 1.743 -5.772 11.780 1.00 0.00 C ATOM 0 H VAL A 52 3.856 -4.363 13.447 1.00 0.00 H new ATOM 0 HA VAL A 52 1.941 -3.040 11.665 1.00 0.00 H new ATOM 0 HB VAL A 52 1.569 -5.167 13.815 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.704 -5.402 12.900 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.425 -3.776 13.567 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.402 -4.031 11.806 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.166 -6.686 11.921 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.546 -5.368 10.787 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.806 -5.995 11.876 1.00 0.00 H new ATOM 690 N GLU A 53 0.921 -1.455 13.296 1.00 0.00 N ATOM 691 CA GLU A 53 0.432 -0.430 14.210 1.00 0.00 C ATOM 692 C GLU A 53 -0.806 -0.914 14.959 1.00 0.00 C ATOM 693 O GLU A 53 -1.441 -1.890 14.563 1.00 0.00 O ATOM 694 CB GLU A 53 0.109 0.855 13.445 1.00 0.00 C ATOM 695 CG GLU A 53 0.313 2.119 14.263 1.00 0.00 C ATOM 696 CD GLU A 53 1.747 2.288 14.727 1.00 0.00 C ATOM 697 OE1 GLU A 53 2.565 2.812 13.942 1.00 0.00 O ATOM 698 OE2 GLU A 53 2.051 1.897 15.873 1.00 0.00 O ATOM 0 H GLU A 53 0.612 -1.342 12.330 1.00 0.00 H new ATOM 0 HA GLU A 53 1.217 -0.224 14.937 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.735 0.904 12.554 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.926 0.815 13.106 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.024 2.984 13.666 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.346 2.096 15.131 1.00 0.00 H new ATOM 705 N ASN A 54 -1.142 -0.224 16.045 1.00 0.00 N ATOM 706 CA ASN A 54 -2.302 -0.584 16.850 1.00 0.00 C ATOM 707 C ASN A 54 -3.562 -0.648 15.992 1.00 0.00 C ATOM 708 O ASN A 54 -4.094 0.379 15.573 1.00 0.00 O ATOM 709 CB ASN A 54 -2.496 0.426 17.984 1.00 0.00 C ATOM 710 CG ASN A 54 -2.532 1.857 17.483 1.00 0.00 C ATOM 711 OD1 ASN A 54 -3.546 2.317 16.959 1.00 0.00 O ATOM 712 ND2 ASN A 54 -1.421 2.568 17.642 1.00 0.00 N ATOM 0 H ASN A 54 -0.627 0.587 16.387 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.123 -1.571 17.277 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.425 0.204 18.510 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.687 0.317 18.706 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.385 3.537 17.324 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.604 2.145 18.082 1.00 0.00 H new ATOM 719 N GLY A 55 -4.034 -1.864 15.733 1.00 0.00 N ATOM 720 CA GLY A 55 -5.227 -2.041 14.926 1.00 0.00 C ATOM 721 C GLY A 55 -5.101 -1.401 13.558 1.00 0.00 C ATOM 722 O GLY A 55 -6.100 -1.189 12.870 1.00 0.00 O ATOM 0 H GLY A 55 -3.611 -2.730 16.068 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.428 -3.106 14.809 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.082 -1.611 15.448 1.00 0.00 H new ATOM 726 N ARG A 56 -3.871 -1.092 13.162 1.00 0.00 N ATOM 727 CA ARG A 56 -3.619 -0.470 11.867 1.00 0.00 C ATOM 728 C ARG A 56 -2.194 -0.749 11.399 1.00 0.00 C ATOM 729 O ARG A 56 -1.350 -1.198 12.175 1.00 0.00 O ATOM 730 CB ARG A 56 -3.854 1.039 11.948 1.00 0.00 C ATOM 731 CG ARG A 56 -4.383 1.643 10.658 1.00 0.00 C ATOM 732 CD ARG A 56 -4.630 3.137 10.802 1.00 0.00 C ATOM 733 NE ARG A 56 -5.782 3.421 11.653 1.00 0.00 N ATOM 734 CZ ARG A 56 -7.042 3.282 11.256 1.00 0.00 C ATOM 735 NH1 ARG A 56 -7.311 2.865 10.027 1.00 0.00 N ATOM 736 NH2 ARG A 56 -8.036 3.561 12.089 1.00 0.00 N ATOM 0 H ARG A 56 -3.033 -1.262 13.719 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.312 -0.900 11.144 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.560 1.246 12.752 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.918 1.530 12.212 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.669 1.467 9.853 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.311 1.145 10.376 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.743 3.612 11.221 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.790 3.575 9.817 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.610 3.744 12.605 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.550 2.650 9.383 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.279 2.759 9.725 