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 -125:sc= 0.0585 USER MOD Set 1.2: A 33 CYS SG : rot -144:sc= 0.0379 USER MOD Set 1.3: A 53 CYS SG : rot 54:sc= 1.25 USER MOD Set 1.4: A 56 CYS SG : rot -61:sc= -2.02! USER MOD Set 2.1: A 14 CYS SG : rot 161:sc= -0.394! USER MOD Set 2.2: A 17 CYS SG : rot -61:sc= 1.05 USER MOD Set 2.3: A 38 CYS SG : rot -136:sc= -0.0618 USER MOD Set 2.4: A 41 CYS SG : rot 146:sc= -0.72 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc=-0.000464 X(o=-0.00046,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0418 USER MOD Single : A 35 TYR OH : rot 150:sc= -1.85! USER MOD Single : A 36 GLN : amide:sc= -0.234 K(o=-0.23,f=-0.97) USER MOD Single : A 43 HIS : no HD1:sc= -0.826 K(o=-0.83,f=0.033) USER MOD Single : A 47 THR OG1 : rot -160:sc= 0.1 USER MOD Single : A 50 ASN : amide:sc= -0.329 X(o=-0.33,f=-0.25) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 59:sc= -4.41! USER MOD ----------------------------------------------------------------- ATOM 165 N VAL A 12 -15.219 0.849 -0.727 1.00 0.00 N ATOM 166 CA VAL A 12 -14.304 -0.003 -1.535 1.00 0.00 C ATOM 167 C VAL A 12 -14.035 -1.308 -0.785 1.00 0.00 C ATOM 168 O VAL A 12 -14.055 -1.352 0.429 1.00 0.00 O ATOM 169 CB VAL A 12 -12.987 0.738 -1.764 1.00 0.00 C ATOM 170 CG1 VAL A 12 -12.126 -0.044 -2.758 1.00 0.00 C ATOM 171 CG2 VAL A 12 -13.279 2.131 -2.328 1.00 0.00 C ATOM 0 HA VAL A 12 -14.765 -0.225 -2.498 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.454 0.832 -0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.187 0.485 -2.921 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.919 -1.036 -2.358 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -12.658 -0.138 -3.705 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.341 2.661 -2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.812 2.036 -3.274 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.892 2.689 -1.620 1.00 0.00 H new ATOM 181 N GLU A 13 -13.787 -2.374 -1.496 1.00 0.00 N ATOM 182 CA GLU A 13 -13.521 -3.674 -0.818 1.00 0.00 C ATOM 183 C GLU A 13 -12.162 -4.214 -1.266 1.00 0.00 C ATOM 184 O GLU A 13 -11.843 -4.225 -2.439 1.00 0.00 O ATOM 185 CB GLU A 13 -14.619 -4.673 -1.190 1.00 0.00 C ATOM 186 CG GLU A 13 -15.978 -3.971 -1.155 1.00 0.00 C ATOM 187 CD GLU A 13 -16.939 -4.759 -0.263 1.00 0.00 C ATOM 188 OE1 GLU A 13 -16.524 -5.161 0.812 1.00 0.00 O ATOM 189 OE2 GLU A 13 -18.074 -4.946 -0.670 1.00 0.00 O ATOM 0 H GLU A 13 -13.757 -2.401 -2.515 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.513 -3.529 0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.433 -5.081 -2.184 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.613 -5.512 -0.495 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.864 -2.955 -0.776 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -16.384 -3.892 -2.163 1.00 0.00 H new ATOM 196 N CYS A 14 -11.357 -4.659 -0.341 1.00 0.00 N ATOM 197 CA CYS A 14 -10.017 -5.196 -0.711 1.00 0.00 C ATOM 198 C CYS A 14 -10.148 -6.096 -1.946 1.00 0.00 C ATOM 199 O CYS A 14 -10.805 -7.114 -1.893 1.00 0.00 O ATOM 200 CB CYS A 14 -9.458 -6.020 0.455 1.00 0.00 C ATOM 201 SG CYS A 14 -7.749 -6.494 0.091 1.00 0.00 S ATOM 0 H CYS A 14 -11.570 -4.674 0.656 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.344 -4.367 -0.932 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.498 -5.440 1.377 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.068 -6.909 0.612 1.00 0.00 H new ATOM 0 HG CYS A 14 -7.148 -6.830 1.194 1.00 0.00 H new ATOM 206 N PRO A 15 -9.512 -5.701 -3.023 1.00 0.00 N ATOM 207 CA PRO A 15 -9.536 -6.469 -4.281 1.00 0.00 C ATOM 208 C PRO A 15 -8.525 -7.620 -4.209 1.00 0.00 C ATOM 209 O PRO A 15 -8.260 -8.291 -5.188 1.00 0.00 O ATOM 210 CB PRO A 15 -9.110 -5.443 -5.334 1.00 0.00 C ATOM 211 CG PRO A 15 -8.326 -4.343 -4.578 1.00 0.00 C ATOM 212 CD PRO A 15 -8.724 -4.453 -3.095 1.00 0.00 C ATOM 0 HA PRO A 15 -10.506 -6.917 -4.497 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -8.488 -5.907 -6.099 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -9.979 -5.023 -5.841 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.252 -4.480 -4.701 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.569 -3.356 -4.971 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.847 -4.498 -2.449 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.311 -3.592 -2.775 1.00 0.00 H new ATOM 220 N LEU A 16 -7.947 -7.840 -3.059 1.00 0.00 N ATOM 221 CA LEU A 16 -6.942 -8.930 -2.916 1.00 0.00 C ATOM 222 C LEU A 16 -7.545 -10.098 -2.132 1.00 0.00 C ATOM 223 O LEU A 16 -7.264 -11.249 -2.398 1.00 0.00 O ATOM 224 CB LEU A 16 -5.730 -8.383 -2.159 1.00 0.00 C ATOM 225 CG LEU A 16 -4.802 -7.617 -3.112 1.00 0.00 C ATOM 226 CD1 LEU A 16 -3.859 -8.601 -3.802 1.00 0.00 C ATOM 227 CD2 LEU A 16 -5.621 -6.863 -4.169 1.00 0.00 C ATOM 0 H LEU A 16 -8.130 -7.308 -2.208 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.642 -9.283 -3.903 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.062 -7.724 -1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.185 -9.203 -1.692 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.224 -6.894 -2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.199 -8.059 -4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.262 -9.120 -3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.442 -9.328 -4.368 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.947 -6.325 -4.836 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.212 -7.574 -4.746 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.286 -6.154 -3.676 1.00 0.00 H new ATOM 239 N CYS A 17 -8.373 -9.811 -1.166 1.00 0.00 N ATOM 240 CA CYS A 17 -8.994 -10.903 -0.364 1.00 0.00 C ATOM 241 C CYS A 17 -10.500 -10.660 -0.264 1.00 0.00 C ATOM 242 O CYS A 17 -11.217 -11.382 0.401 1.00 0.00 O ATOM 243 CB CYS A 17 -8.378 -10.918 1.039 1.00 0.00 C ATOM 244 SG CYS A 17 -8.976 -9.491 1.983 1.00 0.00 S ATOM 0 H CYS A 17 -8.647 -8.866 -0.897 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.813 -11.863 -0.846 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.642 -11.843 1.553 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.291 -10.891 0.970 1.00 0.00 H new ATOM 0 HG CYS A 17 -8.613 -8.394 1.388 1.00 0.00 H new ATOM 249 N MET A 18 -10.980 -9.641 -0.920 1.00 0.00 N ATOM 250 CA MET A 18 -12.433 -9.331 -0.873 1.00 0.00 C ATOM 251 C MET A 18 -12.859 -9.066 0.572 1.00 0.00 C ATOM 252 O MET A 18 -12.902 -9.962 1.391 1.00 0.00 O ATOM 253 CB MET A 18 -13.228 -10.512 -1.431 1.00 0.00 C ATOM 254 CG MET A 18 -13.452 -10.312 -2.930 1.00 0.00 C ATOM 255 SD MET A 18 -15.086 -10.946 -3.385 1.00 0.00 S ATOM 256 CE MET A 18 -15.200 -10.138 -5.000 1.00 0.00 C ATOM 0 H MET A 18 -10.422 -9.006 -1.491 1.00 0.00 H new ATOM 0 HA MET A 18 -12.630 -8.444 -1.475 1.00 0.00 H new ATOM 0 HB2 MET A 18 -12.689 -11.443 -1.254 1.00 0.00 H new ATOM 0 HB3 MET A 18 -14.186 -10.595 -0.917 1.00 0.00 H new ATOM 0 HG2 MET A 18 -13.377 -9.254 -3.182 1.00 0.00 H new ATOM 0 HG3 MET A 18 -12.678 -10.830 -3.497 1.00 0.00 H new ATOM 0 HE1 MET A 18 -16.149 -10.396 -5.470 1.00 0.00 H new