USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 377 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 31 CYS SG : rot -175:sc= -0.261 USER MOD Set 1.2: A 33 CYS SG : rot -85:sc= -0.594 USER MOD Set 1.3: A 53 CYS SG : rot -171:sc= 0.515 USER MOD Set 1.4: A 56 CYS SG : rot 160:sc= -2.47 USER MOD Set 2.1: A 14 CYS SG : rot 158:sc= -0.893! USER MOD Set 2.2: A 17 CYS SG : rot -79:sc= -0.29 USER MOD Set 2.3: A 38 CYS SG : rot -138:sc= 0.587 USER MOD Set 2.4: A 41 CYS SG : rot 147:sc= -2.46 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.0882 X(o=-0.088,f=-0.077) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -170:sc= -0.233 USER MOD Single : A 36 GLN :FLIP amide:sc= -1.97! F(o=-2.9,f=-2!) USER MOD Single : A 43 HIS :FLIP no HE2:sc= -0.281 F(o=-1.5,f=-0.28) USER MOD Single : A 47 THR OG1 : rot -144:sc= -0.891 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 59:sc= -4.79! USER MOD ----------------------------------------------------------------- ATOM 165 N VAL A 12 -15.019 0.571 -2.142 1.00 0.00 N ATOM 166 CA VAL A 12 -13.611 0.105 -2.293 1.00 0.00 C ATOM 167 C VAL A 12 -13.418 -1.208 -1.530 1.00 0.00 C ATOM 168 O VAL A 12 -13.741 -1.314 -0.363 1.00 0.00 O ATOM 169 CB VAL A 12 -12.649 1.162 -1.736 1.00 0.00 C ATOM 170 CG1 VAL A 12 -11.373 1.180 -2.581 1.00 0.00 C ATOM 171 CG2 VAL A 12 -13.306 2.545 -1.786 1.00 0.00 C ATOM 0 HA VAL A 12 -13.401 -0.053 -3.351 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.407 0.916 -0.702 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.687 1.930 -2.188 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.898 0.199 -2.544 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.624 1.423 -3.614 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.617 3.290 -1.389 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.553 2.793 -2.818 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.216 2.537 -1.187 1.00 0.00 H new ATOM 181 N GLU A 13 -12.888 -2.209 -2.181 1.00 0.00 N ATOM 182 CA GLU A 13 -12.667 -3.515 -1.496 1.00 0.00 C ATOM 183 C GLU A 13 -11.260 -4.024 -1.817 1.00 0.00 C ATOM 184 O GLU A 13 -10.734 -3.790 -2.887 1.00 0.00 O ATOM 185 CB GLU A 13 -13.700 -4.533 -1.986 1.00 0.00 C ATOM 186 CG GLU A 13 -15.083 -4.165 -1.444 1.00 0.00 C ATOM 187 CD GLU A 13 -16.137 -4.416 -2.524 1.00 0.00 C ATOM 188 OE1 GLU A 13 -15.751 -4.648 -3.658 1.00 0.00 O ATOM 189 OE2 GLU A 13 -17.312 -4.373 -2.198 1.00 0.00 O ATOM 0 H GLU A 13 -12.598 -2.178 -3.159 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.772 -3.382 -0.419 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.719 -4.551 -3.076 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.424 -5.534 -1.655 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.307 -4.758 -0.557 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.100 -3.118 -1.141 1.00 0.00 H new ATOM 196 N CYS A 14 -10.648 -4.720 -0.900 1.00 0.00 N ATOM 197 CA CYS A 14 -9.277 -5.246 -1.153 1.00 0.00 C ATOM 198 C CYS A 14 -9.299 -6.158 -2.388 1.00 0.00 C ATOM 199 O CYS A 14 -10.009 -7.143 -2.408 1.00 0.00 O ATOM 200 CB CYS A 14 -8.815 -6.050 0.062 1.00 0.00 C ATOM 201 SG CYS A 14 -7.038 -6.364 -0.060 1.00 0.00 S ATOM 0 H CYS A 14 -11.038 -4.948 0.015 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.593 -4.416 -1.327 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.036 -5.503 0.978 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.359 -6.993 0.115 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.560 -6.619 1.122 1.00 0.00 H new ATOM 206 N PRO A 15 -8.524 -5.803 -3.385 1.00 0.00 N ATOM 207 CA PRO A 15 -8.443 -6.574 -4.638 1.00 0.00 C ATOM 208 C PRO A 15 -7.542 -7.802 -4.467 1.00 0.00 C ATOM 209 O PRO A 15 -7.317 -8.547 -5.401 1.00 0.00 O ATOM 210 CB PRO A 15 -7.825 -5.585 -5.628 1.00 0.00 C ATOM 211 CG PRO A 15 -7.073 -4.530 -4.781 1.00 0.00 C ATOM 212 CD PRO A 15 -7.665 -4.601 -3.361 1.00 0.00 C ATOM 0 HA PRO A 15 -9.411 -6.955 -4.963 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.143 -6.093 -6.310 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -8.595 -5.115 -6.239 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.003 -4.737 -4.765 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -7.199 -3.533 -5.204 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.882 -4.686 -2.607 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.240 -3.706 -3.124 1.00 0.00 H new ATOM 220 N LEU A 16 -7.020 -8.024 -3.290 1.00 0.00 N ATOM 221 CA LEU A 16 -6.138 -9.209 -3.090 1.00 0.00 C ATOM 222 C LEU A 16 -6.858 -10.250 -2.228 1.00 0.00 C ATOM 223 O LEU A 16 -6.476 -11.403 -2.189 1.00 0.00 O ATOM 224 CB LEU A 16 -4.830 -8.799 -2.397 1.00 0.00 C ATOM 225 CG LEU A 16 -4.652 -7.279 -2.440 1.00 0.00 C ATOM 226 CD1 LEU A 16 -3.412 -6.892 -1.632 1.00 0.00 C ATOM 227 CD2 LEU A 16 -4.475 -6.820 -3.890 1.00 0.00 C ATOM 0 H LEU A 16 -7.165 -7.441 -2.465 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.905 -9.633 -4.067 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.838 -9.141 -1.362 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.985 -9.284 -2.886 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.534 -6.800 -2.015 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.282 -5.810 -1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.536 -7.216 -0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.533 -7.374 -2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.349 -5.738 -3.916 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.594 -7.299 -4.318 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.356 -7.097 -4.469 1.00 0.00 H new ATOM 239 N CYS A 17 -7.895 -9.861 -1.535 1.00 0.00 N ATOM 240 CA CYS A 17 -8.623 -10.844 -0.681 1.00 0.00 C ATOM 241 C CYS A 17 -10.126 -10.556 -0.730 1.00 0.00 C ATOM 242 O CYS A 17 -10.897 -11.108 0.029 1.00 0.00 O ATOM 243 CB CYS A 17 -8.119 -10.744 0.765 1.00 0.00 C ATOM 244 SG CYS A 17 -8.768 -9.243 1.546 1.00 0.00 S ATOM 0 H CYS A 17 -8.268 -8.912 -1.523 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.440 -11.852 -1.054 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.433 -11.622 1.330 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.029 -10.729 0.779 1.00 0.00 H new ATOM 0 HG CYS A 17 -8.066 -8.217 1.164 1.00 0.00 H new ATOM 249 N MET A 18 -10.546 -9.696 -1.616 1.00 0.00 N ATOM 250 CA MET A 18 -11.998 -9.373 -1.712 1.00 0.00 C ATOM 251 C MET A 18 -12.542 -9.067 -0.316 1.00 0.00 C ATOM 252 O MET A 18 -12.906 -9.956 0.429 1.00 0.00 O ATOM 253 CB MET A 18 -12.751 -10.566 -2.306 1.00 0.00 C ATOM 254 CG MET A 18 -14.187 -10.152 -2.638 1.00 0.00 C ATOM 255 SD MET A 18 -14.811 -11.172 -3.997 1.00 0.00 S ATOM 256 CE MET A 18 -16.119 -10.048 -4.546 1.00 0.00 C ATOM 0 H MET A 18 -9.947 -9.203 -2.278 1.00 0.00 H new ATOM 0 HA MET A 18 -12.136 -8.504 -2.355 1.00 0.00 H new ATOM 0 HB2 MET A 18 -12.246 -10.917 -3.206 1.00 0.00 H new ATOM 0 HB3 MET A 18 -12.755 -11.395 -1.599 1.00 0.00 H new ATOM 0 HG2 MET A 18 -14.823 -10.269 -1.760 1.00 0.00 H new ATOM 0 HG3 MET A 18 -14.218 -9.099 -2.916 1.00 0.00 H new ATOM 0 HE1 MET A 18 -16.644 -10.487 -5.394 1.00 0.00 H new ATOM 0 HE2 MET A 18 -16.822 -9.882 -3.730 1.00 0.00 H new ATOM 0 HE3 MET A 18 -15.679 -9.096 -4.845 1.00 0.00 H new ATOM 266 N GLU A 19 -12.597 -7.815 0.045 1.00 0.00 N ATOM 267 CA GLU A 19 -13.115 -7.451 1.394 1.00 0.00 C ATOM 268 C GLU A 19 -13.572 -5.989 1.387 1.00 0.00 C ATOM 269 O GLU A 19 -13.081 -5.192 0.613 1.00 0.00 O ATOM 270 CB GLU A 19 -12.004 -7.632 2.430 1.00 0.00 C ATOM 271 CG GLU A 19 -12.222 -8.941 3.192 1.00 0.00 C ATOM 272 CD GLU A 19 -12.451 -8.636 4.673 1.00 0.00 C ATOM 273 OE1 GLU A 19 -12.051 -7.569 5.106 1.00 0.00 O ATOM 274 OE2 GLU A 19 -13.022 -9.476 5.349 1.00 0.00 O ATOM 0 H GLU A 19 -12.306 -7.028 -0.535 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.958 -8.094 1.647 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.032 -7.644 1.937 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -12.000 -6.792 3.124 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.080 -9.474 2.783 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.356 -9.592 3.073 1.00 0.00 H new ATOM 281 N PRO A 20 -14.503 -5.685 2.254 1.00 0.00 N ATOM 282 CA PRO A 20 -15.055 -4.324 2.381 1.00 0.00 C ATOM 283 C PRO A 20 -14.082 -3.421 3.145 1.00 0.00 C ATOM 284 O PRO A 20 -13.843 -3.606 4.322 1.00 0.00 O ATOM 285 CB PRO A 20 -16.345 -4.532 3.176 1.00 0.00 C ATOM 286 CG PRO A 20 -16.177 -5.869 3.936 1.00 0.00 C ATOM 287 CD PRO A 20 -15.091 -6.666 3.189 1.00 0.00 C ATOM 0 HA PRO A 20 -15.226 -3.840 1.420 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -16.511 -3.708 3.870 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.209 -4.568 2.512 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.885 -5.692 4.971 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -17.116 -6.422 3.960 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.342 -7.060 3.876 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.516 -7.518 2.658 1.00 0.00 H new ATOM 295 N LEU A 21 -13.521 -2.447 2.484 1.00 0.00 N ATOM 296 CA LEU A 21 -12.565 -1.533 3.170 1.00 0.00 C ATOM 297 C LEU A 21 -13.343 -0.536 4.032 1.00 0.00 C ATOM 298 O LEU A 21 -14.542 -0.644 4.196 1.00 0.00 O ATOM 299 CB LEU A 21 -11.750 -0.770 2.123 1.00 0.00 C ATOM 300 CG LEU A 21 -10.695 -1.699 1.517 1.00 0.00 C ATOM 301 CD1 LEU A 21 -10.379 -1.247 0.090 1.00 0.00 C ATOM 302 CD2 LEU A 21 -9.421 -1.641 2.364 1.00 0.00 C ATOM 0 H LEU A 21 -13.683 -2.244 1.498 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.894 -2.116 3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.408 -0.391 1.341 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.268 0.094 2.581 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.075 -2.721 1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.628 -1.908 -0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.286 -1.285 -0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.997 -0.226 0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.668 -2.302 1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.041 -0.620 2.380 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.646 -1.960 3.382 1.00 0.00 H new ATOM 314 N GLU A 22 -12.670 0.437 4.583 1.00 0.00 N ATOM 315 CA GLU A 22 -13.369 1.442 5.432 1.00 0.00 C ATOM 316 C GLU A 22 -12.608 2.769 5.380 1.00 0.00 C ATOM 317 O GLU A 22 -11.900 3.053 4.434 1.00 0.00 O ATOM 318 CB GLU A 22 -13.424 0.943 6.878 1.00 0.00 C ATOM 319 CG GLU A 22 -14.867 0.995 7.384 1.00 0.00 C ATOM 320 CD GLU A 22 -14.905 1.687 8.748 1.00 0.00 C ATOM 321 OE1 GLU A 22 -14.834 2.905 8.775 1.00 0.00 O ATOM 322 OE2 GLU A 22 -15.004 0.988 9.744 1.00 0.00 O ATOM 0 H GLU A 22 -11.665 0.579 4.482 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.383 1.588 5.060 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.044 -0.077 6.936 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.784 1.558 7.510 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -15.494 1.534 6.673 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.272 -0.014 7.465 1.00 0.00 H new ATOM 329 N ILE A 23 -12.749 3.582 6.390 1.00 0.00 N ATOM 330 CA ILE A 23 -12.036 4.890 6.401 1.00 0.00 C ATOM 331 C ILE A 23 -10.610 4.691 6.926 1.00 0.00 C ATOM 332 O ILE A 23 -9.666 5.259 6.414 1.00 0.00 O ATOM 333 CB ILE A 23 -12.792 5.867 7.312 1.00 0.00 C ATOM 334 CG1 ILE A 23 -14.011 6.420 6.568 1.00 0.00 C ATOM 335 CG2 ILE A 23 -11.872 7.025 7.707 1.00 0.00 C ATOM 336 CD1 ILE A 23 -15.116 5.362 6.537 1.00 0.00 C ATOM 0 H ILE A 23 -13.328 3.397 7.209 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.992 5.294 5.390 1.00 0.00 H new ATOM 0 HB ILE A 23 -13.117 5.341 8.210 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -14.372 7.323 7.061 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -13.733 6.700 5.552 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.413 7.716 8.354 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.004 6.635 8.239 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.543 7.550 6.810 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -15.983 5.757 6.007 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -14.752 4.471 6.025 