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.833 3.883 13.035 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.003 3.454 11.783 1.00 0.00 H new ATOM 750 N VAL A 57 -1.932 -0.481 10.123 1.00 0.00 N ATOM 751 CA VAL A 57 -0.610 -0.702 9.551 1.00 0.00 C ATOM 752 C VAL A 57 -0.280 0.355 8.504 1.00 0.00 C ATOM 753 O VAL A 57 -1.147 0.777 7.738 1.00 0.00 O ATOM 754 CB VAL A 57 -0.503 -2.097 8.907 1.00 0.00 C ATOM 755 CG1 VAL A 57 -1.443 -2.208 7.715 1.00 0.00 C ATOM 756 CG2 VAL A 57 0.932 -2.385 8.493 1.00 0.00 C ATOM 0 H VAL A 57 -2.619 -0.110 9.466 1.00 0.00 H new ATOM 0 HA VAL A 57 0.105 -0.632 10.371 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.800 -2.842 9.645 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.354 -3.200 7.273 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.470 -2.049 8.045 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.180 -1.455 6.973 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.988 -3.375 8.040 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.260 -1.637 7.772 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.578 -2.350 9.370 1.00 0.00 H new ATOM 766 N ILE A 58 0.979 0.780 8.477 1.00 0.00 N ATOM 767 CA ILE A 58 1.424 1.788 7.522 1.00 0.00 C ATOM 768 C ILE A 58 1.917 1.143 6.232 1.00 0.00 C ATOM 769 O ILE A 58 2.689 0.186 6.260 1.00 0.00 O ATOM 770 CB ILE A 58 2.548 2.662 8.109 1.00 0.00 C ATOM 771 CG1 ILE A 58 2.058 3.389 9.363 1.00 0.00 C ATOM 772 CG2 ILE A 58 3.041 3.659 7.071 1.00 0.00 C ATOM 773 CD1 ILE A 58 3.161 4.085 10.128 1.00 0.00 C ATOM 0 H ILE A 58 1.708 0.442 9.105 1.00 0.00 H new ATOM 0 HA ILE A 58 0.562 2.418 7.303 1.00 0.00 H new ATOM 0 HB ILE A 58 3.381 2.016 8.389 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.306 4.124 9.076 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.568 2.671 10.021 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.835 4.269 7.501 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.425 3.122 6.204 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.216 4.301 6.763 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.741 4.579 11.004 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.902 3.352 10.446 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.636 4.827 9.487 1.00 0.00 H new ATOM 785 N ALA A 59 1.467 1.677 5.101 1.00 0.00 N ATOM 786 CA ALA A 59 1.866 1.156 3.799 1.00 0.00 C ATOM 787 C ALA A 59 3.189 1.764 3.346 1.00 0.00 C ATOM 788 O ALA A 59 3.411 2.967 3.486 1.00 0.00 O ATOM 789 CB ALA A 59 0.779 1.423 2.768 1.00 0.00 C ATOM 0 H ALA A 59 0.826 2.470 5.060 1.00 0.00 H new ATOM 0 HA ALA A 59 2.005 0.079 3.893 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.090 1.029 1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.145 0.935 3.079 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.612 2.497 2.685 1.00 0.00 H new ATOM 795 N CYS A 60 4.065 0.926 2.803 1.00 0.00 N ATOM 796 CA CYS A 60 5.367 1.380 2.330 1.00 0.00 C ATOM 797 C CYS A 60 5.212 2.468 1.271 1.00 0.00 C ATOM 798 O CYS A 60 4.199 2.532 0.575 1.00 0.00 O ATOM 799 CB CYS A 60 6.163 0.205 1.758 1.00 0.00 C ATOM 800 SG CYS A 60 7.827 0.653 1.165 1.00 0.00 S ATOM 0 H CYS A 60 3.897 -0.072 2.679 1.00 0.00 H new ATOM 0 HA CYS A 60 5.909 1.798 3.178 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.257 -0.564 2.525 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.601 -0.234 0.934 1.00 0.00 H new ATOM 0 HG CYS A 60 8.721 -0.004 1.843 1.00 0.00 H new ATOM 805 N PHE A 61 6.224 3.321 1.155 1.00 0.00 N ATOM 806 CA PHE A 61 6.201 4.407 0.182 1.00 0.00 C ATOM 807 C PHE A 61 6.688 3.926 -1.181 1.00 0.00 C ATOM 808 O PHE A 61 5.956 3.981 -2.169 1.00 0.00 O ATOM 809 CB PHE A 61 7.068 5.572 0.665 1.00 0.00 C ATOM 810 CG PHE A 61 7.148 6.706 -0.316 1.00 0.00 C ATOM 811 CD1 PHE A 61 6.005 7.387 -0.703 1.00 0.00 C ATOM 812 CD2 PHE A 61 8.366 7.092 -0.852 1.00 0.00 C ATOM 813 CE1 PHE A 61 6.075 8.432 -1.605 1.00 0.00 C ATOM 814 CE2 PHE A 61 8.443 8.136 -1.754 1.00 0.00 C ATOM 815 CZ PHE A 61 7.296 8.806 -2.132 1.00 0.00 C ATOM 0 H PHE A 61 7.070 3.281 1.723 1.00 0.00 H new ATOM 0 HA PHE A 61 5.171 4.748 0.080 