ATOM 0 HE2 MET A 18 -15.141 -9.057 -4.871 1.00 0.00 H new ATOM 0 HE3 MET A 18 -14.379 -10.474 -5.633 1.00 0.00 H new ATOM 266 N GLU A 19 -13.179 -7.841 0.891 1.00 0.00 N ATOM 267 CA GLU A 19 -13.608 -7.522 2.283 1.00 0.00 C ATOM 268 C GLU A 19 -13.939 -6.030 2.389 1.00 0.00 C ATOM 269 O GLU A 19 -13.632 -5.263 1.498 1.00 0.00 O ATOM 270 CB GLU A 19 -12.481 -7.866 3.257 1.00 0.00 C ATOM 271 CG GLU A 19 -12.899 -9.059 4.118 1.00 0.00 C ATOM 272 CD GLU A 19 -12.229 -8.961 5.490 1.00 0.00 C ATOM 273 OE1 GLU A 19 -11.103 -8.496 5.545 1.00 0.00 O ATOM 274 OE2 GLU A 19 -12.855 -9.352 6.461 1.00 0.00 O ATOM 0 H GLU A 19 -13.162 -7.049 0.249 1.00 0.00 H new ATOM 0 HA GLU A 19 -14.493 -8.107 2.532 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.570 -8.102 2.707 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -12.258 -7.007 3.890 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.983 -9.076 4.232 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.615 -9.991 3.629 1.00 0.00 H new ATOM 281 N PRO A 20 -14.564 -5.668 3.481 1.00 0.00 N ATOM 282 CA PRO A 20 -14.961 -4.273 3.744 1.00 0.00 C ATOM 283 C PRO A 20 -13.760 -3.447 4.213 1.00 0.00 C ATOM 284 O PRO A 20 -13.082 -3.799 5.159 1.00 0.00 O ATOM 285 CB PRO A 20 -16.002 -4.403 4.860 1.00 0.00 C ATOM 286 CG PRO A 20 -15.730 -5.760 5.554 1.00 0.00 C ATOM 287 CD PRO A 20 -14.931 -6.615 4.554 1.00 0.00 C ATOM 0 HA PRO A 20 -15.347 -3.765 2.860 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -15.916 -3.580 5.569 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.013 -4.370 4.454 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.168 -5.617 6.477 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.665 -6.251 5.823 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.047 -7.051 5.020 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.529 -7.441 4.169 1.00 0.00 H new ATOM 295 N LEU A 21 -13.494 -2.348 3.561 1.00 0.00 N ATOM 296 CA LEU A 21 -12.343 -1.495 3.969 1.00 0.00 C ATOM 297 C LEU A 21 -12.839 -0.386 4.900 1.00 0.00 C ATOM 298 O LEU A 21 -13.927 0.128 4.740 1.00 0.00 O ATOM 299 CB LEU A 21 -11.708 -0.869 2.724 1.00 0.00 C ATOM 300 CG LEU A 21 -10.633 -1.806 2.173 1.00 0.00 C ATOM 301 CD1 LEU A 21 -10.082 -1.239 0.864 1.00 0.00 C ATOM 302 CD2 LEU A 21 -9.497 -1.928 3.190 1.00 0.00 C ATOM 0 H LEU A 21 -14.026 -2.004 2.762 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.603 -2.104 4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.470 -0.688 1.966 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.270 0.097 2.973 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.068 -2.789 1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.316 -1.908 0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.890 -1.148 0.138 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.647 -0.257 1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.729 -2.596 2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.064 -0.944 3.372 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.887 -2.331 4.125 1.00 0.00 H new ATOM 314 N GLU A 22 -12.050 -0.011 5.870 1.00 0.00 N ATOM 315 CA GLU A 22 -12.480 1.065 6.807 1.00 0.00 C ATOM 316 C GLU A 22 -12.223 2.433 6.169 1.00 0.00 C ATOM 317 O GLU A 22 -12.254 2.581 4.963 1.00 0.00 O ATOM 318 CB GLU A 22 -11.686 0.955 8.111 1.00 0.00 C ATOM 319 CG GLU A 22 -11.795 -0.470 8.657 1.00 0.00 C ATOM 320 CD GLU A 22 -12.793 -0.499 9.816 1.00 0.00 C ATOM 321 OE1 GLU A 22 -13.848 0.100 9.679 1.00 0.00 O ATOM 322 OE2 GLU A 22 -12.488 -1.119 10.821 1.00 0.00 O ATOM 0 H GLU