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -15.401 5.103 7.557 1.00 0.00 H new ATOM 348 N ASP A 24 -10.448 3.898 7.950 1.00 0.00 N ATOM 349 CA ASP A 24 -9.088 3.673 8.515 1.00 0.00 C ATOM 350 C ASP A 24 -8.397 2.521 7.780 1.00 0.00 C ATOM 351 O ASP A 24 -7.624 1.782 8.355 1.00 0.00 O ATOM 352 CB ASP A 24 -9.205 3.328 10.002 1.00 0.00 C ATOM 353 CG ASP A 24 -7.988 3.874 10.752 1.00 0.00 C ATOM 354 OD1 ASP A 24 -6.880 3.602 10.319 1.00 0.00 O ATOM 355 OD2 ASP A 24 -8.185 4.557 11.743 1.00 0.00 O ATOM 0 H ASP A 24 -11.201 3.395 8.420 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.497 4.581 8.392 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.120 3.754 10.414 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.270 2.248 10.131 1.00 0.00 H new ATOM 360 N ASP A 25 -8.665 2.366 6.512 1.00 0.00 N ATOM 361 CA ASP A 25 -8.016 1.263 5.746 1.00 0.00 C ATOM 362 C ASP A 25 -7.756 1.721 4.308 1.00 0.00 C ATOM 363 O ASP A 25 -6.725 1.432 3.733 1.00 0.00 O ATOM 364 CB ASP A 25 -8.932 0.038 5.736 1.00 0.00 C ATOM 365 CG ASP A 25 -9.153 -0.445 7.171 1.00 0.00 C ATOM 366 OD1 ASP A 25 -8.171 -0.699 7.847 1.00 0.00 O ATOM 367 OD2 ASP A 25 -10.302 -0.552 7.568 1.00 0.00 O ATOM 0 H ASP A 25 -9.303 2.953 5.974 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.069 1.003 6.219 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.887 0.288 5.274 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.487 -0.757 5.138 1.00 0.00 H new ATOM 372 N ILE A 26 -8.681 2.429 3.721 1.00 0.00 N ATOM 373 CA ILE A 26 -8.484 2.902 2.321 1.00 0.00 C ATOM 374 C ILE A 26 -7.254 3.809 2.253 1.00 0.00 C ATOM 375 O ILE A 26 -6.315 3.545 1.530 1.00 0.00 O ATOM 376 CB ILE A 26 -9.718 3.686 1.867 1.00 0.00 C ATOM 377 CG1 ILE A 26 -10.916 2.739 1.762 1.00 0.00 C ATOM 378 CG2 ILE A 26 -9.447 4.312 0.498 1.00 0.00 C ATOM 379 CD1 ILE A 26 -12.188 3.552 1.521 1.00 0.00 C ATOM 0 H ILE A 26 -9.565 2.701 4.150 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.337 2.042 1.668 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.936 4.470 2.592 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.764 2.032 0.947 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.013 2.155 2.677 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.325 4.871 0.173 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.593 4.986 0.569 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.229 3.526 -0.225 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.042 2.878 1.446 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.342 4.242 2.351 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.089 4.116 0.594 1.00 0.00 H new ATOM 391 N ASN A 27 -7.254 4.880 2.999 1.00 0.00 N ATOM 392 CA ASN A 27 -6.088 5.810 2.979 1.00 0.00 C ATOM 393 C ASN A 27 -4.811 5.055 3.354 1.00 0.00 C ATOM 394 O ASN A 27 -3.714 5.532 3.143 1.00 0.00 O ATOM 395 CB ASN A 27 -6.326 6.939 3.984 1.00 0.00 C ATOM 396 CG ASN A 27 -7.648 7.637 3.660 1.00 0.00 C ATOM 397 OD1 ASN A 27 -8.608 7.514 4.394 1.00 0.00 O ATOM 398 ND2 ASN A 27 -7.738 8.367 2.584 1.00 0.00 N ATOM 0 H ASN A 27 -8.013 5.152 3.623 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.976 6.225 1.977 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -6.352 6.539 4.998 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.505 7.655 3.945 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.615 8.836 2.358 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.931 8.470 1.968 1.00 0.00 H new ATOM 405 N PHE A 28 -4.941 3.882 3.911 1.00 0.00 N ATOM 406 CA PHE A 28 -3.731 3.103 4.299 1.00 0.00 C ATOM 407 C PHE A 28 -3.315 2.190 3.143 1.00 0.00 C ATOM 408 O PHE A 28 -3.946 1.187 2.874 1.00 0.00 O ATOM 409 CB PHE A 28 -4.049 2.256 5.533 1.00 0.00 C ATOM 410 CG PHE A 28 -2.833 1.449 5.924 1.00 0.00 C ATOM 411 CD1 PHE A 28 -1.876 1.997 6.786 1.00 0.00 C ATOM 412 CD2 PHE A 28 -2.665 0.152 5.426 1.00 0.00 C ATOM 413 CE1 PHE A 28 -0.750 1.248 7.150 1.00 0.00 C ATOM 414 CE2 PHE A 28 -1.539 -0.598 5.789 1.00 0.00 C ATOM 415 CZ PHE A 28 -0.582 -0.050 6.651 1.00 0.00 C ATOM 0 H PHE A 28 -5.832 3.430 4.114 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.914 3.788 4.527 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.352 2.899 6.359 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.887 1.591 5.323 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -2.006 2.998 7.171 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.404 -0.271 4.761 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.012 1.671 7.815 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.409 -1.599 5.404 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.286 -0.628 6.931 1.00 0.00 H new ATOM 425 N PHE A 29 -2.256 2.529 2.456 1.00 0.00 N ATOM 426 CA PHE A 29 -1.803 1.678 1.318 1.00 0.00 C ATOM 427 C PHE A 29 -0.322 1.331 1.497 1.00 0.00 C ATOM 428 O PHE A 29 0.440 2.122 2.017 1.00 0.00 O ATOM 429 CB PHE A 29 -1.981 2.439 0.004 1.00 0.00 C ATOM 430 CG PHE A 29 -1.687 3.900 0.226 1.00 0.00 C ATOM 431 CD1 PHE A 29 -0.363 4.358 0.270 1.00 0.00 C ATOM 432 CD2 PHE A 29 -2.743 4.800 0.388 1.00 0.00 C ATOM 433 CE1 PHE A 29 -0.103 5.719 0.476 1.00 0.00 C ATOM 434 CE2 PHE A 29 -2.486 6.156 0.593 1.00 0.00 C ATOM 435 CZ PHE A 29 -1.165 6.619 0.637 1.00 0.00 C ATOM 0 H PHE A 29 -1.687 3.357 2.634 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.397 0.764 1.296 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.313 2.034 -0.756 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.999 2.314 -0.366 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.455 3.663 0.145 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.762 4.445 0.354 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.916 6.075 0.511 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.305 6.848 0.718 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.965 7.669 0.795 1.00 0.00 H new ATOM 445 N PRO A 30 0.040 0.156 1.053 1.00 0.00 N ATOM 446 CA PRO A 30 1.425 -0.330 1.139 1.00 0.00 C ATOM 447 C PRO A 30 2.262 0.266 0.006 1.00 0.00 C ATOM 448 O PRO A 30 3.474 0.226 0.028 1.00 