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.668 5.945 1.608 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.074 5.206 0.868 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.048 7.098 -0.295 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.266 6.571 -0.561 1.00 0.00 H new ATOM 0 HE1 PHE A 61 5.177 8.955 -1.897 1.00 0.00 H new ATOM 0 HE2 PHE A 61 9.399 8.428 -2.163 1.00 0.00 H new ATOM 0 HZ PHE A 61 7.354 9.621 -2.838 1.00 0.00 H new ATOM 825 N ASP A 62 7.930 3.456 -1.227 1.00 0.00 N ATOM 826 CA ASP A 62 8.517 2.965 -2.468 1.00 0.00 C ATOM 827 C ASP A 62 7.620 1.913 -3.114 1.00 0.00 C ATOM 828 O ASP A 62 7.428 1.909 -4.329 1.00 0.00 O ATOM 829 CB ASP A 62 9.904 2.378 -2.204 1.00 0.00 C ATOM 830 CG ASP A 62 10.964 3.449 -2.038 1.00 0.00 C ATOM 831 OD1 ASP A 62 10.829 4.279 -1.115 1.00 0.00 O ATOM 832 OD2 ASP A 62 11.928 3.459 -2.833 1.00 0.00 O ATOM 0 H ASP A 62 8.550 3.405 -0.419 1.00 0.00 H new ATOM 0 HA ASP A 62 8.612 3.807 -3.154 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.870 1.762 -1.305 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.181 1.722 -3.029 1.00 0.00 H new ATOM 837 N SER A 63 7.076 1.022 -2.292 1.00 0.00 N ATOM 838 CA SER A 63 6.204 -0.039 -2.783 1.00 0.00 C ATOM 839 C SER A 63 5.179 0.514 -3.769 1.00 0.00 C ATOM 840 O SER A 63 4.977 -0.042 -4.849 1.00 0.00 O ATOM 841 CB SER A 63 5.488 -0.722 -1.616 1.00 0.00 C ATOM 842 OG SER A 63 4.542 0.148 -1.019 1.00 0.00 O ATOM 0 H SER A 63 7.223 1.013 -1.283 1.00 0.00 H new ATOM 0 HA SER A 63 6.822 -0.773 -3.300 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.986 -1.622 -1.970 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.219 -1.036 -0.871 1.00 0.00 H new ATOM 0 HG SER A 63 3.648 -0.248 -1.082 1.00 0.00 H new ATOM 848 N LEU A 64 4.535 1.612 -3.389 1.00 0.00 N ATOM 849 CA LEU A 64 3.530 2.242 -4.239 1.00 0.00 C ATOM 850 C LEU A 64 4.041 2.389 -5.669 1.00 0.00 C ATOM 851 O LEU A 64 3.278 2.272 -6.628 1.00 0.00 O ATOM 852 CB LEU A 64 3.146 3.612 -3.679 1.00 0.00 C ATOM 853 CG LEU A 64 2.569 3.621 -2.263 1.00 0.00 C ATOM 854 CD1 LEU A 64 2.341 5.048 -1.788 1.00 0.00 C ATOM 855 CD2 LEU A 64 1.272 2.826 -2.211 1.00 0.00 C ATOM 0 H LEU A 64 4.690 2.084 -2.498 1.00 0.00 H new ATOM 0 HA LEU A 64 2.648 1.602 -4.252 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.030 4.249 -3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.416 4.065 -4.350 1.00 0.00 H new ATOM 0 HG LEU A 64 3.289 3.148 -1.595 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.930 5.034 -0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.288 5.587 -1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.641 5.547 -2.458 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.875 2.843 -1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.546 3.270 -2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.465 1.795 -2.508 1.00 0.00 H new ATOM 867 N LYS A 65 5.338 2.645 -5.805 1.00 0.00 N ATOM 868 CA LYS A 65 5.953 2.805 -7.117 1.00 0.00 C ATOM 869 C LYS A 65 6.065 1.462 -7.833 1.00 0.00 C ATOM 870 O LYS A 65 6.044 1.399 -9.061 1.00 0.00 O ATOM 871 CB LYS A 65 7.339 3.439 -6.979 1.00 0.00 C ATOM 872 CG LYS A 65 7.310 4.848 -6.414 1.00 0.00 C ATOM 873 CD LYS A 65 6.922 5.866 -7.474 1.00 0.00 C ATOM 874 CE LYS A 65 8.093 6.193 -8.388 1.00 0.00 C ATOM 875 NZ LYS A 65 7.678 7.043 -9.538 1.00 0.00 N ATOM 0 H LYS A 65 5.984 2.746 -5.022 1.00 0.00 H new ATOM 0 HA LYS A 65 5.317 3.461 -7.711 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.954 2.811 -6.335 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.819 3.459 -7.957 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.602 4.895 -5.587 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.290 5.099 -6.009 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.094 5.478 -8.067 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.569 6.778 -6.992 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.867 6.707 -7.817 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.533 5.268 -8.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.504 7.244 -10.