USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=12 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 -121:sc= -0.258 USER MOD Set 1.2: A 33 CYS SG : rot 150:sc= 0.431 USER MOD Set 1.3: A 53 CYS SG : rot 155:sc= 0.725 USER MOD Set 1.4: A 56 CYS SG : rot -64:sc= -2.02! USER MOD Set 2.1: A 14 CYS SG : rot 40:sc= 0.537 USER MOD Set 2.2: A 17 CYS SG : rot -75:sc= 0.68 USER MOD Set 2.3: A 38 CYS SG : rot 137:sc= -2.01! USER MOD Set 2.4: A 41 CYS SG : rot 176:sc= -0.0422 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -2.02 K(o=-2,f=-4!) USER MOD Single : A 32 THR OG1 : rot -61:sc= 0.357 USER MOD Single : A 35 TYR OH : rot 180:sc= -1.25 USER MOD Single : A 36 GLN : amide:sc= -5.94! C(o=-5.9!,f=-8.9!) USER MOD Single : A 43 HIS : no HD1:sc= -0.802 K(o=-0.8,f=0.2) USER MOD Single : A 47 THR OG1 : rot 90:sc= 0.335 USER MOD Single : A 50 ASN : amide:sc= -0.825 K(o=-0.83,f=-3.3!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 117:sc= -2.27! USER MOD ----------------------------------------------------------------- ATOM 165 N VAL A 12 -13.786 1.800 -1.350 1.00 0.00 N ATOM 166 CA VAL A 12 -12.706 0.908 -1.854 1.00 0.00 C ATOM 167 C VAL A 12 -12.747 -0.417 -1.091 1.00 0.00 C ATOM 168 O VAL A 12 -13.049 -0.456 0.086 1.00 0.00 O ATOM 169 CB VAL A 12 -11.351 1.581 -1.636 1.00 0.00 C ATOM 170 CG1 VAL A 12 -10.251 0.736 -2.279 1.00 0.00 C ATOM 171 CG2 VAL A 12 -11.367 2.971 -2.276 1.00 0.00 C ATOM 0 HA VAL A 12 -12.852 0.720 -2.918 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.158 1.673 -0.567 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.285 1.216 -2.123 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.241 -0.255 -1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.442 0.643 -3.348 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.402 3.454 -2.122 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.560 2.877 -3.345 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.151 3.574 -1.818 1.00 0.00 H new ATOM 181 N GLU A 13 -12.447 -1.503 -1.748 1.00 0.00 N ATOM 182 CA GLU A 13 -12.473 -2.820 -1.054 1.00 0.00 C ATOM 183 C GLU A 13 -11.342 -3.704 -1.584 1.00 0.00 C ATOM 184 O GLU A 13 -11.151 -3.841 -2.776 1.00 0.00 O ATOM 185 CB GLU A 13 -13.819 -3.504 -1.305 1.00 0.00 C ATOM 186 CG GLU A 13 -14.052 -3.639 -2.811 1.00 0.00 C ATOM 187 CD GLU A 13 -15.511 -4.016 -3.070 1.00 0.00 C ATOM 188 OE1 GLU A 13 -16.284 -4.001 -2.126 1.00 0.00 O ATOM 189 OE2 GLU A 13 -15.833 -4.314 -4.209 1.00 0.00 O ATOM 0 H GLU A 13 -12.186 -1.535 -2.733 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.338 -2.666 0.017 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.832 -4.487 -0.835 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.623 -2.924 -0.853 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.813 -2.701 -3.312 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.390 -4.399 -3.225 1.00 0.00 H new ATOM 196 N CYS A 14 -10.592 -4.306 -0.703 1.00 0.00 N ATOM 197 CA CYS A 14 -9.472 -5.187 -1.140 1.00 0.00 C ATOM 198 C CYS A 14 -9.933 -6.060 -2.315 1.00 0.00 C ATOM 199 O CYS A 14 -10.712 -6.974 -2.133 1.00 0.00 O ATOM 200 CB CYS A 14 -9.071 -6.086 0.027 1.00 0.00 C ATOM 201 SG CYS A 14 -7.595 -7.041 -0.401 1.00 0.00 S ATOM 0 H CYS A 14 -10.707 -4.225 0.307 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.624 -4.578 -1.454 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.878 -5.481 0.913 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.891 -6.760 0.275 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.768 -6.288 -1.064 1.00 0.00 H new ATOM 206 N PRO A 15 -9.437 -5.753 -3.488 1.00 0.00 N ATOM 207 CA PRO A 15 -9.782 -6.496 -4.714 1.00 0.00 C ATOM 208 C PRO A 15 -8.990 -7.807 -4.795 1.00 0.00 C ATOM 209 O PRO A 15 -8.985 -8.475 -5.810 1.00 0.00 O ATOM 210 CB PRO A 15 -9.367 -5.543 -5.838 1.00 0.00 C ATOM 211 CG PRO A 15 -8.309 -4.589 -5.234 1.00 0.00 C ATOM 212 CD PRO A 15 -8.493 -4.638 -3.706 1.00 0.00 C ATOM 0 HA PRO A 15 -10.834 -6.776 -4.760 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -8.955 -6.095 -6.683 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -10.226 -4.985 -6.211 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.302 -4.900 -5.513 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.444 -3.574 -5.608 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.545 -4.814 -3.197 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.892 -3.699 -3.323 1.00 0.00 H new ATOM 220 N LEU A 16 -8.318 -8.181 -3.739 1.00 0.00 N ATOM 221 CA LEU A 16 -7.529 -9.447 -3.772 1.00 0.00 C ATOM 222 C LEU A 16 -8.176 -10.482 -2.850 1.00 0.00 C ATOM 223 O LEU A 16 -8.000 -11.672 -3.019 1.00 0.00 O ATOM 224 CB LEU A 16 -6.097 -9.173 -3.302 1.00 0.00 C ATOM 225 CG LEU A 16 -5.699 -7.738 -3.660 1.00 0.00 C ATOM 226 CD1 LEU A 16 -4.363 -7.403 -2.996 1.00 0.00 C ATOM 227 CD2 LEU A 16 -5.558 -7.611 -5.179 1.00 0.00 C ATOM 0 H LEU A 16 -8.281 -7.667 -2.859 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.510 -9.831 -4.792 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.023 -9.323 -2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.410 -9.878 -3.770 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.466 -7.048 -3.308 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.077 -6.382 -3.249 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.461 -7.495 -1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.597 -8.093 -3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.275 -6.590 -5.434 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.790 -8.299 -5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.509 -7.853 -5.654 1.00 0.00 H new ATOM 239 N CYS A 17 -8.926 -10.044 -1.875 1.00 0.00 N ATOM 240 CA CYS A 17 -9.582 -11.011 -0.952 1.00 0.00 C ATOM 241 C CYS A 17 -11.062 -10.642 -0.796 1.00 0.00 C ATOM 242 O CYS A 17 -11.809 -11.306 -0.105 1.00 0.00 O ATOM 243 CB CYS A 17 -8.870 -10.986 0.413 1.00 0.00 C ATOM 244 SG CYS A 17 -9.499 -9.630 1.441 1.00 0.00 S ATOM 0 H CYS A 17 -9.112 -9.060 -1.679 1.00 0.00 H new ATOM 0 HA CYS A 17 -9.513 -12.019 -1.362 