0.00 O ATOM 449 CB PRO A 30 1.282 -1.844 0.964 1.00 0.00 C ATOM 450 CG PRO A 30 -0.058 -2.074 0.226 1.00 0.00 C ATOM 451 CD PRO A 30 -0.898 -0.798 0.426 1.00 0.00 C ATOM 0 HA PRO A 30 1.922 -0.056 2.070 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.116 -2.249 0.390 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.285 -2.349 1.930 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.111 -2.264 -0.834 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.576 -2.945 0.627 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.278 -0.418 -0.522 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.762 -0.985 1.064 1.00 0.00 H new ATOM 459 N CYS A 31 1.621 0.816 -0.990 1.00 0.00 N ATOM 460 CA CYS A 31 2.380 1.408 -2.126 1.00 0.00 C ATOM 461 C CYS A 31 1.941 2.859 -2.337 1.00 0.00 C ATOM 462 O CYS A 31 0.906 3.280 -1.860 1.00 0.00 O ATOM 463 CB CYS A 31 2.105 0.602 -3.392 1.00 0.00 C ATOM 464 SG CYS A 31 3.219 1.149 -4.709 1.00 0.00 S ATOM 0 H CYS A 31 0.606 0.880 -1.065 1.00 0.00 H new ATOM 0 HA CYS A 31 3.447 1.384 -1.903 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.249 -0.461 -3.198 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.068 0.732 -3.701 1.00 0.00 H new ATOM 0 HG CYS A 31 2.912 0.542 -5.817 1.00 0.00 H new ATOM 469 N THR A 32 2.723 3.626 -3.045 1.00 0.00 N ATOM 470 CA THR A 32 2.356 5.050 -3.281 1.00 0.00 C ATOM 471 C THR A 32 1.525 5.173 -4.562 1.00 0.00 C ATOM 472 O THR A 32 0.832 6.151 -4.766 1.00 0.00 O ATOM 473 CB THR A 32 3.629 5.887 -3.417 1.00 0.00 C ATOM 474 OG1 THR A 32 3.277 7.243 -3.653 1.00 0.00 O ATOM 475 CG2 THR A 32 4.468 5.362 -4.584 1.00 0.00 C ATOM 0 H THR A 32 3.601 3.328 -3.470 1.00 0.00 H new ATOM 0 HA THR A 32 1.767 5.411 -2.438 1.00 0.00 H new ATOM 0 HB THR A 32 4.211 5.817 -2.498 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.091 7.782 -3.739 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.374 5.960 -4.679 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.737 4.322 -4.400 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.891 5.429 -5.506 1.00 0.00 H new ATOM 483 N CYS A 33 1.583 4.198 -5.430 1.00 0.00 N ATOM 484 CA CYS A 33 0.790 4.287 -6.689 1.00 0.00 C ATOM 485 C CYS A 33 -0.689 4.462 -6.340 1.00 0.00 C ATOM 486 O CYS A 33 -1.430 5.117 -7.048 1.00 0.00 O ATOM 487 CB CYS A 33 0.987 3.020 -7.527 1.00 0.00 C ATOM 488 SG CYS A 33 0.159 1.619 -6.738 1.00 0.00 S ATOM 0 H CYS A 33 2.141 3.351 -5.323 1.00 0.00 H new ATOM 0 HA CYS A 33 1.130 5.143 -7.272 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.587 3.172 -8.529 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.051 2.809 -7.637 1.00 0.00 H new ATOM 0 HG CYS A 33 0.952 1.087 -5.855 1.00 0.00 H new ATOM 493 N GLY A 34 -1.126 3.900 -5.246 1.00 0.00 N ATOM 494 CA GLY A 34 -2.555 4.058 -4.850 1.00 0.00 C ATOM 495 C GLY A 34 -3.235 2.692 -4.741 1.00 0.00 C ATOM 496 O GLY A 34 -4.446 2.599 -4.707 1.00 0.00 O ATOM 0 H GLY A 34 -0.558 3.340 -4.611 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.618 4.580 -3.895 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.076 4.673 -5.584 1.00 0.00 H new ATOM 500 N TYR A 35 -2.478 1.631 -4.672 1.00 0.00 N ATOM 501 CA TYR A 35 -3.110 0.289 -4.549 1.00 0.00 C ATOM 502 C TYR A 35 -3.372 0.016 -3.068 1.00 0.00 C ATOM 503 O TYR A 35 -2.756 -0.840 -2.464 1.00 0.00 O ATOM 504 CB TYR A 35 -2.173 -0.785 -5.113 1.00 0.00 C ATOM 505 CG TYR A 35 -2.994 -1.910 -5.701 1.00 0.00 C ATOM 506 CD1 TYR A 35 -3.990 -1.625 -6.644 1.00 0.00 C ATOM 507 CD2 TYR A 35 -2.759 -3.235 -5.311 1.00 0.00 C ATOM 508 CE1 TYR A 35 -4.748 -2.663 -7.198 1.00 0.00 C ATOM 509 CE2 TYR A 35 -3.519 -4.273 -5.866 1.00 0.00 C ATOM 510 CZ TYR A 35 -4.512 -3.987 -6.810 1.00 0.00 C ATOM 511 OH TYR A 35 -5.259 -5.010 -7.356 1.00 0.00 O ATOM 0 H TYR A 35 -1.458 1.635 -4.695 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.045 0.265 -5.109 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.526 -0.354 -5.877 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.524 -1.167 -4.325 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.173 -0.604 -6.944 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.992 -3.456 -4.583 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.515 -2.442 -7.925 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -3.338 -5.294 -5.565 1.00 0.00 H new ATOM 0 HH TYR A 35 -5.081 -5.841 -6.868 1.00 0.00 H new ATOM 521 N GLN A 36 -4.275 0.751 -2.475 1.00 0.00 N ATOM 522 CA GLN A 36 -4.568 0.545 -1.027 1.00 0.00 C ATOM 523 C GLN A 36 -5.202 -0.832 -0.831 1.00 0.00 C ATOM 524 O GLN A 36 -6.126 -1.207 -1.526 1.00 0.00 O ATOM 525 CB GLN A 36 -5.528 1.631 -0.522 1.00 0.00 C ATOM 526 CG GLN A 36 -5.294 2.941 -1.279 1.00 0.00 C ATOM 527 CD GLN A 36 -6.505 3.239 -2.165 1.00 0.00 C ATOM 528 OE1 GLN A 36 -7.461 3.994 -1.699 1.00 0.00 O flip ATOM 529 NE2 GLN A 36 -6.581 2.781 -3.287 1.00 0.00 N flip ATOM 0 H GLN A 36 -4.821 1.483 -2.929 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.638 0.606 -0.461 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.559 1.305 -0.656 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.380 1.789 0.546 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.135 3.758 -0.575 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -4.393 2.866 -1.888 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.832 2.191 -3.649 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.394 2.986 -3.868 1.00 0.00 H new ATOM 538 N ILE A 37 -4.707 -1.592 0.107 1.00 0.00 N ATOM 539 CA ILE A 37 -5.274 -2.950 0.344 1.00 0.00 C ATOM 540 C ILE A 37 -5.534 -3.147 1.840 1.00 0.00 C ATOM 541 O ILE A 37 -4.867 -2.570 2.675 1.00 0.00 O ATOM 542 CB ILE A 37 -4.271 -4.001 -0.129 1.00 0.00 C ATOM 543 CG1 ILE A 37 -2.881 -3.650 0.408 1.00 0.00 C ATOM 544 CG2 ILE A 37 -4.235 -4.025 -1.657 1.00 0.00 C ATOM 545 CD1 ILE A 37 -1.970 -4.875 0.313 1.00 0.00 C ATOM 0 H ILE A 37 -3.934 -1.331 0.720 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.210 -3.052 -0.205 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.570 -4.982 0.240 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.457 -2.824 -0.163 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.953 -3.317 1.444 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -3.519 -4.775 -1.992 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.225 -4.271 -2.040 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.935 -3.045 -2.029 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.981 -4.623 0.696 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.391 -5.688 0.904 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.888 -5.187 -0.728 1.00 0.00 H new ATOM 557 N CYS A 38 -6.495 -3.962 2.181 1.00 0.00 N ATOM 558 CA CYS A 38 -6.793 -4.205 3.620 1.00 0.00 C ATOM 559 C CYS A 38 -5.474 -4.385 4.383 1.00 0.00 C ATOM 560 O CYS A 38 -4.448 -4.675 3.801 1.00 0.00 O ATOM 561 CB CYS A 38 -7.678 -5.459 3.753 1.00 0.00 C ATOM 562 SG CYS A 38 -6.668 -6.967 3.707 1.00 0.00 S ATOM 0 H CYS A 38 -7.087 -4.470 1.524 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.330 -3.356 4.043 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.237 -5.418 4.688 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.410 -5.481 2.945 1.00 0.00 H new ATOM 0 HG CYS A 38 -7.257 -7.861 2.970 1.00 0.00 H new ATOM 567 N ARG A 39 -5.485 -4.204 5.676 1.00 0.00 N ATOM 568 CA ARG A 39 -4.224 -4.356 6.459 1.00 0.00 C ATOM 569 C ARG A 39 -3.910 -5.840 6.668 1.00 0.00 C ATOM 570 O ARG A 39 -2.850 -6.196 7.146 1.00 0.00 O ATOM 571 CB ARG A 39 -4.383 -3.672 7.819 1.00 0.00 C ATOM 572 CG ARG A 39 -3.822 -2.250 7.745 1.00 0.00 C ATOM 573 CD ARG A 39 -2.626 -2.123 8.691 1.00 0.00 C ATOM 574 NE ARG A 39 -2.583 -0.744 9.255 1.00 0.00 N ATOM 575 CZ ARG A 39 -2.506 -0.569 10.547 1.00 0.00 C ATOM 576 NH1 ARG A 39 -3.172 -1.350 11.352 1.00 0.00 N ATOM 577 NH2 ARG A 39 -1.763 0.389 11.032 1.00 0.00 N ATOM 0 H ARG A 39 -6.310 -3.958 6.223 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.405 -3.893 5.908 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.435 -3.645 8.103 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.860 -4.241 8.587 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.517 -2.021 6.724 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.593 -1.529 8.017 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.706 -2.854 9.495 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.701 -2.338 8.156 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.614 0.063 8.632 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.753 -2.098 10.972 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.112 -1.213 12.361 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.243 1.000 10.402 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.702 0.526 12.041 1.00 0.00 H new ATOM 591 N PHE A 40 -4.816 -6.711 6.319 1.00 0.00 N ATOM 592 CA PHE A 40 -4.560 -8.169 6.506 1.00 0.00 C ATOM 593 C PHE A 40 -3.793 -8.720 5.299 1.00 0.00 C ATOM 594 O PHE A 40 -3.221 -9.790 5.353 1.00 0.00 O ATOM 595 CB PHE A 40 -5.896 -8.905 6.636 1.00 0.00 C ATOM 596 CG PHE A 40 -5.821 -9.895 7.773 1.00 0.00 C ATOM 597 CD1 PHE A 40 -4.714 -10.744 7.892 1.00 0.00 C ATOM 598 CD2 PHE A 40 -6.859 -9.963 8.708 1.00 0.00 C ATOM 599 CE1 PHE A 40 -4.647 -11.663 8.946 1.00 0.00 C ATOM 600 CE2 PHE A 40 -6.793 -10.882 9.763 1.00 0.00 C ATOM 601 CZ PHE A 40 -5.687 -11.732 9.881 1.00 0.00 C ATOM 0 H PHE A 40 -5.722 -6.478 5.913 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.967 -8.318 7.408 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -6.700 -8.191 6.815 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.130 -9.422 5.705 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.912 -10.690 7.171 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -7.712 -9.307 8.616 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -3.794 -12.318 9.038 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -7.595 -10.935 10.485 1.00 0.00 H new ATOM 0 HZ PHE A 40 -5.636 -12.441 10.694 1.00 0.00 H new ATOM 611 N CYS A 41 -3.776 -7.998 4.212 1.00 0.00 N ATOM 612 CA CYS A 41 -3.047 -8.480 3.004 1.00 0.00 C ATOM 613 C CYS A 41 -1.610 -7.959 3.030 1.00 0.00 C ATOM 614 O CYS A 41 -0.692 -8.610 2.572 1.00 0.00 O ATOM 615 CB CYS A 41 -3.756 -7.973 1.746 1.00 0.00 C ATOM 616 SG CYS A 41 -5.003 -9.179 1.231 1.00 0.00 S ATOM 0 H CYS A 41 -4.236 -7.094 4.108 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.034 -9.570 2.998 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -4.226 -7.009 1.943 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -3.033 -7.817 0.946 1.00 0.00 H new ATOM 0 HG CYS A 41 -6.010 -8.559 0.692 1.00 0.00 H new ATOM 621 N TRP A 42 -1.409 -6.782 3.560 1.00 0.00 N ATOM 622 CA TRP A 42 -0.034 -6.212 3.612 1.00 0.00 C ATOM 623 C TRP A 42 0.773 -6.913 4.709 1.00 0.00 C ATOM 624 O TRP A 42 1.977 -7.044 4.616 1.00 0.00 O ATOM 625 CB TRP A 42 -0.117 -4.713 3.915 1.00 0.00 C ATOM 626 CG TRP A 42 1.256 -4.176 4.169 1.00 0.00 C ATOM 627 CD1 TRP A 42 2.230 -4.064 3.237 1.00 0.00 C ATOM 628 CD2 TRP A 42 1.820 -3.675 5.415 1.00 0.00 C ATOM 629 NE1 TRP A 42 3.358 -3.530 3.833 1.00 0.00 N ATOM 630 CE2 TRP A 42 3.155 -3.272 5.175 1.00 0.00 C ATOM 631 CE3 TRP A 42 1.309 -3.533 6.718 1.00 0.00 C ATOM 632 CZ2 TRP A 42 3.955 -2.747 6.191 1.00 0.00 C ATOM 633 CZ3 TRP A 42 2.110 -3.006 7.743 1.00 0.00 C ATOM 634 CH2 TRP A 42 3.431 -2.612 7.479 1.00 0.00 C ATOM 0 H TRP A 42 -2.139 -6.191 3.959 1.00 0.00 H new ATOM 0 HA TRP A 42 0.458 -6.363 2.651 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.575 -4.187 3.077 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.752 -4.542 4.784 1.00 0.00 H new ATOM 0 HD1 TRP A 42 2.141 -4.345 2.198 1.00 0.00 H new ATOM 0 HE1 TRP A 42 4.233 -3.349 3.342 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.293 -3.832 6.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.972 -2.447 5.