A 22 -11.127 -0.403 6.054 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.544 0.956 7.018 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.641 1.209 7.935 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.068 1.666 8.843 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.118 -1.149 7.868 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.819 -0.817 8.996 1.00 0.00 H new ATOM 329 N ILE A 23 -11.971 3.435 6.968 1.00 0.00 N ATOM 330 CA ILE A 23 -11.712 4.792 6.407 1.00 0.00 C ATOM 331 C ILE A 23 -10.219 4.948 6.111 1.00 0.00 C ATOM 332 O ILE A 23 -9.784 4.831 4.983 1.00 0.00 O ATOM 333 CB ILE A 23 -12.140 5.852 7.423 1.00 0.00 C ATOM 334 CG1 ILE A 23 -13.644 5.733 7.679 1.00 0.00 C ATOM 335 CG2 ILE A 23 -11.826 7.244 6.871 1.00 0.00 C ATOM 336 CD1 ILE A 23 -14.398 5.872 6.356 1.00 0.00 C ATOM 0 H ILE A 23 -11.933 3.372 7.985 1.00 0.00 H new ATOM 0 HA ILE A 23 -12.280 4.917 5.485 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.598 5.701 8.357 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -13.870 4.772 8.140 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -13.967 6.505 8.377 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.131 8.000 7.595 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.755 7.329 6.687 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -12.368 7.396 5.938 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -15.469 5.787 6.537 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -14.180 6.844 5.914 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -14.082 5.084 5.673 1.00 0.00 H new ATOM 348 N ASP A 24 -9.433 5.216 7.118 1.00 0.00 N ATOM 349 CA ASP A 24 -7.969 5.383 6.898 1.00 0.00 C ATOM 350 C ASP A 24 -7.404 4.129 6.229 1.00 0.00 C ATOM 351 O ASP A 24 -6.357 4.161 5.612 1.00 0.00 O ATOM 352 CB ASP A 24 -7.274 5.600 8.244 1.00 0.00 C ATOM 353 CG ASP A 24 -5.788 5.877 8.013 1.00 0.00 C ATOM 354 OD1 ASP A 24 -5.120 5.007 7.477 1.00 0.00 O ATOM 355 OD2 ASP A 24 -5.342 6.953 8.377 1.00 0.00 O ATOM 0 H ASP A 24 -9.742 5.326 8.084 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.795 6.245 6.254 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.733 6.436 8.771 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.397 4.719 8.875 1.00 0.00 H new ATOM 360 N ASP A 25 -8.088 3.025 6.344 1.00 0.00 N ATOM 361 CA ASP A 25 -7.589 1.770 5.715 1.00 0.00 C ATOM 362 C ASP A 25 -7.659 1.898 4.191 1.00 0.00 C ATOM 363 O ASP A 25 -6.737 1.540 3.486 1.00 0.00 O ATOM 364 CB ASP A 25 -8.455 0.593 6.167 1.00 0.00 C ATOM 365 CG ASP A 25 -7.979 0.108 7.538 1.00 0.00 C ATOM 366 OD1 ASP A 25 -8.394 0.689 8.527 1.00 0.00 O ATOM 367 OD2 ASP A 25 -7.208 -0.837 7.575 1.00 0.00 O ATOM 0 H ASP A 25 -8.971 2.937 6.846 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.556 1.599 6.018 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.501 0.896 6.219 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.394 -0.218 5.441 1.00 0.00 H new ATOM 372 N ILE A 26 -8.748 2.402 3.679 1.00 0.00 N ATOM 373 CA ILE A 26 -8.876 2.549 2.202 1.00 0.00 C ATOM 374 C ILE A 26 -7.664 3.314 1.660 1.00 0.00 C ATOM 375 O ILE A 26 -6.793 2.748 1.031 1.00 0.00 O ATOM 376 CB ILE A 26 -10.157 3.319 1.877 1.00 0.00 C ATOM 377 CG1 ILE A 26 -11.369 2.417 2.133 1.00 0.00 C ATOM 378 CG2 ILE A 26 -10.143 3.743 0.407 1.00 0.00 C ATOM 379 CD1 ILE A 26 -12.655 3.224 1.948 1.00 0.00 C ATOM 0 H ILE A 26 -9.554 2.718 4.219 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.919 1.563 1.738 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.218 