USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=13 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 -176:sc= -0.184 USER MOD Set 1.2: A 32 THR OG1 : rot 180:sc= 0.0537 USER MOD Set 1.3: A 33 CYS SG : rot -85:sc= -1.2 USER MOD Set 1.4: A 53 CYS SG : rot -170:sc= 0.104 USER MOD Set 1.5: A 56 CYS SG : rot 166:sc= -4.37! USER MOD Set 2.1: A 14 CYS SG : rot 164:sc= -0.603! USER MOD Set 2.2: A 17 CYS SG : rot -60:sc= 0.714 USER MOD Set 2.3: A 38 CYS SG : rot -137:sc= 0.852 USER MOD Set 2.4: A 41 CYS SG : rot 152:sc= -2.62! USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.202 X(o=-0.2,f=-0.22) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -10.9! C(o=-11!,f=-12!) USER MOD Single : A 43 HIS : no HE2:sc= -4.7! C(o=-4.7!,f=-10!) USER MOD Single : A 47 THR OG1 : rot 125:sc= 1.26 USER MOD Single : A 50 ASN : amide:sc= -0.383 K(o=-0.38,f=-3.7!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 36:sc= -4.29! USER MOD ----------------------------------------------------------------- ATOM 165 N VAL A 12 -14.399 0.922 -0.865 1.00 0.00 N ATOM 166 CA VAL A 12 -13.539 0.168 -1.819 1.00 0.00 C ATOM 167 C VAL A 12 -13.311 -1.243 -1.273 1.00 0.00 C ATOM 168 O VAL A 12 -13.548 -1.511 -0.112 1.00 0.00 O ATOM 169 CB VAL A 12 -12.195 0.883 -1.972 1.00 0.00 C ATOM 170 CG1 VAL A 12 -11.463 0.343 -3.203 1.00 0.00 C ATOM 171 CG2 VAL A 12 -12.434 2.385 -2.144 1.00 0.00 C ATOM 0 HA VAL A 12 -14.027 0.112 -2.792 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.589 0.707 -1.083 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.506 0.854 -3.310 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.292 -0.727 -3.084 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -12.069 0.517 -4.092 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.477 2.896 -2.253 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.041 2.557 -3.033 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.955 2.773 -1.269 1.00 0.00 H new ATOM 181 N GLU A 13 -12.858 -2.150 -2.094 1.00 0.00 N ATOM 182 CA GLU A 13 -12.626 -3.541 -1.606 1.00 0.00 C ATOM 183 C GLU A 13 -11.174 -3.949 -1.869 1.00 0.00 C ATOM 184 O GLU A 13 -10.580 -3.568 -2.857 1.00 0.00 O ATOM 185 CB GLU A 13 -13.565 -4.502 -2.340 1.00 0.00 C ATOM 186 CG GLU A 13 -14.825 -4.724 -1.502 1.00 0.00 C ATOM 187 CD GLU A 13 -16.063 -4.526 -2.378 1.00 0.00 C ATOM 188 OE1 GLU A 13 -16.302 -3.401 -2.785 1.00 0.00 O ATOM 189 OE2 GLU A 13 -16.752 -5.502 -2.626 1.00 0.00 O ATOM 0 H GLU A 13 -12.639 -1.991 -3.077 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.823 -3.583 -0.535 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.831 -4.093 -3.315 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.062 -5.452 -2.519 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.822 -5.729 -1.081 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.844 -4.027 -0.664 1.00 0.00 H new ATOM 196 N CYS A 14 -10.604 -4.728 -0.990 1.00 0.00 N ATOM 197 CA CYS A 14 -9.195 -5.171 -1.183 1.00 0.00 C ATOM 198 C CYS A 14 -9.114 -6.058 -2.435 1.00 0.00 C ATOM 199 O CYS A 14 -9.723 -7.107 -2.480 1.00 0.00 O ATOM 200 CB CYS A 14 -8.755 -5.977 0.047 1.00 0.00 C ATOM 201 SG CYS A 14 -7.056 -6.558 -0.178 1.00 0.00 S ATOM 0 H CYS A 14 -11.055 -5.077 -0.145 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.543 -4.306 -1.308 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.822 -5.358 0.942 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.423 -6.826 0.195 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.568 -6.927 0.969 1.00 0.00 H new ATOM 206 N PRO A 15 -8.368 -5.615 -3.419 1.00 0.00 N ATOM 207 CA PRO A 15 -8.197 -6.362 -4.681 1.00 0.00 C ATOM 208 C PRO A 15 -7.188 -7.503 -4.504 1.00 0.00 C ATOM 209 O PRO A 15 -6.756 -8.118 -5.459 1.00 0.00 O ATOM 210 CB PRO A 15 -7.662 -5.305 -5.652 1.00 0.00 C ATOM 211 CG PRO A 15 -7.027 -4.194 -4.782 1.00 0.00 C ATOM 212 CD PRO A 15 -7.631 -4.335 -3.372 1.00 0.00 C ATOM 0 HA PRO A 15 -9.118 -6.829 -5.029 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.925 -5.737 -6.329 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -8.465 -4.903 -6.270 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.943 -4.300 -4.751 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -7.239 -3.209 -5.197 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.855 -4.350 -2.606 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.294 -3.502 -3.138 1.00 0.00 H new ATOM 220 N LEU A 16 -6.808 -7.788 -3.287 1.00 0.00 N ATOM 221 CA LEU A 16 -5.829 -8.882 -3.037 1.00 0.00 C ATOM 222 C LEU A 16 -6.550 -10.074 -2.404 1.00 0.00 C ATOM 223 O LEU A 16 -6.339 -11.211 -2.777 1.00 0.00 O ATOM 224 CB LEU A 16 -4.745 -8.383 -2.078 1.00 0.00 C ATOM 225 CG LEU A 16 -3.553 -7.838 -2.869 1.00 0.00 C ATOM 226 CD1 LEU A 16 -2.733 -9.004 -3.423 1.00 0.00 C ATOM 227 CD2 LEU A 16 -4.048 -6.969 -4.029 1.00 0.00 C ATOM 0 H LEU A 16 -7.137 -7.306 -2.451 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.374 -9.186 -3.980 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.150 -7.604 -1.433 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.420 -9.196 -1.430 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.932 -7.233 -2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.884 -8.617 -3.986 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.371 -9.619 -2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.358 -9.609 -4.079 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.194 -6.585 -4.587 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.674 -7.568 -4.691 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.629 -6.135 -3.636 1.00 0.00 H new ATOM 239 N CYS A 17 -7.403 -9.821 -1.448 1.00 0.00 N ATOM 240 CA CYS A 17 -8.140 -10.936 -0.787 1.00 0.00 C ATOM 241 C CYS A 17 -9.642 -10.712 -0.956 1.00 0.00 C ATOM 242 O CYS A 17 -10.435 -11.625 -0.849 1.00 0.00 O ATOM 243 CB CYS A 17 -7.794 -10.968 0.705 1.00 0.00 C ATOM 244 SG CYS A 17 -8.541 -9.542 1.537 1.00 0.00 S ATOM 0 H CYS A 17 -7.621 -8.889 -1.096 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.855 -11.884 -1.243 