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.958 6.543 -10.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.282 7.937 -9.184 1.00 0.00 H new ATOM 889 N GLY A 66 6.183 0.390 -7.055 1.00 0.00 N ATOM 890 CA GLY A 66 6.295 -0.936 -7.633 1.00 0.00 C ATOM 891 C GLY A 66 7.665 -1.549 -7.417 1.00 0.00 C ATOM 892 O GLY A 66 7.845 -2.755 -7.583 1.00 0.00 O ATOM 0 H GLY A 66 6.203 0.417 -6.036 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.537 -1.585 -7.195 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.089 -0.882 -8.702 1.00 0.00 H new ATOM 896 N ARG A 67 8.632 -0.716 -7.048 1.00 0.00 N ATOM 897 CA ARG A 67 9.993 -1.182 -6.812 1.00 0.00 C ATOM 898 C ARG A 67 10.519 -0.670 -5.474 1.00 0.00 C ATOM 899 O ARG A 67 10.848 0.508 -5.334 1.00 0.00 O ATOM 900 CB ARG A 67 10.915 -0.725 -7.944 1.00 0.00 C ATOM 901 CG ARG A 67 10.644 0.695 -8.414 1.00 0.00 C ATOM 902 CD ARG A 67 11.784 1.226 -9.268 1.00 0.00 C ATOM 903 NE ARG A 67 11.677 0.789 -10.657 1.00 0.00 N ATOM 904 CZ ARG A 67 12.118 -0.386 -11.094 1.00 0.00 C ATOM 905 NH1 ARG A 67 12.693 -1.236 -10.254 1.00 0.00 N ATOM 906 NH2 ARG A 67 11.985 -0.712 -12.373 1.00 0.00 N ATOM 0 H ARG A 67 8.498 0.285 -6.906 1.00 0.00 H new ATOM 0 HA ARG A 67 9.977 -2.272 -6.783 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.950 -0.797 -7.610 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.805 -1.406 -8.788 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.717 0.719 -8.987 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.502 1.344 -7.550 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.788 2.315 -9.230 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.734 0.889 -8.854 1.00 0.00 H new ATOM 0 HE ARG A 67 11.240 1.420 -11.329 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.798 -0.989 -9.270 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.031 -2.137 -10.592 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.544 -0.061 -13.022 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.324 -1.614 -12.707 1.00 0.00 H new ATOM 920 N CYS A 68 10.596 -1.563 -4.493 1.00 0.00 N ATOM 921 CA CYS A 68 11.080 -1.203 -3.166 1.00 0.00 C ATOM 922 C CYS A 68 12.538 -1.618 -2.989 1.00 0.00 C ATOM 923 O CYS A 68 13.003 -2.572 -3.612 1.00 0.00 O ATOM 924 CB CYS A 68 10.216 -1.861 -2.089 1.00 0.00 C ATOM 925 SG CYS A 68 10.772 -1.530 -0.386 1.00 0.00 S ATOM 0 H CYS A 68 10.329 -2.542 -4.593 1.00 0.00 H new ATOM 0 HA CYS A 68 11.013 -0.120 -3.063 1.00 0.00 H new ATOM 0 HB2 CYS A 68 9.189 -1.513 -2.199 1.00 0.00 H new ATOM 0 HB3 CYS A 68 10.206 -2.938 -2.254 1.00 0.00 H new ATOM 0 HG CYS A 68 9.890 -0.794 0.223 1.00 0.00 H new ATOM 930 N SER A 69 13.254 -0.894 -2.134 1.00 0.00 N ATOM 931 CA SER A 69 14.659 -1.185 -1.876 1.00 0.00 C ATOM 932 C SER A 69 14.868 -1.616 -0.428 1.00 0.00 C ATOM 933 O SER A 69 15.591 -2.574 -0.152 1.00 0.00 O ATOM 934 CB SER A 69 15.520 0.042 -2.184 1.00 0.00 C ATOM 935 OG SER A 69 16.838 -0.123 -1.689 1.00 0.00 O ATOM 0 H SER A 69 12.884 -0.102 -1.609 1.00 0.00 H new ATOM 0 HA SER A 69 14.960 -2.005 -2.528 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.551 0.208 -3.261 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.069 0.928 -1.738 1.00 0.00 H new ATOM 0 HG SER A 69 17.369 0.674 -1.900 1.00 0.00 H new ATOM 941 N ARG A 70 14.230 -0.902 0.494 1.00 0.00 N ATOM 942 CA ARG A 70 14.346 -1.209 1.914 1.00 0.00 C ATOM 943 C ARG A 70 14.429 -2.716 2.140 1.00 0.00 C ATOM 944 O ARG A 70 13.450 -3.437 1.945 1.00 0.00 O ATOM 945 CB ARG A 70 13.154 -0.633 2.681 1.00 0.00 C ATOM 946 CG ARG A 70 13.325 0.828 3.064 1.00 0.00 C ATOM 947 CD ARG A 70 11.984 1.498 3.319 1.00 0.00 C ATOM 948 NE ARG A 70 12.139 2.840 3.873 1.00 0.00 N ATOM 949 CZ ARG A 70 12.314 3.085 5.167 1.00 0.00 C ATOM 950 NH1 ARG A 70 12.357 2.084 6.035 1.00 0.00 N ATOM 951 NH2 ARG A 70 12.448 4.334 5.594 1.00 0.00 N ATOM 0 H ARG A 70 13.627 -0.107 0.282 1.00 0.00 H new ATOM 0 HA ARG A 70 15.264 -0.752 2.285 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.256 -0.738 2.072 1.00 0.00 H new ATOM 0 HB3 ARG A 70 12.996 -1.221 3.585 1.00 0.00 H new ATOM 0 HG2 ARG A 70 13.945 0.901 3.958 