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -9.021 -11.937 0.925 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.796 -10.870 0.266 1.00 0.00 H new ATOM 0 HG CYS A 17 -9.024 -8.500 1.007 1.00 0.00 H new ATOM 249 N MET A 18 -11.487 -9.586 -1.435 1.00 0.00 N ATOM 250 CA MET A 18 -12.908 -9.167 -1.332 1.00 0.00 C ATOM 251 C MET A 18 -13.219 -8.747 0.106 1.00 0.00 C ATOM 252 O MET A 18 -13.390 -9.571 0.983 1.00 0.00 O ATOM 253 CB MET A 18 -13.817 -10.329 -1.740 1.00 0.00 C ATOM 254 CG MET A 18 -14.168 -10.203 -3.222 1.00 0.00 C ATOM 255 SD MET A 18 -14.276 -11.851 -3.960 1.00 0.00 S ATOM 256 CE MET A 18 -14.432 -11.317 -5.681 1.00 0.00 C ATOM 0 H MET A 18 -10.905 -8.994 -2.027 1.00 0.00 H new ATOM 0 HA MET A 18 -13.084 -8.322 -1.998 1.00 0.00 H new ATOM 0 HB2 MET A 18 -13.317 -11.279 -1.553 1.00 0.00 H new ATOM 0 HB3 MET A 18 -14.726 -10.323 -1.138 1.00 0.00 H new ATOM 0 HG2 MET A 18 -15.116 -9.678 -3.339 1.00 0.00 H new ATOM 0 HG3 MET A 18 -13.411 -9.612 -3.737 1.00 0.00 H new ATOM 0 HE1 MET A 18 -14.514 -12.191 -6.327 1.00 0.00 H new ATOM 0 HE2 MET A 18 -15.323 -10.699 -5.791 1.00 0.00 H new ATOM 0 HE3 MET A 18 -13.553 -10.738 -5.964 1.00 0.00 H new ATOM 266 N GLU A 19 -13.297 -7.468 0.352 1.00 0.00 N ATOM 267 CA GLU A 19 -13.600 -6.986 1.727 1.00 0.00 C ATOM 268 C GLU A 19 -13.632 -5.452 1.725 1.00 0.00 C ATOM 269 O GLU A 19 -12.725 -4.822 1.217 1.00 0.00 O ATOM 270 CB GLU A 19 -12.512 -7.472 2.689 1.00 0.00 C ATOM 271 CG GLU A 19 -13.164 -8.051 3.947 1.00 0.00 C ATOM 272 CD GLU A 19 -12.083 -8.376 4.979 1.00 0.00 C ATOM 273 OE1 GLU A 19 -10.917 -8.233 4.653 1.00 0.00 O ATOM 274 OE2 GLU A 19 -12.440 -8.762 6.080 1.00 0.00 O ATOM 0 H GLU A 19 -13.163 -6.734 -0.344 1.00 0.00 H new ATOM 0 HA GLU A 19 -14.567 -7.374 2.048 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.895 -8.229 2.205 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.852 -6.646 2.956 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.875 -7.337 4.362 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -13.725 -8.951 3.697 1.00 0.00 H new ATOM 281 N PRO A 20 -14.674 -4.894 2.290 1.00 0.00 N ATOM 282 CA PRO A 20 -14.845 -3.432 2.357 1.00 0.00 C ATOM 283 C PRO A 20 -13.973 -2.840 3.468 1.00 0.00 C ATOM 284 O PRO A 20 -14.175 -3.103 4.637 1.00 0.00 O ATOM 285 CB PRO A 20 -16.331 -3.260 2.680 1.00 0.00 C ATOM 286 CG PRO A 20 -16.793 -4.586 3.332 1.00 0.00 C ATOM 287 CD PRO A 20 -15.774 -5.661 2.910 1.00 0.00 C ATOM 0 HA PRO A 20 -14.551 -2.924 1.439 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -16.487 -2.420 3.357 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -16.903 -3.052 1.776 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -16.830 -4.492 4.417 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -17.797 -4.852 3.000 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -15.424 -6.237 3.767 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -16.211 -6.370 2.207 1.00 0.00 H new ATOM 295 N LEU A 21 -13.006 -2.040 3.111 1.00 0.00 N ATOM 296 CA LEU A 21 -12.123 -1.430 4.145 1.00 0.00 C ATOM 297 C LEU A 21 -12.886 -0.330 4.883 1.00 0.00 C ATOM 298 O LEU A 21 -13.966 0.064 4.489 1.00 0.00 O ATOM 299 CB LEU A 21 -10.893 -0.825 3.467 1.00 0.00 C ATOM 300 CG LEU A 21 -10.013 -1.944 2.913 1.00 0.00 C ATOM 301 CD1 LEU A 21 -9.576 -1.591 1.490 1.00 0.00 C ATOM 302 CD2 LEU A 21 -8.778 -2.104 3.801 1.00 0.00 C ATOM 0 H LEU A 21 -12.789 -1.782 2.148 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.811 -2.196 4.855 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.200 -0.157 2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.329 -0.225 4.181 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.575 -2.878 2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.948 -2.389 1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.456 -1.474 0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.012 -0.658 1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.148 -2.902 3.408 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.215 -1.170 3.813 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.089 -2.354 4.815 1.00 0.00 H new ATOM 314 N GLU A 22 -12.332 0.169 5.953 1.00 0.00 N ATOM 315 CA GLU A 22 -13.024 1.244 6.718 1.00 0.00 C ATOM 316 C GLU A 22 -12.662 2.609 6.124 1.00 0.00 C ATOM 317 O GLU A 22 -12.307 2.717 4.967 1.00 0.00 O ATOM 318 CB GLU A 22 -12.587 1.187 8.183 1.00 0.00 C ATOM 319 CG GLU A 22 -13.823 1.050 9.074 1.00 0.00 C ATOM 320 CD GLU A 22 -13.391 0.937 10.535 1.00 0.00 C ATOM 321 OE1 GLU A 22 -12.196 0.873 10.776 1.00 0.00 O ATOM 322 OE2 GLU A 22 -14.260 0.916 11.391 1.00 0.00 O ATOM 0 H GLU A 22 -11.430 -0.121 6.331 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.103 1.099 6.656 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.915 0.344 8.341 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.034 2.089 8.445 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.476 1.913 8.943 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -14.397 0.170 8.785 1.00 0.00 H new ATOM 329 N ILE A 23 -12.758 3.652 6.902 1.00 0.00 N ATOM 330 CA ILE A 23 -12.427 5.007 6.378 1.00 0.00 C ATOM 331 C ILE A 23 -10.911 5.227 6.414 1.00 0.00 C ATOM 332 O ILE A 23 -10.269 5.360 5.392 1.00 0.00 O ATOM 333 CB ILE A 23 -13.118 6.067 7.242 1.00 0.00 C ATOM 334 CG1 ILE A 23 -14.613 6.094 6.917 1.00 0.00 C ATOM 335 CG2 ILE A 23 -12.513 7.444 6.957 1.00 0.00 C ATOM 336 CD1 ILE A 23 -14.824 6.707 5.532 1.00 0.00 C ATOM 0 H ILE A 23 -13.052 3.624 7.878 1.00 0.00 H new ATOM 0 HA ILE A 23 -12.774 5.088 5.348 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.975 5.821 8.294 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -15.020 5.083 6.945 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -15.149 6.674 7.668 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -13.008 8.194 7.574 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.448 7.429 7.189 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -12.651 7.691 5.905 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -15.889 6.726 5.301 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -14.432 