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.157 -11.893 1.152 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.712 -10.953 0.838 1.00 0.00 H new ATOM 0 HG CYS A 17 -8.085 -8.444 1.010 1.00 0.00 H new ATOM 249 N MET A 18 -10.028 -9.494 -1.220 1.00 0.00 N ATOM 250 CA MET A 18 -11.468 -9.172 -1.403 1.00 0.00 C ATOM 251 C MET A 18 -12.132 -8.982 -0.038 1.00 0.00 C ATOM 252 O MET A 18 -12.232 -9.901 0.750 1.00 0.00 O ATOM 253 CB MET A 18 -12.166 -10.304 -2.162 1.00 0.00 C ATOM 254 CG MET A 18 -13.173 -9.714 -3.151 1.00 0.00 C ATOM 255 SD MET A 18 -14.777 -9.522 -2.334 1.00 0.00 S ATOM 256 CE MET A 18 -15.749 -10.498 -3.507 1.00 0.00 C ATOM 0 H MET A 18 -9.397 -8.699 -1.318 1.00 0.00 H new ATOM 0 HA MET A 18 -11.555 -8.251 -1.979 1.00 0.00 H new ATOM 0 HB2 MET A 18 -11.430 -10.907 -2.693 1.00 0.00 H new ATOM 0 HB3 MET A 18 -12.674 -10.966 -1.461 1.00 0.00 H new ATOM 0 HG2 MET A 18 -12.820 -8.749 -3.514 1.00 0.00 H new ATOM 0 HG3 MET A 18 -13.271 -10.365 -4.020 1.00 0.00 H new ATOM 0 HE1 MET A 18 -16.792 -10.514 -3.191 1.00 0.00 H new ATOM 0 HE2 MET A 18 -15.677 -10.052 -4.499 1.00 0.00 H new ATOM 0 HE3 MET A 18 -15.364 -11.517 -3.539 1.00 0.00 H new ATOM 266 N GLU A 19 -12.588 -7.792 0.247 1.00 0.00 N ATOM 267 CA GLU A 19 -13.247 -7.534 1.558 1.00 0.00 C ATOM 268 C GLU A 19 -13.609 -6.049 1.655 1.00 0.00 C ATOM 269 O GLU A 19 -13.077 -5.236 0.926 1.00 0.00 O ATOM 270 CB GLU A 19 -12.293 -7.911 2.694 1.00 0.00 C ATOM 271 CG GLU A 19 -12.907 -9.048 3.514 1.00 0.00 C ATOM 272 CD GLU A 19 -11.837 -10.102 3.808 1.00 0.00 C ATOM 273 OE1 GLU A 19 -10.959 -9.820 4.606 1.00 0.00 O ATOM 274 OE2 GLU A 19 -11.916 -11.175 3.231 1.00 0.00 O ATOM 0 H GLU A 19 -12.532 -6.985 -0.375 1.00 0.00 H new ATOM 0 HA GLU A 19 -14.153 -8.135 1.639 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.330 -8.219 2.288 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -12.108 -7.046 3.331 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.315 -8.659 4.447 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -13.736 -9.498 2.967 1.00 0.00 H new ATOM 281 N PRO A 20 -14.511 -5.740 2.551 1.00 0.00 N ATOM 282 CA PRO A 20 -14.978 -4.359 2.766 1.00 0.00 C ATOM 283 C PRO A 20 -13.943 -3.557 3.560 1.00 0.00 C ATOM 284 O PRO A 20 -13.664 -3.846 4.707 1.00 0.00 O ATOM 285 CB PRO A 20 -16.266 -4.535 3.574 1.00 0.00 C ATOM 286 CG PRO A 20 -16.167 -5.922 4.252 1.00 0.00 C ATOM 287 CD PRO A 20 -15.148 -6.739 3.435 1.00 0.00 C ATOM 0 HA PRO A 20 -15.134 -3.813 1.836 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -16.369 -3.745 4.318 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.141 -4.480 2.927 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.844 -5.825 5.288 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -17.138 -6.417 4.266 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.416 -7.224 4.081 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.637 -7.526 2.860 1.00 0.00 H new ATOM 295 N LEU A 21 -13.375 -2.549 2.957 1.00 0.00 N ATOM 296 CA LEU A 21 -12.361 -1.723 3.672 1.00 0.00 C ATOM 297 C LEU A 21 -13.061 -0.816 4.686 1.00 0.00 C ATOM 298 O LEU A 21 -14.229 -0.974 4.976 1.00 0.00 O ATOM 299 CB LEU A 21 -11.609 -0.859 2.658 1.00 0.00 C ATOM 300 CG LEU A 21 -10.625 -1.729 1.876 1.00 0.00 C ATOM 301 CD1 LEU A 21 -10.491 -1.187 0.453 1.00 0.00 C ATOM 302 CD2 LEU A 21 -9.259 -1.692 2.563 1.00 0.00 C ATOM 0 H LEU A 21 -13.570 -2.261 1.998 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.661 -2.377 4.192 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.314 -0.385 1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.075 -0.059 3.171 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.990 -2.756 1.844 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.790 -1.805 -0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.464 -1.207 -0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.123 -0.162 0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.555 -2.312 2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.894 -0.665 2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.353 -2.073 3.580 1.00 0.00 H new ATOM 314 N GLU A 22 -12.351 0.140 5.224 1.00 0.00 N ATOM 315 CA GLU A 22 -12.967 1.063 6.216 1.00 0.00 C ATOM 316 C GLU A 22 -12.480 2.489 5.947 1.00 0.00 C ATOM 317 O GLU A 22 -11.683 2.725 5.059 1.00 0.00 O ATOM 318 CB GLU A 22 -12.562 0.640 7.631 1.00 0.00 C ATOM 319 CG GLU A 22 -13.529 -0.430 8.140 1.00 0.00 C ATOM 320 CD GLU A 22 -14.926 0.175 8.290 1.00 0.00 C ATOM 321 OE1 GLU A 22 -15.215 0.691 9.357 1.00 0.00 O ATOM 322 OE2 GLU A 22 -15.682 0.112 7.334 1.00 0.00 O ATOM 0 H GLU A 22 -11.369 0.320 5.017 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.053 1.025 6.127 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.543 0.253 7.629 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.574 1.503 8.297 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.557 -1.270 7.446 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.185 -0.820 9.098 1.00 0.00 H new ATOM 329 N ILE A 23 -12.952 3.444 6.700 1.00 0.00 N ATOM 330 CA ILE A 23 -12.517 4.852 6.482 1.00 0.00 C ATOM 331 C ILE A 23 -11.038 5.001 6.859 1.00 0.00 C ATOM 332 O ILE A 23 -10.257 5.578 6.130 1.00 0.00 O ATOM 333 CB ILE A 23 -13.369 5.787 7.350 1.00 0.00 C ATOM 334 CG1 ILE A 23 -14.748 5.965 6.706 1.00 0.00 C ATOM 335 CG2 ILE A 23 -12.685 7.151 7.473 1.00 0.00 C ATOM 336 CD1 ILE A 23 -14.634 6.880 5.484 1.00 0.00 C ATOM 0 H ILE A 23 -13.621 3.310 7.458 1.00 0.00 H new ATOM 0 HA ILE A 23 -12.645 5.114 5.432 1.00 0.00 H new ATOM 0 HB ILE A 23 -13.481 5.351 8.343 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -15.149 4.996 6.410 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -15.445 6.392 7.428 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -13.295 7.810 8.091 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.705 7.026 7.934 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -12.567 7.589 6.482 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -15.617 7.004 5.029 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -14.252 