1.00 0.00 H new ATOM 0 HG3 ARG A 70 13.851 1.355 2.268 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.423 1.554 2.386 1.00 0.00 H new ATOM 0 HD3 ARG A 70 11.399 0.887 4.007 1.00 0.00 H new ATOM 0 HE ARG A 70 12.111 3.633 3.232 1.00 0.00 H new ATOM 0 HH11 ARG A 70 12.256 1.122 5.710 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.492 2.275 7.028 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.417 5.107 4.929 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.582 4.522 6.588 1.00 0.00 H new ATOM 965 N GLU A 71 15.603 -3.184 2.550 1.00 0.00 N ATOM 966 CA GLU A 71 15.813 -4.605 2.800 1.00 0.00 C ATOM 967 C GLU A 71 14.857 -5.116 3.873 1.00 0.00 C ATOM 968 O GLU A 71 14.059 -6.021 3.629 1.00 0.00 O ATOM 969 CB GLU A 71 17.260 -4.863 3.227 1.00 0.00 C ATOM 970 CG GLU A 71 18.269 -4.668 2.107 1.00 0.00 C ATOM 971 CD GLU A 71 19.688 -4.982 2.539 1.00 0.00 C ATOM 972 OE1 GLU A 71 19.856 -5.756 3.505 1.00 0.00 O ATOM 973 OE2 GLU A 71 20.630 -4.453 1.913 1.00 0.00 O ATOM 0 H GLU A 71 16.423 -2.600 2.716 1.00 0.00 H new ATOM 0 HA GLU A 71 15.614 -5.143 1.873 1.00 0.00 H new ATOM 0 HB2 GLU A 71 17.511 -4.196 4.051 1.00 0.00 H new ATOM 0 HB3 GLU A 71 17.342 -5.882 3.605 1.00 0.00 H new ATOM 0 HG2 GLU A 71 18.000 -5.306 1.265 1.00 0.00 H new ATOM 0 HG3 GLU A 71 18.220 -3.638 1.754 1.00 0.00 H new ATOM 980 N ASN A 72 14.944 -4.530 5.063 1.00 0.00 N ATOM 981 CA ASN A 72 14.087 -4.926 6.175 1.00 0.00 C ATOM 982 C ASN A 72 12.872 -4.009 6.279 1.00 0.00 C ATOM 983 O ASN A 72 12.408 -3.698 7.376 1.00 0.00 O ATOM 984 CB ASN A 72 14.874 -4.900 7.487 1.00 0.00 C ATOM 985 CG ASN A 72 15.304 -3.498 7.875 1.00 0.00 C ATOM 986 OD1 ASN A 72 15.460 -2.626 7.020 1.00 0.00 O ATOM 987 ND2 ASN A 72 15.498 -3.276 9.170 1.00 0.00 N ATOM 0 H ASN A 72 15.599 -3.779 5.282 1.00 0.00 H new ATOM 0 HA ASN A 72 13.738 -5.942 5.989 1.00 0.00 H new ATOM 0 HB2 ASN A 72 14.262 -5.323 8.283 1.00 0.00 H new ATOM 0 HB3 ASN A 72 15.755 -5.534 7.392 1.00 0.00 H new ATOM 0 HD21 ASN A 72 15.788 -2.352 9.491 1.00 0.00 H new ATOM 0 HD22 ASN A 72 15.357 -4.029 9.843 1.00 0.00 H new ATOM 994 N CYS A 73 12.362 -3.580 5.130 1.00 0.00 N ATOM 995 CA CYS A 73 11.201 -2.699 5.090 1.00 0.00 C ATOM 996 C CYS A 73 10.225 -3.034 6.214 1.00 0.00 C ATOM 997 O CYS A 73 9.774 -4.172 6.341 1.00 0.00 O ATOM 998 CB CYS A 73 10.496 -2.811 3.737 1.00 0.00 C ATOM 999 SG CYS A 73 9.415 -1.398 3.342 1.00 0.00 S ATOM 0 H CYS A 73 12.735 -3.828 4.213 1.00 0.00 H new ATOM 0 HA CYS A 73 11.548 -1.675 5.227 1.00 0.00 H new ATOM 0 HB2 CYS A 73 11.248 -2.909 2.954 1.00 0.00 H new ATOM 0 HB3 CYS A 73 9.901 -3.724 3.724 1.00 0.00 H new ATOM 0 HG CYS A 73 8.187 -1.691 3.653 1.00 0.00 H new ATOM 1004 N LYS A 74 9.903 -2.034 7.027 1.00 0.00 N ATOM 1005 CA LYS A 74 8.979 -2.220 8.140 1.00 0.00 C ATOM 1006 C LYS A 74 7.537 -2.006 7.692 1.00 0.00 C ATOM 1007 O LYS A 74 6.600 -2.477 8.337 1.00 0.00 O ATOM 1008 CB LYS A 74 9.319 -1.255 9.278 1.00 0.00 C ATOM 1009 CG LYS A 74 8.910 0.182 9.000 1.00 0.00 C ATOM 1010 CD LYS A 74 8.674 0.953 10.288 1.00 0.00 C ATOM 1011 CE LYS A 74 9.976 1.491 10.862 1.00 0.00 C ATOM 1012 NZ LYS A 74 9.882 1.720 12.330 1.00 0.00 N ATOM 0 H LYS A 74 10.268 -1.086 6.936 1.00 0.00 H new ATOM 0 HA LYS A 74 9.081 -3.245 8.497 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.827 -1.594 10.190 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.393 -1.289 9.463 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.687 0.676 8.416 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.002 0.193 8.397 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.990 1.780 10.098 1.00 0.00 H new ATOM 0 HD3 LYS A 74 8.194 0.303 11.020 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.782 0.787 10.655 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.233 2.426 10.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.789 2.086 12.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.130 2.411 12.