7.724 5.521 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -14.301 6.108 4.786 1.00 0.00 H new ATOM 348 N ASP A 24 -10.336 5.283 7.586 1.00 0.00 N ATOM 349 CA ASP A 24 -8.866 5.510 7.685 1.00 0.00 C ATOM 350 C ASP A 24 -8.109 4.234 7.310 1.00 0.00 C ATOM 351 O ASP A 24 -6.895 4.198 7.324 1.00 0.00 O ATOM 352 CB ASP A 24 -8.509 5.907 9.119 1.00 0.00 C ATOM 353 CG ASP A 24 -7.308 6.854 9.102 1.00 0.00 C ATOM 354 OD1 ASP A 24 -6.342 6.542 8.426 1.00 0.00 O ATOM 355 OD2 ASP A 24 -7.374 7.874 9.768 1.00 0.00 O ATOM 0 H ASP A 24 -10.821 5.181 8.478 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.583 6.308 6.998 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.361 6.391 9.596 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.277 5.019 9.707 1.00 0.00 H new ATOM 360 N ASP A 25 -8.811 3.186 6.977 1.00 0.00 N ATOM 361 CA ASP A 25 -8.122 1.918 6.605 1.00 0.00 C ATOM 362 C ASP A 25 -8.029 1.813 5.082 1.00 0.00 C ATOM 363 O ASP A 25 -7.344 0.961 4.549 1.00 0.00 O ATOM 364 CB ASP A 25 -8.914 0.727 7.148 1.00 0.00 C ATOM 365 CG ASP A 25 -9.004 0.822 8.672 1.00 0.00 C ATOM 366 OD1 ASP A 25 -8.033 0.477 9.326 1.00 0.00 O ATOM 367 OD2 ASP A 25 -10.042 1.237 9.159 1.00 0.00 O ATOM 0 H ASP A 25 -9.830 3.153 6.946 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.119 1.914 7.032 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.914 0.715 6.715 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.430 -0.206 6.860 1.00 0.00 H new ATOM 372 N ILE A 26 -8.711 2.671 4.374 1.00 0.00 N ATOM 373 CA ILE A 26 -8.660 2.617 2.886 1.00 0.00 C ATOM 374 C ILE A 26 -7.398 3.330 2.394 1.00 0.00 C ATOM 375 O ILE A 26 -6.547 2.736 1.763 1.00 0.00 O ATOM 376 CB ILE A 26 -9.901 3.301 2.308 1.00 0.00 C ATOM 377 CG1 ILE A 26 -11.118 2.398 2.512 1.00 0.00 C ATOM 378 CG2 ILE A 26 -9.703 3.550 0.812 1.00 0.00 C ATOM 379 CD1 ILE A 26 -12.396 3.234 2.429 1.00 0.00 C ATOM 0 H ILE A 26 -9.301 3.407 4.762 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.637 1.578 2.558 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.058 4.252 2.816 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.134 1.615 1.754 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.058 1.903 3.481 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.589 4.037 0.404 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.834 4.191 0.662 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.545 2.599 0.303 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.263 2.589 2.575 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.380 4.001 3.203 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.457 3.709 1.450 1.00 0.00 H new ATOM 391 N ASN A 27 -7.267 4.597 2.676 1.00 0.00 N ATOM 392 CA ASN A 27 -6.054 5.336 2.222 1.00 0.00 C ATOM 393 C ASN A 27 -4.807 4.537 2.601 1.00 0.00 C ATOM 394 O ASN A 27 -3.758 4.684 2.005 1.00 0.00 O ATOM 395 CB ASN A 27 -6.006 6.708 2.899 1.00 0.00 C ATOM 396 CG ASN A 27 -6.005 6.524 4.417 1.00 0.00 C ATOM 397 OD1 ASN A 27 -5.068 5.989 4.976 1.00 0.00 O ATOM 398 ND2 ASN A 27 -7.022 6.951 5.114 1.00 0.00 N ATOM 0 H ASN A 27 -7.945 5.151 3.199 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.091 5.469 1.141 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.113 7.249 2.586 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -6.865 7.307 2.594 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.030 6.836 6.127 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.809 7.400 4.645 1.00 0.00 H new ATOM 405 N PHE A 28 -4.916 3.693 3.589 1.00 0.00 N ATOM 406 CA PHE A 28 -3.741 2.882 4.013 1.00 0.00 C ATOM 407 C PHE A 28 -3.417 1.845 2.935 1.00 0.00 C ATOM 408 O PHE A 28 -4.165 0.916 2.709 1.00 0.00 O ATOM 409 CB PHE A 28 -4.065 2.162 5.325 1.00 0.00 C ATOM 410 CG PHE A 28 -2.919 1.251 5.698 1.00 0.00 C ATOM 411 CD1 PHE A 28 -2.751 0.027 5.039 1.00 0.00 C ATOM 412 CD2 PHE A 28 -2.022 1.632 6.704 1.00 0.00 C ATOM 413 CE1 PHE A 28 -1.687 -0.816 5.384 1.00 0.00 C ATOM 414 CE2 PHE A 28 -0.958 0.789 7.050 1.00 0.00 C ATOM 415 CZ PHE A 28 -0.790 -0.433 6.390 1.00 0.00 C ATOM 0 H PHE A 28 -5.770 3.530 4.122 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.883 3.538 4.157 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.238 2.890 6.118 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.983 1.584 5.218 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.443 -0.267 4.264 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.151 2.576 7.213 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.558 -1.760 4.875 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.267 1.083 7.827 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.032 -1.082 6.656 1.00 0.00 H new ATOM 425 N PHE A 29 -2.302 1.994 2.274 1.00 0.00 N ATOM 426 CA PHE A 29 -1.923 1.013 1.217 1.00 0.00 C ATOM 427 C PHE A 29 -0.429 0.717 1.322 1.00 0.00 C ATOM 428 O PHE A 29 0.317 1.492 1.887 1.00 0.00 O ATOM 429 CB PHE A 29 -2.216 1.588 -0.175 1.00 0.00 C ATOM 430 CG PHE A 29 -2.139 3.095 -0.135 1.00 0.00 C ATOM 431 CD1 PHE A 29 -0.984 3.731 0.345 1.00 0.00 C ATOM 432 CD2 PHE A 29 -3.229 3.856 -0.570 1.00 0.00 C ATOM 433 CE1 PHE A 29 -0.926 5.130 0.386 1.00 0.00 C ATOM 434 CE2 PHE A 29 -3.169 5.252 -0.529 1.00 0.00 C ATOM 435 CZ PHE A 29 -2.019 5.890 -0.049 1.00 0.00 C ATOM 0 H PHE A 29 -1.636 2.753 2.420 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.503 0.101 1.358 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.499 1.198 -0.898 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.206 1.274 -0.507 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.142 3.144 0.682 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.118 3.365 -0.938 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.038 5.623 0.753 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.010 5.839 -0.868 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.975 6.969 -0.014 1.00 0.00 H new ATOM 445 N PRO A 30 -0.034 -0.390 0.756 1.00 0.00 N ATOM 446 CA PRO A 30 1.373 -0.810 0.747 1.00 0.00 C ATOM 447 C PRO A 30 2.132 -0.010 -0.311 1.00 0.00 C ATOM 448 O PRO A 30 3.317 0.226 -0.198 1.00 0.00 O ATOM 449 CB PRO A 30 1.304 -2.296 0.383 1.00 0.00 C ATOM 450 CG PRO A 30 -0.051 -2.506 -0.333 1.00 0.00 C ATOM 451 CD PRO A 30 -0.952 -1.325 0.073 1.00 0.00 C ATOM 0 HA PRO A 30 1.891 -0.646 1.692 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.134 -2.576 -0.266 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.373 -2.918 1.275 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.083 -2.537 -1.414 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.501 -3.455 -0.040 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.418 -0.862 -0.797 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.757 -1.647 0.733 1.00 0.00 H new ATOM 459 N CYS A 31 1.445 0.421 -1.334 1.00 0.00 N ATOM 460 CA CYS A 31 2.107 1.219 -2.402 1.00 0.00 C ATOM 461 C CYS A 31 1.252 2.451 -2.712 1.00 0.00 C ATOM 462 O CYS A 31 0.045 2.432 -2.565 1.00 0.00 O ATOM 463 CB CYS A 31 2.253 0.366 -3.661 1.00 0.00 C ATOM 464 SG CYS A 31 3.012 1.357 -4.969 1.00 0.00 S ATOM 0 H CYS A 31 0.449 0.253 -1.475 1.00 0.00 H new ATOM 0 HA CYS A 31 3.095 1.535 -2.066 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.866 -0.511 -3.451 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.277 0.003 -3.984 1.00 0.00 H new ATOM 0 HG CYS A 31 2.211 1.412 -5.992 1.00 0.00 H new ATOM 469 N THR A 32 1.864 3.524 -3.131 1.00 0.00 N ATOM 470 CA THR A 32 1.083 4.757 -3.438 1.00 0.00 C ATOM 471 C THR A 32 0.662 4.763 -4.910 1.00 0.00 C ATOM 472 O THR A 32 0.903 5.714 -5.627 1.00 0.00 O ATOM 473 CB THR A 32 1.945 5.987 -3.151 1.00 0.00 C ATOM 474 OG1 THR A 32 1.162 7.161 -3.317 1.00 0.00 O ATOM 475 CG2 THR A 32 3.129 6.019 -4.119 1.00 0.00 C ATOM 0 H THR A 32 2.871 3.601 -3.274 1.00 0.00 H new ATOM 0 HA THR A 32 0.190 4.777 -2.814 1.00 0.00 H new ATOM 0 HB THR A 32 2.317 5.940 -2.128 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.844 7.214 -4.242 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.743 6.896 -3.914 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.729 5.118 -3.990 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.760 6.066 -5.144 1.00 0.00 H new ATOM 483 N CYS A 33 0.024 3.719 -5.367 1.00 0.00 N ATOM 484 CA CYS A 33 -0.415 3.687 -6.791 1.00 0.00 C ATOM 485 C CYS A 33 -1.872 3.224 -6.867 1.00 0.00 C ATOM 486 O CYS A 33 -2.429 3.068 -7.936 1.00 0.00 O ATOM 487 CB CYS A 33 0.478 2.728 -7.588 1.00 0.00 C ATOM 488 SG CYS A 33 0.064 1.013 -7.183 1.00 0.00 S ATOM 0 H CYS A 33 -0.211 2.891 -4.819 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.332 4.687 -7.217 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.347 2.900 -8.656 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.526 2.921 -7.360 1.00 0.00 H new ATOM 0 HG CYS A 33 0.297 0.255 -8.213 1.00 0.00 H new ATOM 493 N GLY A 34 -2.497 3.005 -5.741 1.00 0.00 N ATOM 494 CA GLY A 34 -3.917 2.557 -5.750 1.00 0.00 C ATOM 495 C GLY A 34 -4.002 1.103 -5.282 1.00 0.00 C ATOM 496 O GLY A 34 -4.798 0.767 -4.430 1.00 0.00 O ATOM 0 H GLY A 34 -2.084 3.118 -4.815 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.514 3.195 -5.098 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.332 2.651 -6.754 1.00 0.00 H new ATOM 500 N TYR A 35 -3.185 0.240 -5.828 1.00 0.00 N ATOM 501 CA TYR A 35 -3.220 -1.190 -5.405 1.00 0.00 C ATOM 502 C TYR A 35 -3.132 -1.257 -3.879 1.00 0.00 C ATOM 503 O TYR A 35 -2.060 -1.309 -3.310 1.00 0.00 O ATOM 504 CB TYR A 35 -2.035 -1.933 -6.030 1.00 0.00 C ATOM 505 CG TYR A 35 -1.929 -3.322 -5.444 1.00 0.00 C ATOM 506 CD1 TYR A 35 -2.961 -4.251 -5.639 1.00 0.00 C ATOM 507 CD2 TYR A 35 -0.794 -3.683 -4.708 1.00 0.00 C ATOM 508 CE1 TYR A 35 -2.855 -5.537 -5.097 1.00 0.00 C ATOM 509 CE2 TYR A 35 -0.689 -4.969 -4.168 1.00 0.00 C ATOM 510 CZ TYR A 35 -1.719 -5.897 -4.361 1.00 0.00 C ATOM 511 OH TYR A 35 -1.615 -7.165 -3.828 1.00 0.00 O ATOM 0 H TYR A 35 -2.497 0.464 -6.547 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.147 -1.657 -5.737 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.163 -1.994 -7.111 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.113 -1.381 -5.849 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.837 -3.974 -6.207 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.001 -2.968 -4.557 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.650 -6.253 -5.246 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.188 -5.246 -3.602 1.00 0.00 H new ATOM 0 HH TYR A 35 -0.765 -7.249 -3.348 1.00 0.00 H new ATOM 521 N GLN A 36 -4.254 -1.238 -3.215 1.00 0.00 N ATOM 522 CA GLN A 36 -4.243 -1.279 -1.727 1.00 0.00 C ATOM 523 C GLN A 36 -4.715 -2.652 -1.246 1.00 0.00 C ATOM 524 O GLN A 36 -5.543 -3.288 -1.867 1.00 0.00 O ATOM 525 CB GLN A 36 -5.182 -0.196 -1.193 1.00 0.00 C ATOM 526 CG GLN A 36 -5.130 -0.169 0.336 1.00 0.00 C ATOM 527 CD GLN A 36 -6.538 0.069 0.886 1.00 0.00 C ATOM 528 OE1 GLN A 36 -6.939 -0.548 1.851 1.00 0.00 O ATOM 529 NE2 GLN A 36 -7.308 0.949 0.306 1.00 0.00 N ATOM 0 H GLN A 36 -5.180 -1.196 -3.640 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.231 -1.103 -1.361 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.894 0.776 -1.593 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.201 -0.389 -1.528 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.734 -1.111 0.714 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -4.457 0.619 0.675 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.970 1.467 -0.505 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.248 1.119 0.664 1.00 0.00 H new ATOM 538 N ILE A 37 -4.194 -3.111 -0.142 1.00 0.00 N ATOM 539 CA ILE A 37 -4.610 -4.442 0.382 1.00 0.00 C ATOM 540 C ILE A 37 -4.991 -4.312 1.860 1.00 0.00 C ATOM 541 O ILE A 37 -4.476 -3.474 2.573 1.00 0.00 O ATOM 542 CB ILE A 37 -3.453 -5.431 0.239 1.00 0.00 C ATOM 543 CG1 ILE A 37 -2.283 -4.971 1.116 1.00 0.00 C ATOM 544 CG2 ILE A 37 -3.007 -5.485 -1.225 1.00 0.00 C ATOM 545 CD1 ILE A 37 -1.012 -5.726 0.719 1.00 0.00 C ATOM 0 H ILE A 37 -3.498 -2.622 0.420 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.468 -4.803 -0.184 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.777 -6.423 0.555 