7.853 5.792 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.952 6.436 4.759 1.00 0.00 H new ATOM 348 N ASP A 24 -10.652 4.494 7.998 1.00 0.00 N ATOM 349 CA ASP A 24 -9.228 4.619 8.427 1.00 0.00 C ATOM 350 C ASP A 24 -8.379 3.522 7.776 1.00 0.00 C ATOM 351 O ASP A 24 -7.243 3.309 8.149 1.00 0.00 O ATOM 352 CB ASP A 24 -9.143 4.490 9.949 1.00 0.00 C ATOM 353 CG ASP A 24 -8.533 5.763 10.537 1.00 0.00 C ATOM 354 OD1 ASP A 24 -8.825 6.829 10.020 1.00 0.00 O ATOM 355 OD2 ASP A 24 -7.783 5.651 11.493 1.00 0.00 O ATOM 0 H ASP A 24 -11.260 3.999 8.650 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.849 5.592 8.116 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.136 4.324 10.366 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.536 3.626 10.218 1.00 0.00 H new ATOM 360 N ASP A 25 -8.911 2.826 6.808 1.00 0.00 N ATOM 361 CA ASP A 25 -8.115 1.750 6.148 1.00 0.00 C ATOM 362 C ASP A 25 -7.946 2.076 4.662 1.00 0.00 C ATOM 363 O ASP A 25 -7.060 1.568 4.002 1.00 0.00 O ATOM 364 CB ASP A 25 -8.842 0.411 6.296 1.00 0.00 C ATOM 365 CG ASP A 25 -8.885 0.012 7.773 1.00 0.00 C ATOM 366 OD1 ASP A 25 -8.514 0.831 8.598 1.00 0.00 O ATOM 367 OD2 ASP A 25 -9.290 -1.104 8.054 1.00 0.00 O ATOM 0 H ASP A 25 -9.856 2.954 6.447 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.134 1.685 6.620 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.855 0.490 5.900 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.332 -0.358 5.716 1.00 0.00 H new ATOM 372 N ILE A 26 -8.788 2.918 4.131 1.00 0.00 N ATOM 373 CA ILE A 26 -8.678 3.276 2.688 1.00 0.00 C ATOM 374 C ILE A 26 -7.357 4.013 2.439 1.00 0.00 C ATOM 375 O ILE A 26 -6.449 3.492 1.823 1.00 0.00 O ATOM 376 CB ILE A 26 -9.853 4.185 2.305 1.00 0.00 C ATOM 377 CG1 ILE A 26 -11.119 3.338 2.145 1.00 0.00 C ATOM 378 CG2 ILE A 26 -9.557 4.903 0.985 1.00 0.00 C ATOM 379 CD1 ILE A 26 -12.343 4.255 2.123 1.00 0.00 C ATOM 0 H ILE A 26 -9.549 3.375 4.634 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.702 2.370 2.083 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.998 4.927 3.090 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.068 2.758 1.223 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.199 2.625 2.966 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.398 5.545 0.724 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.658 5.509 1.094 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.404 4.166 0.196 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.246 3.654 2.009 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.395 4.815 3.057 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.262 4.950 1.287 1.00 0.00 H new ATOM 391 N ASN A 27 -7.253 5.226 2.907 1.00 0.00 N ATOM 392 CA ASN A 27 -6.002 6.011 2.693 1.00 0.00 C ATOM 393 C ASN A 27 -4.777 5.155 3.026 1.00 0.00 C ATOM 394 O ASN A 27 -3.690 5.402 2.541 1.00 0.00 O ATOM 395 CB ASN A 27 -6.019 7.246 3.596 1.00 0.00 C ATOM 396 CG ASN A 27 -6.692 6.901 4.926 1.00 0.00 C ATOM 397 OD1 ASN A 27 -7.836 7.246 5.150 1.00 0.00 O ATOM 398 ND2 ASN A 27 -6.026 6.232 5.827 1.00 0.00 N ATOM 0 H ASN A 27 -7.982 5.710 3.430 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.948 6.316 1.648 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.001 7.594 3.772 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -6.554 8.059 3.106 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.465 5.999 6.718 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -5.066 5.942 5.641 1.00 0.00 H new ATOM 405 N PHE A 28 -4.934 4.158 3.850 1.00 0.00 N ATOM 406 CA PHE A 28 -3.768 3.301 4.211 1.00 0.00 C ATOM 407 C PHE A 28 -3.441 2.346 3.059 1.00 0.00 C ATOM 408 O PHE A 28 -4.131 1.372 2.835 1.00 0.00 O ATOM 409 CB PHE A 28 -4.099 2.488 5.463 1.00 0.00 C ATOM 410 CG PHE A 28 -2.999 1.485 5.715 1.00 0.00 C ATOM 411 CD1 PHE A 28 -1.725 1.924 6.095 1.00 0.00 C ATOM 412 CD2 PHE A 28 -3.251 0.116 5.566 1.00 0.00 C ATOM 413 CE1 PHE A 28 -0.705 0.996 6.328 1.00 0.00 C ATOM 414 CE2 PHE A 28 -2.231 -0.813 5.798 1.00 0.00 C ATOM 415 CZ PHE A 28 -0.957 -0.374 6.180 1.00 0.00 C ATOM 0 H PHE A 28 -5.817 3.898 4.289 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.906 3.939 4.404 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.206 3.150 6.322 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.052 1.975 5.335 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.530 2.980 6.208 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.233 -0.223 5.272 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.277 1.336 6.622 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -2.426 -1.869 5.683 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.170 -1.091 6.360 1.00 0.00 H new ATOM 425 N PHE A 29 -2.386 2.610 2.334 1.00 0.00 N ATOM 426 CA PHE A 29 -2.008 1.708 1.209 1.00 0.00 C ATOM 427 C PHE A 29 -0.528 1.344 1.327 1.00 0.00 C ATOM 428 O PHE A 29 0.272 2.144 1.768 1.00 0.00 O ATOM 429 CB PHE A 29 -2.243 2.412 -0.132 1.00 0.00 C ATOM 430 CG PHE A 29 -2.005 3.894 0.023 1.00 0.00 C ATOM 431 CD1 PHE A 29 -0.720 4.378 0.306 1.00 0.00 C ATOM 432 CD2 PHE A 29 -3.074 4.785 -0.115 1.00 0.00 C ATOM 433 CE1 PHE A 29 -0.509 5.754 0.454 1.00 0.00 C ATOM 434 CE2 PHE A 29 -2.863 6.160 0.031 1.00 0.00 C ATOM 435 CZ PHE A 29 -1.581 6.645 0.317 1.00 0.00 C ATOM 0 H PHE A 29 -1.770 3.411 2.473 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.620 0.807 1.256 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.574 2.004 -0.890 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.262 2.231 -0.475 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.106 3.690 0.410 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.063 4.411 -0.334 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.480 6.128 0.674 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.689 6.848 -0.077 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.419 7.707 0.432 1.00 0.00 H new ATOM 445 N PRO A 30 -0.204 0.145 0.922 1.00 0.00 N ATOM 446 CA PRO A 30 1.178 -0.352 0.959 1.00 0.00 C ATOM 447 C PRO A 30 1.967 0.187 -0.238 1.00 0.00 C ATOM 448 O PRO A 30 3.099 -0.184 -0.457 1.00 0.00 O ATOM 449 CB PRO A 30 1.016 -1.871 0.865 1.00 0.00 C ATOM 450 CG PRO A 30 -0.364 -2.121 0.214 1.00 0.00 C ATOM 451 CD PRO A 30 -1.183 -0.829 0.400 1.00 0.00 C ATOM 0 HA PRO A 30 1.724 -0.042 1.850 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.814 -2.311 0.266 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.069 -2.329 1.852 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.255 -2.361 -0.844 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.865 -2.968 0.683 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.617 -0.493 -0.542 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.008 -0.977 1.096 1.00 0.00 H new ATOM 459 N CYS A 31 1.380 1.056 -1.017 1.00 0.00 N ATOM 460 CA CYS A 31 2.109 1.606 -2.198 1.00 0.00 C ATOM 461 C CYS A 31 1.568 2.997 -2.546 1.00 0.00 C ATOM 462 O CYS A 31 0.508 3.391 -2.102 1.00 0.00 O ATOM 463 CB CYS A 31 1.914 0.677 -3.396 1.00 0.00 C ATOM 464 SG CYS A 31 3.075 1.140 -4.702 1.00 0.00 S ATOM 0 H CYS A 31 0.431 1.408 -0.888 1.00 0.00 H new ATOM 0 HA CYS A 31 3.169 1.681 -1.957 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.077 -0.359 -3.098 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.890 0.746 -3.762 1.00 0.00 H new ATOM 0 HG CYS A 31 2.857 0.409 -5.755 1.00 0.00 H new ATOM 469 N THR A 32 2.292 3.744 -3.337 1.00 0.00 N ATOM 470 CA THR A 32 1.829 5.110 -3.713 1.00 0.00 C ATOM 471 C THR A 32 0.993 5.049 -4.997 1.00 0.00 C ATOM 472 O THR A 32 0.052 5.800 -5.166 1.00 0.00 O ATOM 473 CB THR A 32 3.044 6.010 -3.946 1.00 0.00 C ATOM 474 OG1 THR A 32 4.063 5.267 -4.598 1.00 0.00 O ATOM 475 CG2 THR A 32 3.564 6.526 -2.604 1.00 0.00 C ATOM 0 H THR A 32 3.187 3.465 -3.740 1.00 0.00 H new ATOM 0 HA THR A 32 1.217 5.513 -2.906 1.00 0.00 H new ATOM 0 HB THR A 32 2.756 6.856 -4.570 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.841 5.843 -4.750 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.430 7.167 -2.771 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.781 7.097 -2.105 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.853 5.682 -1.977 1.00 0.00 H new ATOM 483 N CYS A 33 1.331 4.174 -5.909 1.00 0.00 N ATOM 484 CA CYS A 33 0.555 4.088 -7.182 1.00 0.00 C ATOM 485 C CYS A 33 -0.943 4.165 -6.872 1.00 0.00 C ATOM 486 O CYS A 33 -1.709 4.746 -7.616 1.00 0.00 O ATOM 487 CB CYS A 33 0.874 2.773 -7.903 1.00 0.00 C ATOM 488 SG CYS A 33 0.125 1.387 -7.014 1.00 0.00 S ATOM 0 H CYS A 33 2.108 3.518 -5.828 1.00 0.00 H new ATOM 0 HA CYS A 33 0.833 4.919 -7.830 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.497 2.808 -8.925 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.953 2.635 -7.966 1.00 0.00 H new ATOM 0 HG CYS A 33 0.923 0.999 -6.064 1.00 0.00 H new ATOM 493 N GLY A 34 -1.367 3.599 -5.773 1.00 0.00 N ATOM 494 CA GLY A 34 -2.815 3.660 -5.416 1.00 0.00 C ATOM 495 C GLY A 34 -3.404 2.249 -5.343 1.00 0.00 C ATOM 496 O GLY A 34 -4.605 2.071 -5.374 1.00 0.00 O ATOM 0 H GLY A 34 -0.776 3.099 -5.109 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.939 4.163 -4.457 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.355 4.249 -6.158 1.00 0.00 H new ATOM 500 N TYR A 35 -2.576 1.247 -5.231 1.00 0.00 N ATOM 501 CA TYR A 35 -3.110 -0.142 -5.142 1.00 0.00 C ATOM 502 C TYR A 35 -3.411 -0.460 -3.677 1.00 0.00 C ATOM 503 O TYR A 35 -3.050 -1.501 -3.164 1.00 0.00 O ATOM 504 CB TYR A 35 -2.074 -1.131 -5.683 1.00 0.00 C ATOM 505 CG TYR A 35 -2.783 -2.323 -6.283 1.00 0.00 C ATOM 506 CD1 TYR A 35 -3.678 -2.142 -7.344 1.00 0.00 C ATOM 507 CD2 TYR A 35 -2.543 -3.606 -5.779 1.00 0.00 C ATOM 508 CE1 TYR A 35 -4.336 -3.247 -7.901 1.00 0.00 C ATOM 509 CE2 TYR A 35 -3.201 -4.710 -6.336 1.00 0.00 C ATOM 510 CZ TYR A 35 -4.097 -4.531 -7.397 1.00 0.00 C ATOM 511 OH TYR A 35 -4.743 -5.620 -7.946 1.00 0.00 O ATOM 0 H TYR A 35 -1.560 1.328 -5.197 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.021 -0.227 -5.735 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.452 -0.647 -6.436 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.410 -1.454 -4.881 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.861 -1.151 -7.733 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.851 -3.745 -4.961 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.027 -3.108 -8.719 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -3.017 -5.700 -5.947 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.463 -6.435 -7.480 1.00 0.00 H new ATOM 521 N GLN A 36 -4.064 0.444 -2.999 1.00 0.00 N ATOM 522 CA GLN A 36 -4.393 0.227 -1.562 1.00 0.00 C ATOM 523 C GLN A 36 -5.029 -1.151 -1.363 1.00 0.00 C ATOM 524 O GLN A 36 -5.728 -1.658 -2.219 1.00 0.00 O ATOM 525 CB GLN A 36 -5.375 1.311 -1.113 1.00 0.00 C ATOM 526 CG GLN A 36 -5.700 1.132 0.370 1.00 0.00 C ATOM 527 CD GLN A 36 -7.202 1.318 0.577 1.00 0.00 C ATOM 528 OE1 GLN A 36 -7.842 0.520 1.235 1.00 0.00 O ATOM 529 NE2 GLN A 36 -7.797 2.347 0.041 1.00 0.00 N ATOM 0 H GLN A 36 -4.387 1.332 -3.383 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.479 0.277 -0.971 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.945 2.298 -1.284 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.289 1.255 -1.705 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.394 0.141 0.705 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.145 1.856 0.967 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.260 3.016 -0.511 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.799 2.483 0.174 1.00 0.00 H new ATOM 538 N ILE A 37 -4.798 -1.752 -0.227 1.00 0.00 N ATOM 539 CA ILE A 37 -5.389 -3.090 0.052 1.00 0.00 C ATOM 540 C ILE A 37 -5.820 -3.143 1.522 1.00 0.00 C ATOM 541 O ILE A 37 -5.913 -2.129 2.184 1.00 0.00 O ATOM 542 CB ILE A 37 -4.352 -4.182 -0.228 1.00 0.00 C ATOM 543 CG1 ILE A 37 -3.041 -3.839 0.483 1.00 0.00 C ATOM 544 CG2 ILE A 37 -4.102 -4.269 -1.735 1.00 0.00 C ATOM 545 CD1 ILE A 37 -2.606 -5.025 1.346 1.00 0.00 C ATOM 0 H ILE A 37 -4.222 -1.370 0.523 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.254 -3.255 -0.591 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.725 -5.138 0.139 