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 9.662 0.823 12.808 1.00 0.00 H new ATOM 1026 N TYR A 75 7.366 -1.296 6.583 1.00 0.00 N ATOM 1027 CA TYR A 75 6.038 -1.019 6.049 1.00 0.00 C ATOM 1028 C TYR A 75 5.598 -2.119 5.087 1.00 0.00 C ATOM 1029 O TYR A 75 6.405 -2.653 4.325 1.00 0.00 O ATOM 1030 CB TYR A 75 6.023 0.334 5.336 1.00 0.00 C ATOM 1031 CG TYR A 75 6.784 1.414 6.071 1.00 0.00 C ATOM 1032 CD1 TYR A 75 6.363 1.864 7.316 1.00 0.00 C ATOM 1033 CD2 TYR A 75 7.926 1.983 5.521 1.00 0.00 C ATOM 1034 CE1 TYR A 75 7.055 2.851 7.990 1.00 0.00 C ATOM 1035 CE2 TYR A 75 8.625 2.970 6.189 1.00 0.00 C ATOM 1036 CZ TYR A 75 8.186 3.401 7.423 1.00 0.00 C ATOM 1037 OH TYR A 75 8.879 4.383 8.092 1.00 0.00 O ATOM 0 H TYR A 75 8.131 -0.901 6.036 1.00 0.00 H new ATOM 0 HA TYR A 75 5.338 -0.989 6.884 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.449 0.215 4.340 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.990 0.655 5.205 1.00 0.00 H new ATOM 0 HD1 TYR A 75 5.479 1.435 7.765 1.00 0.00 H new ATOM 0 HD2 TYR A 75 8.273 1.648 4.555 1.00 0.00 H new ATOM 0 HE1 TYR A 75 6.712 3.191 8.956 1.00 0.00 H new ATOM 0 HE2 TYR A 75 9.511 3.402 5.747 1.00 0.00 H new ATOM 0 HH TYR A 75 9.651 4.662 7.556 1.00 0.00 H new ATOM 1047 N LEU A 76 4.312 -2.451 5.127 1.00 0.00 N ATOM 1048 CA LEU A 76 3.762 -3.486 4.259 1.00 0.00 C ATOM 1049 C LEU A 76 3.459 -2.929 2.871 1.00 0.00 C ATOM 1050 O LEU A 76 3.211 -1.734 2.712 1.00 0.00 O ATOM 1051 CB LEU A 76 2.491 -4.073 4.874 1.00 0.00 C ATOM 1052 CG LEU A 76 1.559 -4.811 3.912 1.00 0.00 C ATOM 1053 CD1 LEU A 76 2.102 -6.196 3.599 1.00 0.00 C ATOM 1054 CD2 LEU A 76 0.157 -4.906 4.496 1.00 0.00 C ATOM 0 H LEU A 76 3.631 -2.018 5.751 1.00 0.00 H new ATOM 0 HA LEU A 76 4.507 -4.275 4.159 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.780 -4.761 5.668 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.931 -3.264 5.342 1.00 0.00 H new ATOM 0 HG LEU A 76 1.507 -4.245 2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.425 -6.706 2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.086 -6.106 3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.185 -6.771 4.521 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.493 -5.434 3.798 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.192 -5.449 5.441 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.234 -3.903 4.668 1.00 0.00 H new ATOM 1066 N HIS A 77 3.480 -3.804 1.871 1.00 0.00 N ATOM 1067 CA HIS A 77 3.204 -3.400 0.497 1.00 0.00 C ATOM 1068 C HIS A 77 1.800 -3.824 0.076 1.00 0.00 C ATOM 1069 O HIS A 77 1.558 -4.973 -0.295 1.00 0.00 O ATOM 1070 CB HIS A 77 4.238 -4.005 -0.453 1.00 0.00 C ATOM 1071 CG HIS A 77 5.654 -3.722 -0.056 1.00 0.00 C ATOM 1072 ND1 HIS A 77 6.699 -3.706 -0.955 1.00 0.00 N ATOM 1073 CD2 HIS A 77 6.196 -3.440 1.152 1.00 0.00 C ATOM 1074 CE1 HIS A 77 7.822 -3.428 -0.317 1.00 0.00 C ATOM 1075 NE2 HIS A 77 7.544 -3.262 0.963 1.00 0.00 N ATOM 0 H HIS A 77 3.685 -4.797 1.986 1.00 0.00 H new ATOM 0 HA HIS A 77 3.266 -2.313 0.446 1.00 0.00 H new ATOM 0 HB2 HIS A 77 4.091 -5.084 -0.498 1.00 0.00 H new ATOM 0 HB3 HIS A 77 4.067 -3.618 -1.457 1.00 0.00 H new ATOM 0 HD2 HIS A 77 5.666 -3.368 2.090 1.00 0.00 H new ATOM 0 HE1 HIS A 77 8.801 -3.350 -0.766 1.00 0.00 H new ATOM 0 HE2 HIS A 77 8.221 -3.038 1.693 1.00 0.00 H new ATOM 1083 N PRO A 78 0.852 -2.878 0.137 1.00 0.00 N ATOM 1084 CA PRO A 78 -0.544 -3.130 -0.233 1.00 0.00 C ATOM 1085 C PRO A 78 -0.716 -3.345 -1.733 1.00 0.00 C ATOM 1086 O PRO A 78 0.015 -2.789 -2.552 1.00 0.00 O ATOM 1087 CB PRO A 78 -1.265 -1.855 0.211 1.00 0.00 C ATOM 1088 CG PRO A 78 -0.214 -0.800 0.193 1.00 0.00 C ATOM 1089 CD PRO A 78 1.069 -1.487 0.571 1.00 0.00 C ATOM 0 HA PRO A 78 -0.931 -4.038 0.230 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.085 -1.609 -0.464 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.694 -1.969 1.206 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.136 -0.344 -0.794 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -0.451 -0.001 0.896 1.00 0.00 H new ATOM 0 HD2 PRO A 78 1.927 -1.039 0.070 1.00 0.00 H new ATOM 0 HD3 PRO A 78 1.257 -1.425 1.643 1.00 0.00 H new ATOM 1097 N PRO A 79 -1.706 -4.171 -2.103 1.00 0.00 N ATOM 1098 CA PRO A 79 -1.998 -4.477 -3.507 1.00 0.00 C ATOM 1099 C PRO A 