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.708 -2.903 8.740 1.00 0.00 H new ATOM 0 HH2 TRP A 42 4.042 -2.205 8.271 1.00 0.00 H new ATOM 645 N HIS A 43 0.122 -7.362 5.746 1.00 0.00 N ATOM 646 CA HIS A 43 0.856 -8.052 6.844 1.00 0.00 C ATOM 647 C HIS A 43 1.361 -9.409 6.347 1.00 0.00 C ATOM 648 O HIS A 43 2.187 -10.041 6.974 1.00 0.00 O ATOM 649 CB HIS A 43 -0.082 -8.261 8.034 1.00 0.00 C ATOM 650 CG HIS A 43 -0.156 -6.995 8.843 1.00 0.00 C ATOM 651 ND1 HIS A 43 -0.477 -5.705 8.502 1.00 0.00 N flip ATOM 652 CD2 HIS A 43 0.127 -6.969 10.199 1.00 0.00 C flip ATOM 653 CE1 HIS A 43 -0.396 -4.888 9.627 1.00 0.00 C flip ATOM 654 NE2 HIS A 43 -0.028 -5.701 10.621 1.00 0.00 N flip ATOM 0 H HIS A 43 -0.886 -7.281 5.881 1.00 0.00 H new ATOM 0 HA HIS A 43 1.703 -7.440 7.154 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.076 -8.539 7.683 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.278 -9.081 8.655 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -0.736 -5.392 7.566 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.419 -7.813 10.807 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.589 -3.827 9.684 1.00 0.00 H new ATOM 662 N ARG A 44 0.873 -9.860 5.224 1.00 0.00 N ATOM 663 CA ARG A 44 1.327 -11.174 4.687 1.00 0.00 C ATOM 664 C ARG A 44 2.373 -10.937 3.595 1.00 0.00 C ATOM 665 O ARG A 44 3.302 -11.701 3.435 1.00 0.00 O ATOM 666 CB ARG A 44 0.133 -11.927 4.094 1.00 0.00 C ATOM 667 CG ARG A 44 0.239 -13.412 4.447 1.00 0.00 C ATOM 668 CD ARG A 44 -0.781 -13.752 5.537 1.00 0.00 C ATOM 669 NE ARG A 44 -0.913 -15.232 5.652 1.00 0.00 N ATOM 670 CZ ARG A 44 -2.083 -15.765 5.876 1.00 0.00 C ATOM 671 NH1 ARG A 44 -2.306 -16.401 6.994 1.00 0.00 N ATOM 672 NH2 ARG A 44 -3.028 -15.664 4.983 1.00 0.00 N ATOM 0 H ARG A 44 0.179 -9.375 4.655 1.00 0.00 H new ATOM 0 HA ARG A 44 1.763 -11.766 5.492 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.799 -11.516 4.482 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.111 -11.800 3.012 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.057 -14.021 3.561 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.247 -13.644 4.792 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.464 -13.330 6.491 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.747 -13.308 5.297 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.090 -15.827 5.556 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.566 -16.481 7.692 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.220 -16.818 7.170 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.853 -15.168 4.109 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.942 -16.081 5.159 1.00 0.00 H new ATOM 686 N ILE A 45 2.227 -9.881 2.842 1.00 0.00 N ATOM 687 CA ILE A 45 3.214 -9.592 1.763 1.00 0.00 C ATOM 688 C ILE A 45 4.531 -9.130 2.393 1.00 0.00 C ATOM 689 O ILE A 45 5.603 -9.441 1.913 1.00 0.00 O ATOM 690 CB ILE A 45 2.656 -8.494 0.850 1.00 0.00 C ATOM 691 CG1 ILE A 45 1.621 -9.101 -0.101 1.00 0.00 C ATOM 692 CG2 ILE A 45 3.789 -7.866 0.030 1.00 0.00 C ATOM 693 CD1 ILE A 45 0.391 -8.192 -0.168 1.00 0.00 C ATOM 0 H ILE A 45 1.467 -9.206 2.927 1.00 0.00 H new ATOM 0 HA ILE A 45 3.395 -10.491 1.174 1.00 0.00 H new ATOM 0 HB ILE A 45 2.188 -7.724 1.464 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.052 -9.221 -1.095 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.334 -10.094 0.244 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.383 -7.087 -0.615 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.527 -7.431 0.703 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.264 -8.633 -0.582 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.345 -8.625 -0.845 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.044 -8.095 0.827 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.685 -7.208 -0.533 1.00 0.00 H new ATOM 705 N ARG A 46 4.459 -8.388 3.465 1.00 0.00 N ATOM 706 CA ARG A 46 5.705 -7.903 4.125 1.00 0.00 C ATOM 707 C ARG A 46 6.163 -8.928 5.166 1.00 0.00 C ATOM 708 O ARG A 46 6.831 -8.594 6.126 1.00 0.00 O ATOM 709 CB ARG A 46 5.431 -6.564 4.812 1.00 0.00 C ATOM 710 CG ARG A 46 6.757 -5.875 5.136 1.00 0.00 C ATOM 711 CD ARG A 46 6.797 -4.500 4.465 1.00 0.00 C ATOM 712 NE ARG A 46 8.214 -4.071 4.295 1.00 0.00 N ATOM 713 CZ ARG A 46 8.583 -2.875 4.665 1.00 0.00 C ATOM 714 NH1 ARG A 46 9.022 -2.024 3.779 1.00 0.00 N ATOM 715 NH2 ARG A 46 8.513 -2.531 5.922 1.00 0.00 N ATOM 0 H ARG A 46 3.590 -8.096 3.913 1.00 0.00 H new ATOM 0 HA ARG A 46 6.486 -7.773 3.376 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.827 -5.928 4.164 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.859 -6.723 5.726 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.869 -5.768 6.215 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.590 -6.485 4.788 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.300 -4.542 3.496 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.256 -3.772 5.070 1.00 0.00 H new ATOM 0 HE ARG A 46 8.896 -4.712 3.889 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.077 -2.293 2.797 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.310 -1.089 4.069 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.170 -3.197 6.615 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.801 -1.596 6.212 1.00 0.00 H new ATOM 729 N THR A 47 5.814 -10.172 4.986 1.00 0.00 N ATOM 730 CA THR A 47 6.233 -11.212 5.968 1.00 0.00 C ATOM 731 C THR A 47 6.717 -12.454 5.218 1.00 0.00 C ATOM 732 O THR A 47 7.693 -13.074 5.590 1.00 0.00 O ATOM 733 CB THR A 47 5.047 -11.584 6.861 1.00 0.00 C ATOM 734 OG1 THR A 47 3.879 -11.728 6.062 1.00 0.00 O ATOM 735 CG2 THR A 47 4.824 -10.488 7.903 1.00 0.00 C ATOM 0 H THR A 47 5.257 -10.513 4.202 1.00 0.00 H new ATOM 0 HA THR A 47 7.041 -10.821 6.586 1.00 0.00 H new ATOM 0 HB THR A 47 5.258 -12.525 7.369 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.100 -11.403 6.560 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.979 -10.756 8.537 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.719 -10.382 8.516 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.615 -9.544 7.399 1.00 0.00 H new ATOM 743 N ASP A 48 6.041 -12.822 4.164 1.00 0.00 N ATOM 744 CA ASP A 48 6.460 -14.024 3.390 1.00 0.00 C ATOM 745 C ASP A 48 6.960 -13.591 2.011 1.00 0.00 C ATOM 746 O ASP A 48 7.823 -14.218 1.427 1.00 0.00 O ATOM 747 CB ASP A 48 5.267 -14.968 3.228 