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.268 -3.605 -0.249 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.172 -2.952 1.103 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -3.364 -5.045 -1.937 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.034 -4.512 -2.245 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.729 -3.311 -2.098 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.672 -4.783 1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.377 -5.238 2.087 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.459 -5.900 0.714 1.00 0.00 H new ATOM 557 N CYS A 38 -6.083 -4.310 2.042 1.00 0.00 N ATOM 558 CA CYS A 38 -6.506 -4.409 3.466 1.00 0.00 C ATOM 559 C CYS A 38 -5.266 -4.601 4.347 1.00 0.00 C ATOM 560 O CYS A 38 -4.165 -4.748 3.855 1.00 0.00 O ATOM 561 CB CYS A 38 -7.482 -5.583 3.633 1.00 0.00 C ATOM 562 SG CYS A 38 -6.580 -7.153 3.640 1.00 0.00 S ATOM 0 H CYS A 38 -6.023 -5.198 1.543 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.014 -3.494 3.770 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.040 -5.472 4.563 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.210 -5.578 2.822 1.00 0.00 H new ATOM 0 HG CYS A 38 -7.222 -8.025 2.921 1.00 0.00 H new ATOM 567 N ARG A 39 -5.428 -4.590 5.642 1.00 0.00 N ATOM 568 CA ARG A 39 -4.249 -4.759 6.540 1.00 0.00 C ATOM 569 C ARG A 39 -3.878 -6.240 6.647 1.00 0.00 C ATOM 570 O ARG A 39 -2.775 -6.587 7.023 1.00 0.00 O ATOM 571 CB ARG A 39 -4.582 -4.212 7.930 1.00 0.00 C ATOM 572 CG ARG A 39 -3.605 -3.087 8.282 1.00 0.00 C ATOM 573 CD ARG A 39 -4.371 -1.914 8.894 1.00 0.00 C ATOM 574 NE ARG A 39 -3.814 -1.599 10.240 1.00 0.00 N ATOM 575 CZ ARG A 39 -3.013 -0.580 10.394 1.00 0.00 C ATOM 576 NH1 ARG A 39 -1.916 -0.499 9.691 1.00 0.00 N ATOM 577 NH2 ARG A 39 -3.309 0.360 11.250 1.00 0.00 N ATOM 0 H ARG A 39 -6.323 -4.472 6.117 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.404 -4.210 6.125 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.606 -3.839 7.950 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.518 -5.009 8.671 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.855 -3.450 8.984 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.074 -2.760 7.388 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.297 -1.041 8.246 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.429 -2.161 8.976 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.059 -2.180 11.042 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.684 -1.232 9.021 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.290 0.298 9.812 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.167 0.298 11.799 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.683 1.156 11.370 1.00 0.00 H new ATOM 591 N PHE A 40 -4.785 -7.118 6.322 1.00 0.00 N ATOM 592 CA PHE A 40 -4.477 -8.574 6.410 1.00 0.00 C ATOM 593 C PHE A 40 -3.637 -8.996 5.199 1.00 0.00 C ATOM 594 O PHE A 40 -2.984 -10.020 5.210 1.00 0.00 O ATOM 595 CB PHE A 40 -5.785 -9.368 6.426 1.00 0.00 C ATOM 596 CG PHE A 40 -6.017 -9.941 7.804 1.00 0.00 C ATOM 597 CD1 PHE A 40 -5.155 -10.923 8.308 1.00 0.00 C ATOM 598 CD2 PHE A 40 -7.096 -9.493 8.576 1.00 0.00 C ATOM 599 CE1 PHE A 40 -5.373 -11.457 9.584 1.00 0.00 C ATOM 600 CE2 PHE A 40 -7.313 -10.027 9.853 1.00 0.00 C ATOM 601 CZ PHE A 40 -6.452 -11.009 10.356 1.00 0.00 C ATOM 0 H PHE A 40 -5.726 -6.892 5.999 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.917 -8.773 7.324 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -6.617 -8.722 6.146 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -5.743 -10.171 5.690 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.323 -11.268 7.713 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -7.761 -8.736 8.187 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.709 -12.215 9.973 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -8.144 -9.681 10.449 1.00 0.00 H new ATOM 0 HZ PHE A 40 -6.620 -11.421 11.340 1.00 0.00 H new ATOM 611 N CYS A 41 -3.653 -8.215 4.153 1.00 0.00 N ATOM 612 CA CYS A 41 -2.862 -8.566 2.940 1.00 0.00 C ATOM 613 C CYS A 41 -1.475 -7.925 3.024 1.00 0.00 C ATOM 614 O CYS A 41 -0.541 -8.353 2.377 1.00 0.00 O ATOM 615 CB CYS A 41 -3.584 -8.050 1.692 1.00 0.00 C ATOM 616 SG CYS A 41 -4.832 -9.253 1.167 1.00 0.00 S ATOM 0 H CYS A 41 -4.182 -7.346 4.087 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.757 -9.649 2.881 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -4.056 -7.091 1.904 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -2.867 -7.882 0.889 1.00 0.00 H new ATOM 0 HG CYS A 41 -5.801 -8.636 0.559 1.00 0.00 H new ATOM 621 N TRP A 42 -1.339 -6.886 3.805 1.00 0.00 N ATOM 622 CA TRP A 42 -0.020 -6.202 3.918 1.00 0.00 C ATOM 623 C TRP A 42 0.925 -7.017 4.806 1.00 0.00 C ATOM 624 O TRP A 42 1.968 -7.463 4.371 1.00 0.00 O ATOM 625 CB TRP A 42 -0.222 -4.816 4.534 1.00 0.00 C ATOM 626 CG TRP A 42 1.108 -4.215 4.854 1.00 0.00 C ATOM 627 CD1 TRP A 42 2.023 -3.823 3.939 1.00 0.00 C ATOM 628 CD2 TRP A 42 1.688 -3.932 6.161 1.00 0.00 C ATOM 629 NE1 TRP A 42 3.129 -3.318 4.599 1.00 0.00 N ATOM 630 CE2 TRP A 42 2.970 -3.362 5.971 1.00 0.00 C ATOM 631 CE3 TRP A 42 1.231 -4.111 7.479 1.00 0.00 C ATOM 632 CZ2 TRP A 42 3.769 -2.986 7.050 1.00 0.00 C ATOM 633 CZ3 TRP A 42 2.034 -3.732 8.568 1.00 0.00 C ATOM 634 CH2 TRP A 42 3.300 -3.171 8.353 1.00 0.00 C ATOM 0 H TRP A 42 -2.086 -6.482 4.370 1.00 0.00 H new ATOM 0 HA TRP A 42 0.419 -6.108 2.925 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.766 -4.174 3.841 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.826 -4.893 5.438 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.909 -3.893 2.867 1.00 0.00 H new ATOM 0 HE1 TRP A 42 3.960 -2.957 4.130 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.257 -4.542 7.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.744 -2.554 6.