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.131 -3.898 1.002 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.511 -5.151 2.167 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.182 -6.190 -1.328 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.841 -5.809 -1.848 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.680 -4.495 -1.543 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.183 -5.396 1.345 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.167 -6.796 0.856 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.780 -5.524 -0.327 1.00 0.00 H new ATOM 557 N CYS A 38 -5.891 -5.136 2.323 1.00 0.00 N ATOM 558 CA CYS A 38 -6.307 -5.066 3.754 1.00 0.00 C ATOM 559 C CYS A 38 -5.075 -4.889 4.639 1.00 0.00 C ATOM 560 O CYS A 38 -3.986 -5.289 4.282 1.00 0.00 O ATOM 561 CB CYS A 38 -7.009 -6.369 4.143 1.00 0.00 C ATOM 562 SG CYS A 38 -8.468 -6.605 3.108 1.00 0.00 S ATOM 0 H CYS A 38 -6.357 -5.856 1.771 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.983 -4.222 3.889 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.327 -7.211 4.024 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.297 -6.339 5.194 1.00 0.00 H new ATOM 0 HG CYS A 38 -8.537 -7.848 2.733 1.00 0.00 H new ATOM 567 N ARG A 39 -5.235 -4.313 5.798 1.00 0.00 N ATOM 568 CA ARG A 39 -4.063 -4.146 6.698 1.00 0.00 C ATOM 569 C ARG A 39 -3.475 -5.531 6.962 1.00 0.00 C ATOM 570 O ARG A 39 -2.281 -5.699 7.114 1.00 0.00 O ATOM 571 CB ARG A 39 -4.506 -3.513 8.017 1.00 0.00 C ATOM 572 CG ARG A 39 -3.388 -2.619 8.555 1.00 0.00 C ATOM 573 CD ARG A 39 -3.937 -1.217 8.825 1.00 0.00 C ATOM 574 NE ARG A 39 -3.062 -0.521 9.809 1.00 0.00 N ATOM 575 CZ ARG A 39 -3.516 0.503 10.477 1.00 0.00 C ATOM 576 NH1 ARG A 39 -4.715 0.468 10.992 1.00 0.00 N ATOM 577 NH2 ARG A 39 -2.770 1.562 10.634 1.00 0.00 N ATOM 0 H ARG A 39 -6.119 -3.954 6.158 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.319 -3.497 6.236 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.413 -2.928 7.865 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.746 -4.290 8.743 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.979 -3.043 9.472 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.571 -2.568 7.835 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.982 -0.648 7.897 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.955 -1.281 9.209 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.107 -0.845 9.961 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.298 -0.361 10.872 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.069 1.269 11.514 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.832 1.589 10.234 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.125 2.363 11.156 1.00 0.00 H new ATOM 591 N PHE A 40 -4.317 -6.528 6.999 1.00 0.00 N ATOM 592 CA PHE A 40 -3.834 -7.916 7.230 1.00 0.00 C ATOM 593 C PHE A 40 -3.310 -8.476 5.909 1.00 0.00 C ATOM 594 O PHE A 40 -2.315 -9.174 5.866 1.00 0.00 O ATOM 595 CB PHE A 40 -4.998 -8.779 7.723 1.00 0.00 C ATOM 596 CG PHE A 40 -4.466 -10.044 8.349 1.00 0.00 C ATOM 597 CD1 PHE A 40 -3.754 -10.966 7.572 1.00 0.00 C ATOM 598 CD2 PHE A 40 -4.688 -10.296 9.708 1.00 0.00 C ATOM 599 CE1 PHE A 40 -3.264 -12.140 8.156 1.00 0.00 C ATOM 600 CE2 PHE A 40 -4.198 -11.469 10.292 1.00 0.00 C ATOM 601 CZ PHE A 40 -3.486 -12.392 9.515 1.00 0.00 C ATOM 0 H PHE A 40 -5.326 -6.438 6.878 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.040 -7.919 7.977 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -5.592 -8.224 8.450 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -5.659 -9.024 6.892 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.583 -10.772 6.523 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -5.238 -9.584 10.306 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -2.714 -12.852 7.558 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -4.368 -11.663 11.341 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.108 -13.298 9.965 1.00 0.00 H new ATOM 611 N CYS A 41 -3.972 -8.166 4.829 1.00 0.00 N ATOM 612 CA CYS A 41 -3.515 -8.664 3.504 1.00 0.00 C ATOM 613 C CYS A 41 -2.088 -8.168 3.259 1.00 0.00 C ATOM 614 O CYS A 41 -1.310 -8.785 2.556 1.00 0.00 O ATOM 615 CB CYS A 41 -4.457 -8.137 2.411 1.00 0.00 C ATOM 616 SG CYS A 41 -5.808 -9.321 2.166 1.00 0.00 S ATOM 0 H CYS A 41 -4.812 -7.588 4.808 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.528 -9.754 3.483 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -4.857 -7.164 2.697 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -3.909 -7.995 1.480 1.00 0.00 H new ATOM 0 HG CYS A 41 -6.654 -8.841 1.304 1.00 0.00 H new ATOM 621 N TRP A 42 -1.735 -7.061 3.858 1.00 0.00 N ATOM 622 CA TRP A 42 -0.359 -6.523 3.687 1.00 0.00 C ATOM 623 C TRP A 42 0.555 -7.174 4.725 1.00 0.00 C ATOM 624 O TRP A 42 1.724 -7.393 4.488 1.00 0.00 O ATOM 625 CB TRP A 42 -0.374 -5.004 3.889 1.00 0.00 C ATOM 626 CG TRP A 42 1.026 -4.499 4.045 1.00 0.00 C ATOM 627 CD1 TRP A 42 1.941 -4.423 3.051 1.00 0.00 C ATOM 628 CD2 TRP A 42 1.684 -3.998 5.246 1.00 0.00 C ATOM 629 NE1 TRP A 42 3.117 -3.906 3.565 1.00 0.00 N ATOM 630 CE2 TRP A 42 3.009 -3.629 4.913 1.00 0.00 C ATOM 631 CE3 TRP A 42 1.265 -3.829 6.579 1.00 0.00 C ATOM 632 CZ2 TRP A 42 3.886 -3.109 5.867 1.00 0.00 C ATOM 633 CZ3 TRP A 42 2.146 -3.307 7.541 1.00 0.00 C ATOM 634 CH2 TRP A 42 3.453 -2.948 7.185 1.00 0.00 C ATOM 0 H TRP A 42 -2.344 -6.507 4.460 1.00 0.00 H new ATOM 0 HA TRP A 42 0.006 -6.744 2.684 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.852 -4.520 3.038 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.962 -4.751 4.771 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.780 -4.718 2.025 1.00 0.00 H new ATOM 0 HE1 TRP A 42 3.961 -3.749 3.015 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.260 -4.102 6.864 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.892 -2.833 5.