1.00 0.00 C ATOM 748 CG ASP A 48 5.760 -16.339 2.759 1.00 0.00 C ATOM 749 OD1 ASP A 48 6.559 -16.933 3.465 1.00 0.00 O ATOM 750 OD2 ASP A 48 5.329 -16.772 1.702 1.00 0.00 O ATOM 0 H ASP A 48 5.216 -12.341 3.805 1.00 0.00 H new ATOM 0 HA ASP A 48 7.260 -14.539 3.922 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.736 -15.065 4.175 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.560 -14.558 2.507 1.00 0.00 H new ATOM 755 N GLU A 49 6.426 -12.524 1.483 1.00 0.00 N ATOM 756 CA GLU A 49 6.872 -12.050 0.143 1.00 0.00 C ATOM 757 C GLU A 49 8.053 -11.093 0.309 1.00 0.00 C ATOM 758 O GLU A 49 8.800 -11.173 1.264 1.00 0.00 O ATOM 759 CB GLU A 49 5.717 -11.325 -0.550 1.00 0.00 C ATOM 760 CG GLU A 49 5.626 -11.781 -2.008 1.00 0.00 C ATOM 761 CD GLU A 49 4.994 -10.673 -2.852 1.00 0.00 C ATOM 762 OE1 GLU A 49 4.088 -10.023 -2.357 1.00 0.00 O ATOM 763 OE2 GLU A 49 5.428 -10.494 -3.978 1.00 0.00 O ATOM 0 H GLU A 49 5.699 -11.959 1.923 1.00 0.00 H new ATOM 0 HA GLU A 49 7.180 -12.903 -0.462 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.780 -11.535 -0.034 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.871 -10.247 -0.504 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.619 -12.020 -2.388 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.030 -12.691 -2.079 1.00 0.00 H new ATOM 770 N ASN A 50 8.231 -10.184 -0.612 1.00 0.00 N ATOM 771 CA ASN A 50 9.365 -9.225 -0.501 1.00 0.00 C ATOM 772 C ASN A 50 8.831 -7.840 -0.126 1.00 0.00 C ATOM 773 O ASN A 50 9.585 -6.933 0.165 1.00 0.00 O ATOM 774 CB ASN A 50 10.097 -9.141 -1.842 1.00 0.00 C ATOM 775 CG ASN A 50 11.532 -8.663 -1.612 1.00 0.00 C ATOM 776 OD1 ASN A 50 12.378 -9.424 -1.189 1.00 0.00 O ATOM 777 ND2 ASN A 50 11.844 -7.421 -1.873 1.00 0.00 N ATOM 0 H ASN A 50 7.640 -10.065 -1.435 1.00 0.00 H new ATOM 0 HA ASN A 50 10.055 -9.569 0.270 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.101 -10.117 -2.328 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.577 -8.455 -2.510 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.797 -7.092 -1.721 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.134 -6.781 -2.228 1.00 0.00 H new ATOM 784 N GLY A 51 7.538 -7.669 -0.132 1.00 0.00 N ATOM 785 CA GLY A 51 6.962 -6.341 0.224 1.00 0.00 C ATOM 786 C GLY A 51 6.879 -5.469 -1.030 1.00 0.00 C ATOM 787 O GLY A 51 7.197 -4.296 -1.004 1.00 0.00 O ATOM 0 H GLY A 51 6.856 -8.390 -0.368 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.970 -6.467 0.658 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.581 -5.855 0.978 1.00 0.00 H new ATOM 791 N LEU A 52 6.456 -6.032 -2.127 1.00 0.00 N ATOM 792 CA LEU A 52 6.353 -5.236 -3.382 1.00 0.00 C ATOM 793 C LEU A 52 4.884 -4.928 -3.673 1.00 0.00 C ATOM 794 O LEU A 52 3.993 -5.413 -3.004 1.00 0.00 O ATOM 795 CB LEU A 52 6.949 -6.039 -4.543 1.00 0.00 C ATOM 796 CG LEU A 52 8.475 -6.027 -4.438 1.00 0.00 C ATOM 797 CD1 LEU A 52 9.071 -6.861 -5.574 1.00 0.00 C ATOM 798 CD2 LEU A 52 8.982 -4.586 -4.544 1.00 0.00 C ATOM 0 H LEU A 52 6.177 -7.010 -2.209 1.00 0.00 H new ATOM 0 HA LEU A 52 6.901 -4.301 -3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.580 -7.064 -4.518 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.636 -5.610 -5.495 1.00 0.00 H new ATOM 0 HG LEU A 52 8.777 -6.450 -3.480 1.00 0.00 H new ATOM 0 HD11 LEU A 52 10.158 -6.853 -5.500 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.710 -7.887 -5.500 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.770 -6.438 -6.532 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.069 -4.576 -4.469 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.680 -4.164 -5.503 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.558 -3.991 -3.736 1.00 0.00 H new ATOM 810 N CYS A 53 4.623 -4.120 -4.663 1.00 0.00 N ATOM 811 CA CYS A 53 3.212 -3.774 -4.989 1.00 0.00 C ATOM 812 C CYS A 53 2.623 -4.831 -5.932 1.00 0.00 C ATOM 813 O CYS A 53 3.186 -5.106 -6.973 1.00 0.00 O ATOM 814 CB CYS A 53 3.176 -2.413 -5.683 1.00 0.00 C ATOM 815 SG CYS A 53 1.461 -1.855 -5.829 1.00 0.00 S ATOM 0 H CYS A 53 5.326 -3.685 -5.260 1.00 0.00 H new ATOM 0 HA CYS A 53 2.628 -3.741 -4.070 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.758 -1.688 -5.115 1.00 0.00 H new ATOM 0 HB3 CYS A 53 3.632 -2.484 -6.671 1.00 0.00 H new ATOM 0 HG CYS A 53 1.411 -0.797 -6.583 1.00 0.00 H new ATOM 820 N PRO A 54 1.500 -5.387 -5.546 1.00 0.00 N ATOM 821 CA PRO A 54 0.807 -6.409 -6.348 1.00 0.00 C ATOM 822 C PRO A 54 -0.004 -5.747 -7.468 1.00 0.00 C ATOM 823 O PRO A 54 -0.811 -6.380 -8.118 1.00 0.00 O ATOM 824 CB PRO A 54 -0.126 -7.085 -5.339 1.00 0.00 C ATOM 825 CG PRO A 54 -0.342 -6.063 -4.196 1.00 0.00 C ATOM 826 CD PRO A 54 0.821 -5.057 -4.277 1.00 0.00 C ATOM 0 HA PRO A 54 1.489 -7.108 -6.831 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.074 -7.353 -5.805 1.00 0.00 H new ATOM 0 HB3 PRO A 54 0.315 -8.007 -4.959 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.301 -5.556 -4.306 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.355 -6.563 -3.227 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.459 -4.029 -4.275 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.495 -5.159 -3.427 1.00 0.00 H new ATOM 834 N ALA A 55 0.194 -4.473 -7.692 1.00 0.00 N ATOM 835 CA ALA A 55 -0.581 -3.780 -8.759 1.00 0.00 C ATOM 836 C ALA A 55 0.364 -3.005 -9.683 1.00 0.00 C ATOM 837 O ALA A 55 0.110 -2.869 -10.864 1.00 0.00 O ATOM 838 CB ALA A 55 -1.571 -2.808 -8.114 1.00 0.00 C ATOM 0 H ALA A 55 0.856 -3.887 -7.184 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.120 -4.523 -9.347 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.140 -2.299 -8.892 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.253 -3.359 -7.467 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.026 -2.072 -7.523 1.00 0.00 H new ATOM 844 N CYS A 56 1.445 -2.487 -9.164 1.00 0.00 N ATOM 845 CA CYS A 56 2.381 -1.718 -10.035 1.00 0.00 C ATOM 846 C CYS A 56 3.815 -2.243 -9.866 1.00 0.00 C ATOM 847 O CYS A 56 4.717 -1.830 -10.565 1.00 0.00 O ATOM 848 CB CYS A 56 2.296 -0.220 -9.683 1.00 0.00 C ATOM 849 SG CYS A 56 