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.674 -3.874 9.576 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.913 -2.882 9.194 1.00 0.00 H new ATOM 645 N HIS A 43 0.577 -7.205 6.050 1.00 0.00 N ATOM 646 CA HIS A 43 1.466 -7.977 6.965 1.00 0.00 C ATOM 647 C HIS A 43 1.853 -9.312 6.321 1.00 0.00 C ATOM 648 O HIS A 43 2.825 -9.935 6.702 1.00 0.00 O ATOM 649 CB HIS A 43 0.740 -8.231 8.292 1.00 0.00 C ATOM 650 CG HIS A 43 -0.269 -9.335 8.122 1.00 0.00 C ATOM 651 ND1 HIS A 43 0.106 -10.665 8.010 1.00 0.00 N ATOM 652 CD2 HIS A 43 -1.639 -9.324 8.048 1.00 0.00 C ATOM 653 CE1 HIS A 43 -1.018 -11.392 7.878 1.00 0.00 C ATOM 654 NE2 HIS A 43 -2.110 -10.625 7.895 1.00 0.00 N ATOM 0 H HIS A 43 -0.284 -6.858 6.472 1.00 0.00 H new ATOM 0 HA HIS A 43 2.372 -7.401 7.152 1.00 0.00 H new ATOM 0 HB2 HIS A 43 1.460 -8.501 9.064 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.242 -7.320 8.624 1.00 0.00 H new ATOM 0 HD1 HIS A 43 1.060 -11.026 8.025 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -2.258 -8.440 8.100 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -1.035 -12.467 7.771 1.00 0.00 H new ATOM 662 N ARG A 44 1.101 -9.764 5.356 1.00 0.00 N ATOM 663 CA ARG A 44 1.432 -11.062 4.702 1.00 0.00 C ATOM 664 C ARG A 44 2.290 -10.815 3.458 1.00 0.00 C ATOM 665 O ARG A 44 3.119 -11.625 3.095 1.00 0.00 O ATOM 666 CB ARG A 44 0.138 -11.770 4.298 1.00 0.00 C ATOM 667 CG ARG A 44 0.469 -13.149 3.722 1.00 0.00 C ATOM 668 CD ARG A 44 -0.581 -13.528 2.675 1.00 0.00 C ATOM 669 NE ARG A 44 0.071 -13.659 1.342 1.00 0.00 N ATOM 670 CZ ARG A 44 -0.536 -14.296 0.379 1.00 0.00 C ATOM 671 NH1 ARG A 44 0.006 -15.364 -0.140 1.00 0.00 N ATOM 672 NH2 ARG A 44 -1.684 -13.864 -0.068 1.00 0.00 N ATOM 0 H ARG A 44 0.273 -9.292 4.992 1.00 0.00 H new ATOM 0 HA ARG A 44 1.989 -11.686 5.401 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.518 -11.873 5.163 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.399 -11.175 3.559 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.461 -13.138 3.271 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.489 -13.893 4.519 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.062 -14.467 2.950 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.362 -12.769 2.637 1.00 0.00 H new ATOM 0 HE ARG A 44 0.992 -13.251 1.182 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.904 -15.700 0.207 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.469 -15.862 -0.893 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.107 -13.028 0.336 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.158 -14.362 -0.821 1.00 0.00 H new ATOM 686 N ILE A 45 2.100 -9.704 2.797 1.00 0.00 N ATOM 687 CA ILE A 45 2.908 -9.417 1.576 1.00 0.00 C ATOM 688 C ILE A 45 4.326 -9.008 1.985 1.00 0.00 C ATOM 689 O ILE A 45 5.298 -9.600 1.559 1.00 0.00 O ATOM 690 CB ILE A 45 2.250 -8.281 0.785 1.00 0.00 C ATOM 691 CG1 ILE A 45 1.014 -8.821 0.057 1.00 0.00 C ATOM 692 CG2 ILE A 45 3.239 -7.723 -0.241 1.00 0.00 C ATOM 693 CD1 ILE A 45 0.174 -7.652 -0.460 1.00 0.00 C ATOM 0 H ILE A 45 1.422 -8.985 3.049 1.00 0.00 H new ATOM 0 HA ILE A 45 2.957 -10.310 0.953 1.00 0.00 H new ATOM 0 HB ILE A 45 1.957 -7.486 1.471 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.318 -9.459 -0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.421 -9.437 0.733 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.766 -6.916 -0.801 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.120 -7.340 0.274 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.536 -8.515 -0.928 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.705 -8.036 -0.978 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.141 -7.032 0.379 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.769 -7.054 -1.150 1.00 0.00 H new ATOM 705 N ARG A 46 4.453 -8.001 2.805 1.00 0.00 N ATOM 706 CA ARG A 46 5.808 -7.555 3.237 1.00 0.00 C ATOM 707 C ARG A 46 6.460 -8.646 4.090 1.00 0.00 C ATOM 708 O ARG A 46 7.626 -8.570 4.424 1.00 0.00 O ATOM 709 CB ARG A 46 5.684 -6.271 4.060 1.00 0.00 C ATOM 710 CG ARG A 46 7.079 -5.714 4.353 1.00 0.00 C ATOM 711 CD ARG A 46 7.175 -4.280 3.829 1.00 0.00 C ATOM 712 NE ARG A 46 8.590 -3.818 3.906 1.00 0.00 N ATOM 713 CZ ARG A 46 9.207 -3.424 2.826 1.00 0.00 C ATOM 714 NH1 ARG A 46 10.086 -4.202 2.257 1.00 0.00 N ATOM 715 NH2 ARG A 46 8.944 -2.252 2.315 1.00 0.00 N ATOM 0 H ARG A 46 3.676 -7.467 3.195 1.00 0.00 H new ATOM 0 HA ARG A 46 6.424 -7.366 2.358 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.094 -5.534 3.516 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.159 -6.474 4.993 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.273 -5.735 5.425 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.838 -6.337 3.880 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.821 -4.233 2.799 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.534 -3.623 4.417 1.00 0.00 H new ATOM 0 HE ARG A 46 9.076 -3.810 4.803 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.291 -5.118 2.656 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.569 -3.894 1.413 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.256 -1.644 2.760 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.426 -1.944 1.471 1.00 0.00 H new ATOM 729 N THR A 47 5.721 -9.661 4.445 1.00 0.00 N ATOM 730 CA THR A 47 6.304 -10.752 5.275 1.00 0.00 C ATOM 731 C THR A 47 6.262 -12.067 4.494 1.00 0.00 C ATOM 732 O THR A 47 7.272 -12.556 4.027 1.00 0.00 O ATOM 733 CB THR A 47 5.496 -10.898 6.567 1.00 0.00 C ATOM 734 OG1 THR A 47 5.342 -9.623 7.174 1.00 0.00 O ATOM 735 CG2 THR A 47 6.227 -11.837 7.527 1.00 0.00 C ATOM 0 H THR A 47 4.739 -9.782 4.196 1.00 0.00 H new ATOM 0 HA THR A 47 7.338 -10.509 5.519 1.00 0.00 H new ATOM 0 HB THR A 47 4.515 -11.312 6.336 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.390 -9.443 7.320 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.650 -11.939 8.446 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.343 -12.815 7.061 1.00 0.00 H new ATOM 0 HG23 THR A 47 7.210 -11.427 7.760 1.00 0.00 H new ATOM 743 N ASP A 48 5.102 -12.646 4.349 1.00 0.00 N ATOM 744 CA ASP A 48 4.995 -13.931 3.600 1.00 0.00 C ATOM 745 C ASP A 48 5.622 -13.770 2.214 1.00 0.00 C ATOM 746 O ASP A 48 6.083 -14.723 1.617 1.00 0.00 O ATOM 747 CB ASP A 48 3.521 -14.310 3.452 1.00 0.00 C ATOM 748 CG ASP A 48 3.386 -15.834 3.442 1.00 0.00 C ATOM 749 OD1 ASP A 48 3.658 -16.439 4.466 1.00 0.00 O ATOM 750 OD2 ASP A 48 3.013 -16.369 2.411 1.00 0.00 O ATOM 0 H ASP A 48 4.222 -12.285 4.717 1.00 0.00 H new ATOM 0 HA ASP A 48 5.521 -14.715 4.146 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.942 -13.888 4.273 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.118 -13.892 2.530 1.00 0.00 H new ATOM 755 N GLU A 49 5.642 -12.573 1.694 1.00 0.00 N ATOM 756 CA GLU A 49 6.238 -12.359 0.346 1.00 0.00 C ATOM 757 C GLU A 49 7.424 -11.398 0.458 1.00 0.00 C ATOM 758 O GLU A 49 8.077 -11.318 1.479 1.00 0.00 O ATOM 759 CB GLU A 49 5.182 -11.765 -0.590 1.00 0.00 C ATOM 760 CG GLU A 49 5.328 -12.382 -1.982 1.00 0.00 C ATOM 761 CD GLU A 49 4.564 -13.706 -2.038 1.00 0.00 C ATOM 762 OE1 GLU A 49 3.358 -13.665 -2.214 1.00 0.00 O ATOM 763 OE2 GLU A 49 5.200 -14.739 -1.904 1.00 0.00 O ATOM 0 H GLU A 49 5.272 -11.736 2.144 1.00 0.00 H new ATOM 0 HA GLU A 49 6.582 -13.312 -0.055 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.183 -11.958 -0.198 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.298 -10.683 -0.646 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.944 -11.696 -2.737 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.381 -12.548 -2.209 1.00 0.00 H new ATOM 770 N ASN A 50 7.712 -10.670 -0.588 1.00 0.00 N ATOM 771 CA ASN A 50 8.858 -9.718 -0.541 1.00 0.00 C ATOM 772 C ASN A 50 8.397 -8.386 0.056 1.00 0.00 C ATOM 773 O ASN A 50 9.063 -7.804 0.888 1.00 0.00 O ATOM 774 CB ASN A 50 9.384 -9.486 -1.957 1.00 0.00 C ATOM 775 CG ASN A 50 10.911 -9.581 -1.957 1.00 0.00 C ATOM 776 OD1 ASN A 50 11.500 -10.074 -1.016 1.00 0.00 O ATOM 777 ND2 ASN A 50 11.580 -9.123 -2.980 1.00 0.00 N ATOM 0 H ASN A 50 7.203 -10.694 -1.472 1.00 0.00 H new ATOM 0 HA ASN A 50 9.651 -10.137 0.079 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.963 -10.226 -2.638 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.070 -8.506 -2.317 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.598 -9.179 -2.990 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.084 -8.709 -3.770 1.00 0.00 H new ATOM 784 N GLY A 51 7.263 -7.895 -0.366 1.00 0.00 N ATOM 785 CA GLY A 51 6.766 -6.599 0.175 1.00 0.00 C ATOM 786 C GLY A 51 6.685 -5.574 -0.956 1.00 0.00 C ATOM 787 O GLY A 51 6.740 -4.380 -0.732 1.00 0.00 O ATOM 0 H GLY A 51 6.660 -8.335 -1.061 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.784 -6.734 0.629 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.433 -6.240 0.959 1.00 0.00 H new ATOM 791 N LEU A 52 6.556 -6.030 -2.171 1.00 0.00 N ATOM 792 CA LEU A 52 6.472 -5.082 -3.315 1.00 0.00 C ATOM 793 C LEU A 52 5.009 -4.882 -3.710 1.00 0.00 C ATOM 794 O LEU A 52 4.111 -5.452 -3.122 1.00 0.00 O ATOM 795 CB LEU A 52 7.236 -5.649 -4.513 1.00 0.00 C ATOM 796 CG LEU A 52 8.637 -6.076 -4.079 1.00 0.00 C ATOM 797 CD1 LEU A 52 9.442 -6.486 -5.313 1.00 0.00 C ATOM 798 CD2 LEU A 52 9.335 -4.907 -3.382 1.00 0.00 C ATOM 0 H LEU A 52 6.505 -7.018 -2.420 1.00 0.00 H new ATOM 0 HA LEU A 52 6.908 -4.128 -3.018 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.698 -6.501 -4.928 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.302 -4.899 -5.301 1.00 0.00 H new ATOM 0 HG LEU A 52 8.566 -6.917 -3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 52 10.443 -6.792 -5.009 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.944 -7.317 -5.812 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.513 -5.641 -5.998 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.335 -5.212 -3.073 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.410 -4.065 -4.070 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.759 -4.609 -2.506 1.00 0.00 H new ATOM 810 N CYS A 53 4.767 -4.077 -4.706 1.00 0.00 N ATOM 811 CA CYS A 53 3.364 -3.835 -5.149 1.00 0.00 C ATOM 812 C CYS A 53 2.973 -4.876 -6.208 1.00 0.00 C ATOM 813 O CYS A 53 3.665 -5.039 -7.192 1.00 0.00 O ATOM 814 CB CYS A 53 3.264 -2.442 -5.766 1.00 0.00 C ATOM 815 SG CYS A 53 1.526 -1.956 -5.892 1.00 0.00 S ATOM 0 H CYS A 53 5.481 -3.575 -5.234 1.00 0.00 H new ATOM 0 HA CYS A 53 2.696 -3.913 -4.291 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.810 -1.723 -5.155 1.00 0.00 H new ATOM 0 HB3 CYS A 53 3.726 -2.437 -6.753 1.00 0.00 H new ATOM 0 HG CYS A 53 1.430 -0.868 -6.597 1.00 0.00 H new ATOM 820 N PRO A 54 1.871 -5.546 -5.981 1.00 0.00 N ATOM 821 CA PRO A 54 1.365 -6.570 -6.909 1.00 0.00 C ATOM 822 C PRO A 54 0.614 -5.912 -8.071 1.00 0.00 C ATOM 823 O PRO A 54 -0.008 -6.577 -8.875 1.00 0.00 O ATOM 824 CB PRO A 54 0.401 -7.388 -6.048 1.00 0.00 C ATOM 825 CG PRO A 54 -0.029 -6.466 -4.880 1.00 0.00 C ATOM 826 CD PRO A 54 1.033 -5.355 -4.780 1.00 0.00 C ATOM 0 HA PRO A 54 2.157 -7.173 -7.353 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.464 -7.708 -6.629 1.00 0.00 H new ATOM 0 HB3 PRO A 54 0.884 -8.290 -5.673 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.016 -6.042 -5.064 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.092 -7.027 -3.947 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.575 -4.366 -4.767 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.620 -5.446 -3.866 1.00 0.00 H new ATOM 834 N ALA A 55 0.653 -4.610 -8.158 1.00 0.00 N ATOM 835 CA ALA A 55 -0.077 -3.919 -9.261 1.00 0.00 C ATOM 836 C ALA A 55 0.888 -3.048 -10.070 1.00 0.00 C ATOM 837 O ALA A 55 0.757 -2.922 -11.272 1.00 0.00 O ATOM 838 CB ALA A 55 -1.176 -3.038 -8.665 1.00 0.00 C ATOM 0 H ALA A 55 1.156 -3.997 -7.517 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.517 -4.667 -9.920 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.712 -2.531 -9.468 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.872 -3.657 -8.099 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.729 -2.297 -8.003 1.00 0.00 H new ATOM 844 N CYS A 56 1.844 -2.433 -9.430 1.00 0.00 N ATOM 845 CA CYS A 56 2.788 -1.565 -10.187 1.00 0.00 C ATOM 846 C CYS A 56 4.232 -2.045 -9.987 1.00 0.00 C ATOM 847 O CYS A 56 5.141 -1.587 -10.649 1.00 0.00 O ATOM 848 CB CYS A 56 2.635 -0.111 -9.711 1.00 0.00 C ATOM 849 SG CYS A 56 3.591 0.170 -8.195 1.00 