79 -2.584 -3.283 -4.251 1.00 0.00 C ATOM 1100 O PRO A 79 -3.028 -2.312 -3.638 1.00 0.00 O ATOM 1101 CB PRO A 79 -3.026 -5.608 -3.417 1.00 0.00 C ATOM 1102 CG PRO A 79 -3.679 -5.421 -2.091 1.00 0.00 C ATOM 1103 CD PRO A 79 -2.617 -4.869 -1.180 1.00 0.00 C ATOM 0 HA PRO A 79 -1.098 -4.743 -4.062 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.752 -5.549 -4.228 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.547 -6.585 -3.489 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.524 -4.736 -2.165 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -4.067 -6.366 -1.710 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -3.037 -4.189 -0.439 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -2.106 -5.661 -0.633 1.00 0.00 H new ATOM 1111 N THR A 80 -2.582 -3.359 -5.579 1.00 0.00 N ATOM 1112 CA THR A 80 -3.113 -2.284 -6.407 1.00 0.00 C ATOM 1113 C THR A 80 -4.566 -1.985 -6.056 1.00 0.00 C ATOM 1114 O THR A 80 -4.910 -0.857 -5.701 1.00 0.00 O ATOM 1115 CB THR A 80 -3.019 -2.630 -7.905 1.00 0.00 C ATOM 1116 OG1 THR A 80 -1.683 -3.027 -8.234 1.00 0.00 O ATOM 1117 CG2 THR A 80 -3.426 -1.441 -8.762 1.00 0.00 C ATOM 0 H THR A 80 -2.218 -4.155 -6.103 1.00 0.00 H new ATOM 0 HA THR A 80 -2.505 -1.402 -6.207 1.00 0.00 H new ATOM 0 HB THR A 80 -3.702 -3.455 -8.108 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.633 -3.247 -9.188 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.351 -1.710 -9.816 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.454 -1.161 -8.531 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.765 -0.600 -8.554 1.00 0.00 H new ATOM 1125 N HIS A 81 -5.415 -3.002 -6.156 1.00 0.00 N ATOM 1126 CA HIS A 81 -6.833 -2.848 -5.848 1.00 0.00 C ATOM 1127 C HIS A 81 -7.024 -2.090 -4.537 1.00 0.00 C ATOM 1128 O HIS A 81 -8.089 -1.525 -4.285 1.00 0.00 O ATOM 1129 CB HIS A 81 -7.509 -4.217 -5.762 1.00 0.00 C ATOM 1130 CG HIS A 81 -7.003 -5.066 -4.638 1.00 0.00 C ATOM 1131 ND1 HIS A 81 -7.369 -5.123 -3.336 1.00 0.00 N flip ATOM 1132 CD2 HIS A 81 -5.995 -5.995 -4.791 1.00 0.00 C flip ATOM 1133 CE1 HIS A 81 -6.585 -6.075 -2.733 1.00 0.00 C flip ATOM 1134 NE2 HIS A 81 -5.765 -6.587 -3.633 1.00 0.00 N flip ATOM 0 H HIS A 81 -5.147 -3.942 -6.448 1.00 0.00 H new ATOM 0 HA HIS A 81 -7.294 -2.273 -6.651 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.583 -4.076 -5.644 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -7.359 -4.747 -6.703 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -5.475 -6.205 -5.714 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -6.631 -6.359 -1.692 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -5.072 -7.316 -3.463 1.00 0.00 H new ATOM 1142 N LEU A 82 -5.987 -2.083 -3.707 1.00 0.00 N ATOM 1143 CA LEU A 82 -6.041 -1.395 -2.422 1.00 0.00 C ATOM 1144 C LEU A 82 -5.421 -0.005 -2.522 1.00 0.00 C ATOM 1145 O LEU A 82 -5.909 0.950 -1.916 1.00 0.00 O ATOM 1146 CB LEU A 82 -5.315 -2.213 -1.352 1.00 0.00 C ATOM 1147 CG LEU A 82 -6.103 -3.377 -0.749 1.00 0.00 C ATOM 1148 CD1 LEU A 82 -5.307 -4.038 0.366 1.00 0.00 C ATOM 1149 CD2 LEU A 82 -7.451 -2.897 -0.232 1.00 0.00 C ATOM 0 H LEU A 82 -5.099 -2.546 -3.901 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.088 -1.287 -2.140 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.396 -2.608 -1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.023 -1.541 -0.545 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.279 -4.116 -1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.883 -4.864 0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.366 -4.417 -0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.101 -3.307 1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.998 -3.738 0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.297 -2.139 0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.025 -2.470 -1.054 1.00 0.00 H new ATOM 1161 N LYS A 83 -4.344 0.103 -3.293 1.00 0.00 N ATOM 1162 CA LYS A 83 -3.659 1.377 -3.477 1.00 0.00 C ATOM 1163 C LYS A 83 -4.660 2.509 -3.684 1.00 0.00 C ATOM 1164 O LYS A 83 -4.520 3.590 -3.111 1.00 0.00 O ATOM 1165 CB LYS A 83 -2.707 1.299 -4.672 1.00 0.00 C ATOM 