4.205 2.509 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.357 1.570 1.447 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.325 2.009 3.143 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.057 4.291 0.178 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.280 4.382 0.221 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.083 2.858 -0.226 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.517 2.582 2.130 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.667 4.056 2.652 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.699 3.610 0.930 1.00 0.00 H new ATOM 391 N ASN A 27 -7.601 4.595 1.902 1.00 0.00 N ATOM 392 CA ASN A 27 -6.442 5.393 1.404 1.00 0.00 C ATOM 393 C ASN A 27 -5.140 4.760 1.895 1.00 0.00 C ATOM 394 O ASN A 27 -4.078 5.002 1.355 1.00 0.00 O ATOM 395 CB ASN A 27 -6.545 6.824 1.934 1.00 0.00 C ATOM 396 CG ASN A 27 -7.042 7.748 0.820 1.00 0.00 C ATOM 397 OD1 ASN A 27 -6.441 8.766 0.546 1.00 0.00 O ATOM 398 ND2 ASN A 27 -8.123 7.432 0.161 1.00 0.00 N ATOM 0 H ASN A 27 -8.301 5.124 2.422 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.451 5.407 0.314 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -7.228 6.860 2.783 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.573 7.161 2.293 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.462 8.041 -0.584 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -8.629 6.576 0.391 1.00 0.00 H new ATOM 405 N PHE A 28 -5.209 3.946 2.913 1.00 0.00 N ATOM 406 CA PHE A 28 -3.973 3.298 3.432 1.00 0.00 C ATOM 407 C PHE A 28 -3.557 2.172 2.485 1.00 0.00 C ATOM 408 O PHE A 28 -4.273 1.209 2.297 1.00 0.00 O ATOM 409 CB PHE A 28 -4.243 2.723 4.824 1.00 0.00 C ATOM 410 CG PHE A 28 -3.087 1.841 5.234 1.00 0.00 C ATOM 411 CD1 PHE A 28 -1.991 2.391 5.911 1.00 0.00 C ATOM 412 CD2 PHE A 28 -3.110 0.473 4.936 1.00 0.00 C ATOM 413 CE1 PHE A 28 -0.919 1.573 6.289 1.00 0.00 C ATOM 414 CE2 PHE A 28 -2.038 -0.345 5.314 1.00 0.00 C ATOM 415 CZ PHE A 28 -0.943 0.206 5.990 1.00 0.00 C ATOM 0 H PHE A 28 -6.068 3.702 3.407 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.173 4.036 3.495 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.372 3.531 5.545 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.169 2.149 4.819 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.973 3.446 6.141 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.955 0.048 4.414 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.074 1.997 6.811 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -2.056 -1.400 5.084 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.116 -0.424 6.281 1.00 0.00 H new ATOM 425 N PHE A 29 -2.405 2.285 1.883 1.00 0.00 N ATOM 426 CA PHE A 29 -1.947 1.220 0.946 1.00 0.00 C ATOM 427 C PHE A 29 -0.448 0.985 1.130 1.00 0.00 C ATOM 428 O PHE A 29 0.262 1.853 1.598 1.00 0.00 O ATOM 429 CB PHE A 29 -2.209 1.658 -0.497 1.00 0.00 C ATOM 430 CG PHE A 29 -2.067 3.157 -0.604 1.00 0.00 C ATOM 431 CD1 PHE A 29 -0.832 3.766 -0.344 1.00 0.00 C ATOM 432 CD2 PHE A 29 -3.177 3.938 -0.951 1.00 0.00 C ATOM 433 CE1 PHE A 29 -0.708 5.158 -0.435 1.00 0.00 C ATOM 434 CE2 PHE A 29 -3.053 5.329 -1.039 1.00 0.00 C ATOM 435 CZ PHE A 29 -1.819 5.939 -0.782 1.00 0.00 C ATOM 0 H PHE A 29 -1.761 3.068 1.999 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.493 0.300 1.156 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.506 1.167 -1.170 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.210 1.354 -0.804 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.022 3.163 -0.074 