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.814 -3.182 8.561 1.00 0.00 H new ATOM 0 HH2 TRP A 42 4.125 -2.547 7.929 1.00 0.00 H new ATOM 645 N HIS A 43 0.023 -7.495 5.874 1.00 0.00 N ATOM 646 CA HIS A 43 0.857 -8.143 6.921 1.00 0.00 C ATOM 647 C HIS A 43 1.454 -9.427 6.343 1.00 0.00 C ATOM 648 O HIS A 43 2.453 -9.931 6.815 1.00 0.00 O ATOM 649 CB HIS A 43 -0.018 -8.485 8.131 1.00 0.00 C ATOM 650 CG HIS A 43 0.099 -7.397 9.163 1.00 0.00 C ATOM 651 ND1 HIS A 43 1.212 -7.268 9.981 1.00 0.00 N ATOM 652 CD2 HIS A 43 -0.750 -6.379 9.522 1.00 0.00 C ATOM 653 CE1 HIS A 43 1.003 -6.208 10.783 1.00 0.00 C ATOM 654 NE2 HIS A 43 -0.177 -5.630 10.546 1.00 0.00 N ATOM 0 H HIS A 43 -0.951 -7.336 6.130 1.00 0.00 H new ATOM 0 HA HIS A 43 1.654 -7.469 7.235 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.057 -8.596 7.821 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.291 -9.439 8.558 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -1.716 -6.188 9.077 1.00 0.00 H new ATOM 0 HE1 HIS A 43 1.705 -5.866 11.529 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -0.573 -4.815 11.014 1.00 0.00 H new ATOM 662 N ARG A 44 0.844 -9.953 5.316 1.00 0.00 N ATOM 663 CA ARG A 44 1.366 -11.200 4.692 1.00 0.00 C ATOM 664 C ARG A 44 2.375 -10.836 3.601 1.00 0.00 C ATOM 665 O ARG A 44 3.503 -11.287 3.610 1.00 0.00 O ATOM 666 CB ARG A 44 0.204 -11.984 4.073 1.00 0.00 C ATOM 667 CG ARG A 44 0.299 -13.454 4.487 1.00 0.00 C ATOM 668 CD ARG A 44 -0.666 -14.286 3.640 1.00 0.00 C ATOM 669 NE ARG A 44 -0.677 -15.692 4.132 1.00 0.00 N ATOM 670 CZ ARG A 44 0.419 -16.401 4.109 1.00 0.00 C ATOM 671 NH1 ARG A 44 1.193 -16.373 3.058 1.00 0.00 N ATOM 672 NH2 ARG A 44 0.740 -17.139 5.136 1.00 0.00 N ATOM 0 H ARG A 44 0.004 -9.571 4.882 1.00 0.00 H new ATOM 0 HA ARG A 44 1.854 -11.812 5.450 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.747 -11.564 4.401 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.232 -11.899 2.987 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.319 -13.815 4.355 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.057 -13.561 5.544 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.669 -13.864 3.693 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.364 -14.259 2.593 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.541 -16.101 4.487 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.941 -15.797 2.255 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.049 -16.927 3.040 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.135 -17.162 5.957 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.596 -17.693 5.118 1.00 0.00 H new ATOM 686 N ILE A 45 1.980 -10.020 2.659 1.00 0.00 N ATOM 687 CA ILE A 45 2.920 -9.628 1.571 1.00 0.00 C ATOM 688 C ILE A 45 4.241 -9.149 2.181 1.00 0.00 C ATOM 689 O ILE A 45 5.290 -9.261 1.578 1.00 0.00 O ATOM 690 CB ILE A 45 2.304 -8.501 0.740 1.00 0.00 C ATOM 691 CG1 ILE A 45 1.169 -9.064 -0.120 1.00 0.00 C ATOM 692 CG2 ILE A 45 3.373 -7.893 -0.170 1.00 0.00 C ATOM 693 CD1 ILE A 45 0.436 -7.914 -0.813 1.00 0.00 C ATOM 0 H ILE A 45 1.048 -9.609 2.597 1.00 0.00 H new ATOM 0 HA ILE A 45 3.107 -10.490 0.930 1.00 0.00 H new ATOM 0 HB ILE A 45 1.912 -7.733 1.407 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.569 -9.754 -0.863 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.475 -9.631 0.501 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.933 -7.090 -0.762 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.184 -7.493 0.438 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.764 -8.662 -0.836 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.372 -8.314 -1.425 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.023 -7.241 -0.062 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.134 -7.367 -1.446 1.00 0.00 H new ATOM 705 N ARG A 46 4.199 -8.616 3.372 1.00 0.00 N ATOM 706 CA ARG A 46 5.454 -8.132 4.014 1.00 0.00 C ATOM 707 C ARG A 46 6.179 -9.316 4.656 1.00 0.00 C ATOM 708 O ARG A 46 7.378 -9.470 4.521 1.00 0.00 O ATOM 709 CB ARG A 46 5.112 -7.094 5.086 1.00 0.00 C ATOM 710 CG ARG A 46 6.399 -6.440 5.592 1.00 0.00 C ATOM 711 CD ARG A 46 6.698 -5.192 4.758 1.00 0.00 C ATOM 712 NE ARG A 46 8.137 -4.836 4.901 1.00 0.00 N ATOM 713 CZ ARG A 46 8.679 -3.957 4.102 1.00 0.00 C ATOM 714 NH1 ARG A 46 7.966 -3.404 3.156 1.00 0.00 N ATOM 715 NH2 ARG A 46 9.933 -3.631 4.246 1.00 0.00 N ATOM 0 H ARG A 46 3.352 -8.495 3.927 1.00 0.00 H new ATOM 0 HA ARG A 46 6.098 -7.674 3.263 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.444 -6.337 4.674 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.584 -7.570 5.912 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.294 -6.172 6.643 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.229 -7.144 5.524 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.460 -5.375 3.710 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.072 -4.362 5.087 1.00 0.00 H new ATOM 0 HE ARG A 46 8.701 -5.280 5.625 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.985 -3.659 3.041 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.391 -2.717 2.533 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.491 -4.063 4.983 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.356 -2.944 3.622 1.00 0.00 H new ATOM 729 N THR A 47 5.461 -10.159 5.349 1.00 0.00 N ATOM 730 CA THR A 47 6.109 -11.337 5.992 1.00 0.00 C ATOM 731 C THR A 47 6.015 -12.540 5.051 1.00 0.00 C ATOM 732 O THR A 47 5.996 -13.677 5.481 1.00 0.00 O ATOM 733 CB THR A 47 5.394 -11.660 7.308 1.00 0.00 C ATOM 734 OG1 THR A 47 5.166 -10.458 8.029 1.00 0.00 O ATOM 735 CG2 THR A 47 6.262 -12.604 8.143 1.00 0.00 C ATOM 0 H THR A 47 4.455 -10.082 5.497 1.00 0.00 H new ATOM 0 HA THR A 47 7.156 -11.112 6.196 1.00 0.00 H new ATOM 0 HB THR A 47 4.439 -12.141 7.095 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.294 -10.087 7.779 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.753 -12.834 9.079 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.434 -13.526 7.588 1.00 0.00 H new ATOM 0 HG23 THR A 47 7.218 -12.126 8.357 1.00 0.00 H new ATOM 743 N ASP A 48 5.955 -12.298 3.770 1.00 0.00 N ATOM 744 CA ASP A 48 5.860 -13.426 2.801 1.00 0.00 C ATOM 745 C ASP A 48 6.366 -12.964 1.432 1.00 0.00 C ATOM 746 O ASP A 48 7.244 -13.567 0.848 1.00 0.00 O ATOM 747 CB ASP A 48 4.402 -13.875 2.680 1.00 0.00 C ATOM 