1166 CG LYS A 83 -1.487 0.429 -4.423 1.00 0.00 C ATOM 1167 CD LYS A 83 -0.525 0.467 -5.598 1.00 0.00 C ATOM 1168 CE LYS A 83 0.380 -0.755 -5.618 1.00 0.00 C ATOM 1169 NZ LYS A 83 1.187 -0.868 -4.371 1.00 0.00 N ATOM 0 H LYS A 83 -3.927 -0.677 -3.801 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.084 1.585 -2.575 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.250 0.910 -5.533 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.378 2.306 -4.930 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.976 0.768 -3.522 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.803 -0.599 -4.243 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.089 0.519 -6.529 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.083 1.370 -5.543 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.225 -1.653 -5.742 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.047 -0.699 -6.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.160 -1.146 -4.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.200 0.049 -3.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.765 -1.587 -3.749 1.00 0.00 H new ATOM 1183 N THR A 84 -5.673 2.254 -4.507 1.00 0.00 N ATOM 1184 CA THR A 84 -6.698 3.251 -4.789 1.00 0.00 C ATOM 1185 C THR A 84 -7.247 3.855 -3.502 1.00 0.00 C ATOM 1186 O THR A 84 -7.270 5.075 -3.339 1.00 0.00 O ATOM 1187 CB THR A 84 -7.863 2.646 -5.596 1.00 0.00 C ATOM 1188 OG1 THR A 84 -7.355 1.924 -6.723 1.00 0.00 O ATOM 1189 CG2 THR A 84 -8.814 3.734 -6.071 1.00 0.00 C ATOM 0 H THR A 84 -5.805 1.365 -4.990 1.00 0.00 H new ATOM 0 HA THR A 84 -6.223 4.034 -5.381 1.00 0.00 H new ATOM 0 HB THR A 84 -8.411 1.964 -4.946 1.00 0.00 H new ATOM 0 HG1 THR A 84 -8.101 1.541 -7.230 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.628 3.283 -6.638 1.00 0.00 H new ATOM 0 HG22 THR A 84 -9.221 4.263 -5.209 1.00 0.00 H new ATOM 0 HG23 THR A 84 -8.275 4.437 -6.706 1.00 0.00 H new ATOM 1197 N GLN A 85 -7.686 2.994 -2.590 1.00 0.00 N ATOM 1198 CA GLN A 85 -8.235 3.445 -1.316 1.00 0.00 C ATOM 1199 C GLN A 85 -7.422 4.606 -0.753 1.00 0.00 C ATOM 1200 O GLN A 85 -7.968 5.663 -0.434 1.00 0.00 O ATOM 1201 CB GLN A 85 -8.262 2.292 -0.311 1.00 0.00 C ATOM 1202 CG GLN A 85 -9.272 1.209 -0.655 1.00 0.00 C ATOM 1203 CD GLN A 85 -9.817 0.508 0.573 1.00 0.00 C ATOM 1204 OE1 GLN A 85 -11.028 0.477 0.798 1.00 0.00 O ATOM 1205 NE2 GLN A 85 -8.925 -0.058 1.377 1.00 0.00 N ATOM 0 H GLN A 85 -7.672 1.981 -2.709 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.254 3.790 -1.491 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.269 1.846 -0.255 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.490 2.689 0.678 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.098 1.651 -1.212 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.803 0.475 -1.310 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.931 -0.008 1.152 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.233 -0.543 2.220 1.00 0.00 H new ATOM 1214 N LEU A 86 -6.114 4.403 -0.635 1.00 0.00 N ATOM 1215 CA LEU A 86 -5.225 5.434 -0.110 1.00 0.00 C ATOM 1216 C LEU A 86 -5.501 6.780 -0.771 1.00 0.00 C ATOM 1217 O LEU A 86 -5.462 7.822 -0.118 1.00 0.00 O ATOM 1218 CB LEU A 86 -3.764 5.035 -0.331 1.00 0.00 C ATOM 1219 CG LEU A 86 -3.263 3.844 0.487 1.00 0.00 C ATOM 1220 CD1 LEU A 86 -1.929 3.351 -0.052 1.00 0.00 C ATOM 1221 CD2 LEU A 86 -3.141 4.219 1.956 1.00 0.00 C ATOM 0 H LEU A 86 -5.646 3.535 -0.895 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.412 5.530 0.959 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.626 4.808 -1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.135 5.896 -0.105 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.989 3.036 0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.587 2.503 0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.048 3.042 -1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.194 4.154 0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.783 3.359 2.522 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.436 5.043 2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.116 4.524 2.336 1.00 0.00 H new