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.128 3.467 -1.151 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.243 5.630 -0.238 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.909 5.932 -1.305 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.723 7.013 -0.851 1.00 0.00 H new ATOM 445 N PRO A 30 -0.010 -0.183 0.738 1.00 0.00 N ATOM 446 CA PRO A 30 1.406 -0.568 0.829 1.00 0.00 C ATOM 447 C PRO A 30 2.191 0.066 -0.323 1.00 0.00 C ATOM 448 O PRO A 30 3.366 -0.181 -0.495 1.00 0.00 O ATOM 449 CB PRO A 30 1.373 -2.093 0.703 1.00 0.00 C ATOM 450 CG PRO A 30 0.042 -2.445 -0.004 1.00 0.00 C ATOM 451 CD PRO A 30 -0.887 -1.228 0.171 1.00 0.00 C ATOM 0 HA PRO A 30 1.890 -0.239 1.749 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.226 -2.454 0.127 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.428 -2.565 1.684 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.209 -2.656 -1.060 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.404 -3.338 0.433 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.317 -0.915 -0.780 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.719 -1.455 0.837 1.00 0.00 H new ATOM 459 N CYS A 31 1.546 0.886 -1.110 1.00 0.00 N ATOM 460 CA CYS A 31 2.249 1.543 -2.246 1.00 0.00 C ATOM 461 C CYS A 31 1.517 2.837 -2.614 1.00 0.00 C ATOM 462 O CYS A 31 0.312 2.934 -2.491 1.00 0.00 O ATOM 463 CB CYS A 31 2.262 0.605 -3.452 1.00 0.00 C ATOM 464 SG CYS A 31 3.322 1.306 -4.737 1.00 0.00 S ATOM 0 H CYS A 31 0.560 1.128 -1.013 1.00 0.00 H new ATOM 0 HA CYS A 31 3.274 1.772 -1.956 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.628 -0.379 -3.159 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.250 0.469 -3.833 1.00 0.00 H new ATOM 0 HG CYS A 31 2.652 1.403 -5.847 1.00 0.00 H new ATOM 469 N THR A 32 2.235 3.834 -3.050 1.00 0.00 N ATOM 470 CA THR A 32 1.580 5.125 -3.411 1.00 0.00 C ATOM 471 C THR A 32 1.188 5.131 -4.892 1.00 0.00 C ATOM 472 O THR A 32 1.157 6.167 -5.525 1.00 0.00 O ATOM 473 CB THR A 32 2.551 6.278 -3.141 1.00 0.00 C ATOM 474 OG1 THR A 32 3.684 5.785 -2.442 1.00 0.00 O ATOM 475 CG2 THR A 32 1.854 7.348 -2.299 1.00 0.00 C ATOM 0 H THR A 32 3.247 3.812 -3.172 1.00 0.00 H new ATOM 0 HA THR A 32 0.680 5.244 -2.807 1.00 0.00 H new ATOM 0 HB THR A 32 2.869 6.715 -4.087 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.308 6.521 -2.270 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.546 8.168 -2.107 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.984 7.725 -2.837 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.534 6.914 -1.352 1.00 0.00 H new ATOM 483 N CYS A 33 0.881 3.993 -5.456 1.00 0.00 N ATOM 484 CA CYS A 33 0.488 3.970 -6.895 1.00 0.00 C ATOM 485 C CYS A 33 -1.025 3.761 -7.010 1.00 0.00 C ATOM 486 O CYS A 33 -1.585 3.783 -8.088 1.00 0.00 O ATOM 487 CB CYS A 33 1.228 2.844 -7.624 1.00 0.00 C ATOM 488 SG CYS A 33 0.528 1.237 -7.165 1.00 0.00 S ATOM 0 H CYS A 33 0.885 3.087 -4.988 1.00 0.00 H new ATOM 0 HA CYS A 33 0.756 4.921 -7.355 1.00 0.00 H new ATOM 0 HB2 CYS A 33 1.153 2.987 -8.702 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.288 2.873 -7.372 1.00 0.00 H new ATOM 0 HG CYS A 33 1.478 0.352 -7.102 1.00 0.00 H new ATOM 493 N GLY A 34 -1.692 3.564 -5.904 1.00 0.00 N ATOM 494 CA GLY A 34 -3.168 3.360 -5.948 1.00 0.00 C ATOM 495 C GLY A 34 -3.506 1.949 -5.468 1.00 0.00 C ATOM 496 O GLY A 34 -4.331 1.768 -4.597 1.00 0.00 O ATOM 0 H GLY A 34 -1.278 3.536 -4.972 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.666 4.098 -5.319 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.535 