748 CG ASP A 48 4.283 -14.935 1.585 1.00 0.00 C ATOM 749 OD1 ASP A 48 5.299 -15.266 0.995 1.00 0.00 O ATOM 750 OD2 ASP A 48 3.179 -15.398 1.353 1.00 0.00 O ATOM 0 H ASP A 48 5.968 -11.367 3.353 1.00 0.00 H new ATOM 0 HA ASP A 48 6.468 -14.259 3.153 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.055 -14.279 3.631 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.766 -13.022 2.445 1.00 0.00 H new ATOM 755 N GLU A 49 5.820 -11.896 0.913 1.00 0.00 N ATOM 756 CA GLU A 49 6.272 -11.398 -0.416 1.00 0.00 C ATOM 757 C GLU A 49 7.605 -10.664 -0.257 1.00 0.00 C ATOM 758 O GLU A 49 8.410 -10.999 0.590 1.00 0.00 O ATOM 759 CB GLU A 49 5.223 -10.438 -0.984 1.00 0.00 C ATOM 760 CG GLU A 49 5.127 -10.620 -2.502 1.00 0.00 C ATOM 761 CD GLU A 49 4.076 -11.685 -2.824 1.00 0.00 C ATOM 762 OE1 GLU A 49 3.496 -12.217 -1.891 1.00 0.00 O ATOM 763 OE2 GLU A 49 3.870 -11.952 -3.996 1.00 0.00 O ATOM 0 H GLU A 49 5.081 -11.348 1.353 1.00 0.00 H new ATOM 0 HA GLU A 49 6.400 -12.239 -1.097 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.254 -10.628 -0.523 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.492 -9.408 -0.747 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.860 -9.675 -2.976 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.095 -10.916 -2.905 1.00 0.00 H new ATOM 770 N ASN A 50 7.846 -9.667 -1.063 1.00 0.00 N ATOM 771 CA ASN A 50 9.128 -8.915 -0.958 1.00 0.00 C ATOM 772 C ASN A 50 8.842 -7.475 -0.528 1.00 0.00 C ATOM 773 O ASN A 50 9.721 -6.638 -0.510 1.00 0.00 O ATOM 774 CB ASN A 50 9.829 -8.909 -2.318 1.00 0.00 C ATOM 775 CG ASN A 50 9.607 -10.253 -3.014 1.00 0.00 C ATOM 776 OD1 ASN A 50 9.473 -11.270 -2.365 1.00 0.00 O ATOM 777 ND2 ASN A 50 9.563 -10.298 -4.317 1.00 0.00 N ATOM 0 H ASN A 50 7.210 -9.340 -1.790 1.00 0.00 H new ATOM 0 HA ASN A 50 9.770 -9.395 -0.219 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.440 -8.099 -2.936 1.00 0.00 H new ATOM 0 HB3 ASN A 50 10.896 -8.727 -2.188 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.416 -11.189 -4.792 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.676 -9.443 -4.861 1.00 0.00 H new ATOM 784 N GLY A 51 7.619 -7.178 -0.182 1.00 0.00 N ATOM 785 CA GLY A 51 7.282 -5.792 0.245 1.00 0.00 C ATOM 786 C GLY A 51 7.162 -4.890 -0.986 1.00 0.00 C ATOM 787 O GLY A 51 6.870 -3.715 -0.879 1.00 0.00 O ATOM 0 H GLY A 51 6.839 -7.836 -0.177 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.345 -5.790 0.802 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.052 -5.410 0.915 1.00 0.00 H new ATOM 791 N LEU A 52 7.387 -5.429 -2.154 1.00 0.00 N ATOM 792 CA LEU A 52 7.288 -4.600 -3.388 1.00 0.00 C ATOM 793 C LEU A 52 5.846 -4.596 -3.897 1.00 0.00 C ATOM 794 O LEU A 52 5.025 -5.391 -3.487 1.00 0.00 O ATOM 795 CB LEU A 52 8.194 -5.185 -4.471 1.00 0.00 C ATOM 796 CG LEU A 52 9.600 -4.605 -4.333 1.00 0.00 C ATOM 797 CD1 LEU A 52 10.473 -5.115 -5.481 1.00 0.00 C ATOM 798 CD2 LEU A 52 9.531 -3.077 -4.389 1.00 0.00 C ATOM 0 H LEU A 52 7.635 -6.407 -2.306 1.00 0.00 H new ATOM 0 HA LEU A 52 7.597 -3.581 -3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.228 -6.271 -4.383 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.791 -4.957 -5.458 1.00 0.00 H new ATOM 0 HG LEU A 52 10.029 -4.915 -3.380 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.477 -4.703 -5.385 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.523 -6.203 -5.445 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.042 -4.803 -6.432 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.535 -2.664 -4.290 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.103 -2.767 -5.342 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.906 -2.711 -3.574 1.00 0.00 H new ATOM 810 N CYS A 53 5.543 -3.703 -4.797 1.00 0.00 N ATOM 811 CA CYS A 53 4.162 -3.631 -5.356 1.00 0.00 C ATOM 812 C CYS A 53 4.038 -4.617 -6.526 1.00 0.00 C ATOM 813 O CYS A 53 4.738 -4.489 -7.509 1.00 0.00 O ATOM 814 CB CYS A 53 3.899 -2.211 -5.867 1.00 0.00 C ATOM 815 SG CYS A 53 2.151 -2.023 -6.294 1.00 0.00 S ATOM 0 H CYS A 53 6.196 -3.015 -5.172 1.00 0.00 H new ATOM 0 HA CYS A 53 3.438 -3.885 -4.581 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.176 -1.484 -5.104 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.519 -2.009 -6.740 1.00 0.00 H new ATOM 0 HG CYS A 53 1.817 -0.769 -6.214 1.00 0.00 H new ATOM 820 N PRO A 54 3.153 -5.573 -6.390 1.00 0.00 N ATOM 821 CA PRO A 54 2.921 -6.588 -7.432 1.00 0.00 C ATOM 822 C PRO A 54 2.037 -6.016 -8.546 1.00 0.00 C ATOM 823 O PRO A 54 1.602 -6.726 -9.431 1.00 0.00 O ATOM 824 CB PRO A 54 2.191 -7.707 -6.686 1.00 0.00 C ATOM 825 CG PRO A 54 1.546 -7.050 -5.442 1.00 0.00 C ATOM 826 CD PRO A 54 2.308 -5.737 -5.191 1.00 0.00 C ATOM 0 HA PRO A 54 3.839 -6.927 -7.912 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.433 -8.167 -7.320 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.884 -8.496 -6.394 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.487 -6.856 -5.612 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.615 -7.709 -4.577 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.624 -4.897 -5.068 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.910 -5.793 -4.284 1.00 0.00 H new ATOM 834 N ALA A 55 1.762 -4.740 -8.505 1.00 0.00 N ATOM 835 CA ALA A 55 0.900 -4.133 -9.556 1.00 0.00 C ATOM 836 C ALA A 55 1.692 -3.077 -10.334 1.00 0.00 C ATOM 837 O ALA A 55 1.525 -2.924 -11.528 1.00 0.00 O ATOM 838 CB ALA A 55 -0.316 -3.477 -8.898 1.00 0.00 C ATOM 0 H ALA A 55 2.097 -4.094 -7.790 1.00 0.00 H new ATOM 0 HA ALA A 55 0.570 -4.911 -10.244 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.949 -3.032 -9.666 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.884 -4.230 -8.351 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.018 -2.702 -8.208 1.00 0.00 H new ATOM 844 N CYS A 56 2.550 -2.346 -9.676 1.00 0.00 N ATOM 845 CA CYS A 56 3.337 -1.303 -10.397 1.00 0.00 C ATOM 846 C CYS A 56 4.821 -1.418 -10.021 1.00 0.00 C ATOM 847 O CYS A 56 5.624 -0.566 -10.350 1.00 0.00 O ATOM 848 CB CYS A 56 2.785 0.089 -10.035 1.00 0.00 C ATOM 849 SG CYS A 56 3.587 0.738 -8.540 