0.00 S ATOM 0 H CYS A 56 2.011 -2.493 -8.426 1.00 0.00 H new ATOM 0 HA CYS A 56 2.555 -1.621 -11.250 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.973 0.570 -10.492 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.583 0.109 -9.530 1.00 0.00 H new ATOM 0 HG CYS A 56 3.694 1.448 -7.977 1.00 0.00 H new ATOM 854 N ARG A 57 4.453 -2.958 -9.082 1.00 0.00 N ATOM 855 CA ARG A 57 5.843 -3.452 -8.852 1.00 0.00 C ATOM 856 C ARG A 57 6.677 -2.340 -8.211 1.00 0.00 C ATOM 857 O ARG A 57 7.643 -1.868 -8.777 1.00 0.00 O ATOM 858 CB ARG A 57 6.469 -3.856 -10.188 1.00 0.00 C ATOM 859 CG ARG A 57 5.476 -4.709 -10.979 1.00 0.00 C ATOM 860 CD ARG A 57 6.239 -5.605 -11.953 1.00 0.00 C ATOM 861 NE ARG A 57 6.185 -5.010 -13.319 1.00 0.00 N ATOM 862 CZ ARG A 57 7.252 -4.996 -14.069 1.00 0.00 C ATOM 863 NH1 ARG A 57 7.873 -3.872 -14.300 1.00 0.00 N ATOM 864 NH2 ARG A 57 7.699 -6.107 -14.589 1.00 0.00 N ATOM 0 H ARG A 57 3.736 -3.383 -8.494 1.00 0.00 H new ATOM 0 HA ARG A 57 5.818 -4.317 -8.189 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.738 -2.967 -10.759 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.389 -4.415 -10.017 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.880 -5.317 -10.299 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.783 -4.068 -11.524 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.275 -5.711 -11.631 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.804 -6.604 -11.962 1.00 0.00 H new ATOM 0 HE ARG A 57 5.312 -4.613 -13.668 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.524 -3.004 -13.894 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.707 -3.862 -14.887 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.214 -6.986 -14.409 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.533 -6.096 -15.176 1.00 0.00 H new ATOM 878 N LYS A 58 6.311 -1.930 -7.031 1.00 0.00 N ATOM 879 CA LYS A 58 7.074 -0.857 -6.334 1.00 0.00 C ATOM 880 C LYS A 58 7.210 -1.241 -4.861 1.00 0.00 C ATOM 881 O LYS A 58 6.370 -1.934 -4.326 1.00 0.00 O ATOM 882 CB LYS A 58 6.319 0.469 -6.454 1.00 0.00 C ATOM 883 CG LYS A 58 6.552 1.067 -7.844 1.00 0.00 C ATOM 884 CD LYS A 58 7.831 1.907 -7.832 1.00 0.00 C ATOM 885 CE LYS A 58 7.552 3.254 -7.163 1.00 0.00 C ATOM 886 NZ LYS A 58 8.802 3.765 -6.532 1.00 0.00 N ATOM 0 H LYS A 58 5.510 -2.294 -6.515 1.00 0.00 H new ATOM 0 HA LYS A 58 8.061 -0.744 -6.783 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.253 0.309 -6.290 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.659 1.164 -5.686 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.634 0.271 -8.584 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.702 1.685 -8.133 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.620 1.379 -7.296 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.186 2.062 -8.851 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.186 3.969 -7.900 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.771 3.143 -6.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.612 4.681 -6.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.133 3.086 -5.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.534 3.886 -7.260 1.00 0.00 H new ATOM 900 N PRO A 59 8.267 -0.790 -4.246 1.00 0.00 N ATOM 901 CA PRO A 59 8.533 -1.091 -2.832 1.00 0.00 C ATOM 902 C PRO A 59 7.627 -0.253 -1.927 1.00 0.00 C ATOM 903 O PRO A 59 7.608 0.959 -1.999 1.00 0.00 O ATOM 904 CB PRO A 59 10.006 -0.712 -2.656 1.00 0.00 C ATOM 905 CG PRO A 59 10.336 0.290 -3.788 1.00 0.00 C ATOM 906 CD PRO A 59 9.284 0.065 -4.891 1.00 0.00 C ATOM 0 HA PRO A 59 8.337 -2.130 -2.566 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.178 -0.263 -1.678 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.644 -1.593 -2.719 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.300 1.316 -3.421 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.343 0.124 -4.172 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.855 1.007 -5.232 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.719 -0.421 -5.764 1.00 0.00 H new ATOM 914 N TYR A 60 6.869 -0.896 -1.083 1.00 0.00 N ATOM 915 CA TYR A 60 5.952 -0.147 -0.178 1.00 0.00 C ATOM 916 C TYR A 60 6.683 1.051 0.434 1.00 0.00 C ATOM 917 O TYR A 60 7.895 1.060 0.516 1.00 0.00 O ATOM 918 CB TYR A 60 5.471 -1.076 0.942 1.00 0.00 C ATOM 919 CG TYR A 60 4.608 -2.185 0.371 1.00 0.00 C ATOM 920 CD1 TYR A 60 4.420 -2.301 -1.014 1.00 0.00 C ATOM 921 CD2 TYR A 60 3.994 -3.099 1.236 1.00 0.00 C ATOM 922 CE1 TYR A 60 3.621 -3.326 -1.530 1.00 0.00 C ATOM 923 CE2 TYR A 60 3.194 -4.125 0.719 1.00 0.00 C ATOM 924 CZ TYR A 60 3.008 -4.239 -0.664 1.00 0.00 C ATOM 925 OH TYR A 60 2.220 -5.252 -1.174 1.00 0.00 O ATOM 0 H TYR A 60 6.845 -1.911 -0.981 1.00 0.00 H new ATOM 0 HA TYR A 60 5.097 0.211 -0.752 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.328 -1.504 1.462 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.903 -0.506 1.678 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.893 -1.598 -1.683 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.138 -3.012 2.303 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.477 -3.413 -2.597 1.00 0.00 H new ATOM 0 HE2 TYR A 60 2.720 -4.829 1.387 1.00 0.00 H new ATOM 0 HH TYR A 60 2.601 -5.569 -2.019 1.00 0.00 H new ATOM 935 N PRO A 61 5.916 2.030 0.849 1.00 0.00 N ATOM 936 CA PRO A 61 6.456 3.256 1.464 1.00 0.00 C ATOM 937 C PRO A 61 6.838 2.997 2.925 1.00 0.00 C ATOM 938 O PRO A 61 6.405 2.037 3.529 1.00 0.00 O ATOM 939 CB PRO A 61 5.292 4.246 1.374 1.00 0.00 C ATOM 940 CG PRO A 61 4.005 3.397 1.247 1.00 0.00 C ATOM 941 CD PRO A 61 4.440 2.009 0.741 1.00 0.00 C ATOM 0 HA PRO A 61 7.358 3.620 0.973 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.253 4.881 2.259 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.409 4.905 0.514 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.497 3.317 2.208 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.303 3.860 0.553 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.008 1.211 1.345 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.118 1.841 -0.287 1.00 0.00 H new