3.507 -6.964 1.00 0.00 H new ATOM 500 N TYR A 35 -2.874 0.949 -6.024 1.00 0.00 N ATOM 501 CA TYR A 35 -3.158 -0.451 -5.591 1.00 0.00 C ATOM 502 C TYR A 35 -3.240 -0.485 -4.060 1.00 0.00 C ATOM 503 O TYR A 35 -2.243 -0.588 -3.375 1.00 0.00 O ATOM 504 CB TYR A 35 -2.032 -1.368 -6.100 1.00 0.00 C ATOM 505 CG TYR A 35 -1.843 -2.562 -5.187 1.00 0.00 C ATOM 506 CD1 TYR A 35 -2.785 -3.601 -5.174 1.00 0.00 C ATOM 507 CD2 TYR A 35 -0.715 -2.632 -4.361 1.00 0.00 C ATOM 508 CE1 TYR A 35 -2.595 -4.706 -4.335 1.00 0.00 C ATOM 509 CE2 TYR A 35 -0.527 -3.736 -3.522 1.00 0.00 C ATOM 510 CZ TYR A 35 -1.466 -4.773 -3.509 1.00 0.00 C ATOM 511 OH TYR A 35 -1.280 -5.863 -2.683 1.00 0.00 O ATOM 0 H TYR A 35 -2.173 1.041 -6.759 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.105 -0.800 -6.003 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.266 -1.711 -7.108 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.101 -0.804 -6.163 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.656 -3.549 -5.810 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.011 -1.833 -4.371 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.319 -5.507 -4.325 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.343 -3.788 -2.884 1.00 0.00 H new ATOM 0 HH TYR A 35 -0.321 -6.017 -2.555 1.00 0.00 H new ATOM 521 N GLN A 36 -4.426 -0.386 -3.526 1.00 0.00 N ATOM 522 CA GLN A 36 -4.580 -0.397 -2.045 1.00 0.00 C ATOM 523 C GLN A 36 -5.183 -1.728 -1.598 1.00 0.00 C ATOM 524 O GLN A 36 -6.055 -2.276 -2.243 1.00 0.00 O ATOM 525 CB GLN A 36 -5.502 0.749 -1.611 1.00 0.00 C ATOM 526 CG GLN A 36 -6.525 1.038 -2.712 1.00 0.00 C ATOM 527 CD GLN A 36 -7.746 1.730 -2.104 1.00 0.00 C ATOM 528 OE1 GLN A 36 -8.709 1.083 -1.746 1.00 0.00 O ATOM 529 NE2 GLN A 36 -7.746 3.029 -1.971 1.00 0.00 N ATOM 0 H GLN A 36 -5.295 -0.298 -4.052 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.600 -0.269 -1.585 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.015 0.485 -0.686 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.914 1.643 -1.405 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.080 1.671 -3.480 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.824 0.109 -3.198 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.937 3.572 -2.272 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.555 3.500 -1.566 1.00 0.00 H new ATOM 538 N ILE A 37 -4.724 -2.248 -0.495 1.00 0.00 N ATOM 539 CA ILE A 37 -5.267 -3.540 0.002 1.00 0.00 C ATOM 540 C ILE A 37 -5.706 -3.375 1.456 1.00 0.00 C ATOM 541 O ILE A 37 -5.644 -2.298 2.016 1.00 0.00 O ATOM 542 CB ILE A 37 -4.184 -4.615 -0.087 1.00 0.00 C ATOM 543 CG1 ILE A 37 -2.944 -4.155 0.683 1.00 0.00 C ATOM 544 CG2 ILE A 37 -3.815 -4.841 -1.554 1.00 0.00 C ATOM 545 CD1 ILE A 37 -1.995 -5.339 0.877 1.00 0.00 C ATOM 0 H ILE A 37 -3.995 -1.832 0.084 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.122 -3.837 -0.606 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.556 -5.544 0.345 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.440 -3.357 0.138 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.235 -3.746 1.651 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -3.043 -5.607 -1.621 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.697 -5.166 -2.105 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.442 -3.911 -1.983 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.112 -5.011 1.425 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.502 -6.123 1.440 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.694 -5.728 -0.096 1.00 