1.00 0.00 S ATOM 0 H CYS A 56 2.740 -2.424 -8.677 1.00 0.00 H new ATOM 0 HA CYS A 56 3.246 -1.448 -11.474 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.946 0.776 -10.866 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.708 0.027 -9.877 1.00 0.00 H new ATOM 0 HG CYS A 56 3.303 -0.027 -7.528 1.00 0.00 H new ATOM 854 N ARG A 57 5.189 -2.462 -9.331 1.00 0.00 N ATOM 855 CA ARG A 57 6.616 -2.630 -8.931 1.00 0.00 C ATOM 856 C ARG A 57 7.106 -1.362 -8.225 1.00 0.00 C ATOM 857 O ARG A 57 7.747 -0.514 -8.815 1.00 0.00 O ATOM 858 CB ARG A 57 7.471 -2.895 -10.172 1.00 0.00 C ATOM 859 CG ARG A 57 7.864 -4.374 -10.207 1.00 0.00 C ATOM 860 CD ARG A 57 8.559 -4.687 -11.533 1.00 0.00 C ATOM 861 NE ARG A 57 7.548 -5.157 -12.521 1.00 0.00 N ATOM 862 CZ ARG A 57 6.985 -6.324 -12.373 1.00 0.00 C ATOM 863 NH1 ARG A 57 5.703 -6.403 -12.141 1.00 0.00 N ATOM 864 NH2 ARG A 57 7.702 -7.411 -12.458 1.00 0.00 N ATOM 0 H ARG A 57 4.563 -3.207 -9.026 1.00 0.00 H new ATOM 0 HA ARG A 57 6.702 -3.476 -8.249 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.917 -2.632 -11.073 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.364 -2.270 -10.153 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.527 -4.605 -9.373 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.979 -4.999 -10.092 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.066 -3.799 -11.909 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.322 -5.451 -11.385 1.00 0.00 H new ATOM 0 HE ARG A 57 7.296 -4.566 -13.313 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.143 -5.553 -12.076 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.261 -7.315 -12.025 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.704 -7.348 -12.640 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.261 -8.323 -12.342 1.00 0.00 H new ATOM 878 N LYS A 58 6.811 -1.238 -6.961 1.00 0.00 N ATOM 879 CA LYS A 58 7.251 -0.043 -6.188 1.00 0.00 C ATOM 880 C LYS A 58 7.494 -0.465 -4.737 1.00 0.00 C ATOM 881 O LYS A 58 6.774 -1.288 -4.209 1.00 0.00 O ATOM 882 CB LYS A 58 6.159 1.028 -6.230 1.00 0.00 C ATOM 883 CG LYS A 58 6.658 2.239 -7.020 1.00 0.00 C ATOM 884 CD LYS A 58 5.958 3.503 -6.516 1.00 0.00 C ATOM 885 CE LYS A 58 5.791 4.491 -7.673 1.00 0.00 C ATOM 886 NZ LYS A 58 7.026 5.315 -7.806 1.00 0.00 N ATOM 0 H LYS A 58 6.277 -1.922 -6.424 1.00 0.00 H new ATOM 0 HA LYS A 58 8.165 0.363 -6.620 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.258 0.625 -6.693 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.890 1.328 -5.217 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.738 2.340 -6.908 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.459 2.100 -8.083 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.984 3.250 -6.097 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.540 3.959 -5.716 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.599 3.952 -8.601 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.929 5.134 -7.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.912 5.986 -8.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.190 5.840 -6.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.839 4.694 -7.995 1.00 0.00 H new ATOM 900 N PRO A 59 8.504 0.098 -4.135 1.00 0.00 N ATOM 901 CA PRO A 59 8.865 -0.223 -2.747 1.00 0.00 C ATOM 902 C PRO A 59 7.905 0.455 -1.764 1.00 0.00 C ATOM 903 O PRO A 59 7.943 1.652 -1.569 1.00 0.00 O ATOM 904 CB PRO A 59 10.285 0.337 -2.607 1.00 0.00 C ATOM 905 CG PRO A 59 10.433 1.420 -3.701 1.00 0.00 C ATOM 906 CD PRO A 59 9.374 1.106 -4.774 1.00 0.00 C ATOM 0 HA PRO A 59 8.809 -1.289 -2.527 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.439 0.762 -1.615 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.028 -0.450 -2.736 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.280 2.416 -3.284 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.435 1.404 -4.129 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.813 1.998 -5.054 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.831 0.719 -5.684 1.00 0.00 H new ATOM 914 N TYR A 60 7.048 -0.312 -1.141 1.00 0.00 N ATOM 915 CA TYR A 60 6.088 0.276 -0.163 1.00 0.00 C ATOM 916 C TYR A 60 6.823 1.299 0.711 1.00 0.00 C ATOM 917 O TYR A 60 8.035 1.278 0.790 1.00 0.00 O ATOM 918 CB TYR A 60 5.525 -0.843 0.720 1.00 0.00 C ATOM 919 CG TYR A 60 4.856 -1.896 -0.140 1.00 0.00 C ATOM 920 CD1 TYR A 60 4.536 -1.625 -1.477 1.00 0.00 C ATOM 921 CD2 TYR A 60 4.554 -3.148 0.409 1.00 0.00 C ATOM 922 CE1 TYR A 60 3.914 -2.604 -2.262 1.00 0.00 C ATOM 923 CE2 TYR A 60 3.934 -4.126 -0.375 1.00 0.00 C ATOM 924 CZ TYR A 60 3.613 -3.854 -1.710 1.00 0.00 C ATOM 925 OH TYR A 60 2.999 -4.820 -2.481 1.00 0.00 O ATOM 0 H TYR A 60 6.972 -1.321 -1.268 1.00 0.00 H new ATOM 0 HA TYR A 60 5.273 0.769 -0.692 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.327 -1.295 1.304 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.807 -0.431 1.429 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.769 -0.660 -1.903 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.800 -3.359 1.439 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.667 -2.394 -3.292 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.703 -5.092 0.050 1.00 0.00 H new ATOM 0 HH TYR A 60 3.595 -5.592 -2.574 1.00 0.00 H new ATOM 935 N PRO A 61 6.070 2.166 1.342 1.00 0.00 N ATOM 936 CA PRO A 61 6.638 3.209 2.217 1.00 0.00 C ATOM 937 C PRO A 61 7.081 2.603 3.555 1.00 0.00 C ATOM 938 O PRO A 61 8.185 2.115 3.689 1.00 0.00 O ATOM 939 CB PRO A 61 5.477 4.190 2.406 1.00 0.00 C ATOM 940 CG PRO A 61 4.183 3.392 2.120 1.00 0.00 C ATOM 941 CD PRO A 61 4.592 2.190 1.249 1.00 0.00 C ATOM 0 HA PRO A 61 7.524 3.688 1.800 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.469 4.593 3.419 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.569 5.037 1.727 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.720 3.058 3.049 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.451 4.013 1.604 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.154 1.263 1.618 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.259 2.312 0.218 1.00 0.00 H new