3.387 0.187 -8.294 1.00 0.00 S ATOM 0 H CYS A 56 1.719 -2.562 -8.184 1.00 0.00 H new ATOM 0 HA CYS A 56 2.097 -1.848 -11.079 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.571 0.377 -10.552 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.268 0.040 -9.430 1.00 0.00 H new ATOM 0 HG CYS A 56 3.625 1.465 -8.289 1.00 0.00 H new ATOM 854 N ARG A 57 4.024 -3.157 -8.950 1.00 0.00 N ATOM 855 CA ARG A 57 5.392 -3.729 -8.734 1.00 0.00 C ATOM 856 C ARG A 57 6.215 -2.812 -7.813 1.00 0.00 C ATOM 857 O ARG A 57 6.976 -3.278 -6.989 1.00 0.00 O ATOM 858 CB ARG A 57 6.095 -3.931 -10.095 1.00 0.00 C ATOM 859 CG ARG A 57 7.085 -2.795 -10.394 1.00 0.00 C ATOM 860 CD ARG A 57 8.442 -3.123 -9.770 1.00 0.00 C ATOM 861 NE ARG A 57 9.493 -3.106 -10.828 1.00 0.00 N ATOM 862 CZ ARG A 57 10.076 -1.984 -11.151 1.00 0.00 C ATOM 863 NH1 ARG A 57 9.610 -1.266 -12.136 1.00 0.00 N ATOM 864 NH2 ARG A 57 11.127 -1.580 -10.489 1.00 0.00 N ATOM 0 H ARG A 57 3.301 -3.535 -8.338 1.00 0.00 H new ATOM 0 HA ARG A 57 5.304 -4.699 -8.246 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.624 -4.884 -10.094 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.348 -3.981 -10.887 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.190 -2.664 -11.471 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.707 -1.854 -9.994 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.682 -2.397 -8.993 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.407 -4.102 -9.292 1.00 0.00 H new ATOM 0 HE ARG A 57 9.756 -3.971 -11.299 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.790 -1.582 -12.654 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.066 -0.389 -12.388 1.00 0.00 H new ATOM 0 HH21 ARG A 57 11.492 -2.141 -9.720 1.00 0.00 H new ATOM 0 HH22 ARG A 57 11.583 -0.703 -10.741 1.00 0.00 H new ATOM 878 N LYS A 58 6.069 -1.522 -7.946 1.00 0.00 N ATOM 879 CA LYS A 58 6.843 -0.587 -7.079 1.00 0.00 C ATOM 880 C LYS A 58 6.840 -1.108 -5.636 1.00 0.00 C ATOM 881 O LYS A 58 5.841 -1.616 -5.167 1.00 0.00 O ATOM 882 CB LYS A 58 6.190 0.796 -7.121 1.00 0.00 C ATOM 883 CG LYS A 58 7.210 1.859 -6.710 1.00 0.00 C ATOM 884 CD LYS A 58 6.713 3.239 -7.145 1.00 0.00 C ATOM 885 CE LYS A 58 7.249 4.299 -6.181 1.00 0.00 C ATOM 886 NZ LYS A 58 8.252 5.146 -6.885 1.00 0.00 N ATOM 0 H LYS A 58 5.446 -1.074 -8.618 1.00 0.00 H new ATOM 0 HA LYS A 58 7.870 -0.519 -7.439 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.818 1.003 -8.125 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.331 0.824 -6.451 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.358 1.838 -5.630 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.176 1.648 -7.168 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.045 3.454 -8.161 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.623 3.259 -7.155 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.431 4.917 -5.811 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.705 3.821 -5.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.618 5.867 -6.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.037 4.550 -7.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.803 5.612 -7.699 1.00 0.00 H new ATOM 900 N PRO A 59 7.963 -0.965 -4.973 1.00 0.00 N ATOM 901 CA PRO A 59 8.120 -1.415 -3.579 1.00 0.00 C ATOM 902 C PRO A 59 7.470 -0.418 -2.613 1.00 0.00 C ATOM 903 O PRO A 59 7.562 0.782 -2.786 1.00 0.00 O ATOM 904 CB PRO A 59 9.638 -1.453 -3.382 1.00 0.00 C ATOM 905 CG PRO A 59 10.239 -0.503 -4.446 1.00 0.00 C ATOM 906 CD PRO A 59 9.175 -0.347 -5.549 1.00 0.00 C ATOM 0 HA PRO A 59 7.644 -2.376 -3.386 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.908 -1.130 -2.376 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.021 -2.466 -3.505 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.486 0.464 -4.007 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.163 -0.913 -4.854 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.008 0.701 -5.796 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.478 -0.847 -6.469 1.00 0.00 H new ATOM 914 N TYR A 60 6.813 -0.908 -1.598 1.00 0.00 N ATOM 915 CA TYR A 60 6.154 0.005 -0.618 1.00 0.00 C ATOM 916 C TYR A 60 7.129 1.116 -0.212 1.00 0.00 C ATOM 917 O TYR A 60 8.310 0.873 -0.066 1.00 0.00 O ATOM 918 CB TYR A 60 5.756 -0.793 0.625 1.00 0.00 C ATOM 919 CG TYR A 60 5.010 -2.041 0.212 1.00 0.00 C ATOM 920 CD1 TYR A 60 4.326 -2.077 -1.008 1.00 0.00 C ATOM 921 CD2 TYR A 60 5.003 -3.160 1.053 1.00 0.00 C ATOM 922 CE1 TYR A 60 3.635 -3.233 -1.389 1.00 0.00 C ATOM 923 CE2 TYR A 60 4.311 -4.316 0.672 1.00 0.00 C ATOM 924 CZ TYR A 60 3.627 -4.352 -0.549 1.00 0.00 C ATOM 925 OH TYR A 60 2.944 -5.491 -0.923 1.00 0.00 O ATOM 0 H TYR A 60 6.703 -1.903 -1.404 1.00 0.00 H new ATOM 0 HA TYR A 60 5.268 0.448 -1.074 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.644 -1.061 1.197 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.130 -0.182 1.276 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.331 -1.213 -1.656 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.531 -3.132 1.995 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.108 -3.261 -2.331 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.305 -5.180 1.320 1.00 0.00 H new ATOM 0 HH TYR A 60 3.296 -5.818 -1.777 1.00 0.00 H new ATOM 935 N PRO A 61 6.604 2.304 -0.035 1.00 0.00 N ATOM 936 CA PRO A 61 7.407 3.473 0.363 1.00 0.00 C ATOM 937 C PRO A 61 7.708 3.423 1.864 1.00 0.00 C ATOM 938 O PRO A 61 6.896 2.988 2.655 1.00 0.00 O ATOM 939 CB PRO A 61 6.505 4.662 0.026 1.00 0.00 C ATOM 940 CG PRO A 61 5.058 4.116 -0.003 1.00 0.00 C ATOM 941 CD PRO A 61 5.164 2.595 -0.217 1.00 0.00 C ATOM 0 HA PRO A 61 8.372 3.524 -0.141 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.608 5.451 0.771 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.776 5.095 -0.937 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.541 4.341 0.930 1.00 0.00 H new ATOM 0 HG3 PRO A 61 4.485 4.581 -0.805 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.553 2.048 0.501 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.822 2.308 -1.211 1.00 0.00 H new