0.00 H new ATOM 557 N CYS A 38 -6.148 -4.433 2.074 1.00 0.00 N ATOM 558 CA CYS A 38 -6.587 -4.336 3.490 1.00 0.00 C ATOM 559 C CYS A 38 -5.391 -4.621 4.403 1.00 0.00 C ATOM 560 O CYS A 38 -4.390 -5.159 3.975 1.00 0.00 O ATOM 561 CB CYS A 38 -7.709 -5.352 3.743 1.00 0.00 C ATOM 562 SG CYS A 38 -7.023 -7.025 3.851 1.00 0.00 S ATOM 0 H CYS A 38 -6.224 -5.361 1.658 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.965 -3.336 3.700 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.232 -5.105 4.667 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.443 -5.303 2.938 1.00 0.00 H new ATOM 0 HG CYS A 38 -7.766 -7.844 3.168 1.00 0.00 H new ATOM 567 N ARG A 39 -5.478 -4.263 5.653 1.00 0.00 N ATOM 568 CA ARG A 39 -4.335 -4.519 6.574 1.00 0.00 C ATOM 569 C ARG A 39 -4.123 -6.029 6.707 1.00 0.00 C ATOM 570 O ARG A 39 -3.077 -6.488 7.123 1.00 0.00 O ATOM 571 CB ARG A 39 -4.638 -3.920 7.948 1.00 0.00 C ATOM 572 CG ARG A 39 -3.504 -2.974 8.349 1.00 0.00 C ATOM 573 CD ARG A 39 -4.078 -1.789 9.127 1.00 0.00 C ATOM 574 NE ARG A 39 -2.997 -1.156 9.934 1.00 0.00 N ATOM 575 CZ ARG A 39 -3.276 -0.164 10.736 1.00 0.00 C ATOM 576 NH1 ARG A 39 -4.520 0.148 10.981 1.00 0.00 N ATOM 577 NH2 ARG A 39 -2.311 0.516 11.293 1.00 0.00 N ATOM 0 H ARG A 39 -6.286 -3.807 6.076 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.433 -4.057 6.173 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.585 -3.380 7.921 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.744 -4.713 8.688 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.773 -3.504 8.960 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.980 -2.620 7.461 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.506 -1.061 8.438 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.885 -2.124 9.779 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.039 -1.498 9.860 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.274 -0.383 10.546 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.738 0.923 11.608 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.339 0.272 11.102 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.529 1.291 11.919 1.00 0.00 H new ATOM 591 N PHE A 40 -5.113 -6.804 6.354 1.00 0.00 N ATOM 592 CA PHE A 40 -4.980 -8.286 6.455 1.00 0.00 C ATOM 593 C PHE A 40 -4.156 -8.814 5.276 1.00 0.00 C ATOM 594 O PHE A 40 -3.574 -9.878 5.343 1.00 0.00 O ATOM 595 CB PHE A 40 -6.373 -8.920 6.423 1.00 0.00 C ATOM 596 CG PHE A 40 -6.501 -9.930 7.538 1.00 0.00 C ATOM 597 CD1 PHE A 40 -5.387 -10.679 7.938 1.00 0.00 C ATOM 598 CD2 PHE A 40 -7.735 -10.119 8.172 1.00 0.00 C ATOM 599 CE1 PHE A 40 -5.509 -11.616 8.972 1.00 0.00 C ATOM 600 CE2 PHE A 40 -7.857 -11.056 9.205 1.00 0.00 C ATOM 601 CZ PHE A 40 -6.743 -11.805 9.605 1.00 0.00 C ATOM 0 H PHE A 40 -6.010 -6.474 5.999 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.478 -8.542 7.388 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -7.136 -8.149 6.529 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.540 -9.404 5.461 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.435 -10.534 7.450 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.594 -9.541 7.864 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.650 -12.193 9.281 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -8.809 -11.201 9.693 1.00 0.00 H new ATOM 0 HZ PHE A 40 -6.836 -12.528 10.402 1.00 0.00 H new ATOM 611 N CYS A 41 -4.104 -8.081 4.197 1.00 0.00 N ATOM 612 CA CYS A 41 -3.321 -8.543 3.017 1.00 0.00 C ATOM 613 C CYS A 41 -1.888 -8.015 3.125 1.00 0.00 C ATOM 614 O CYS A 41 -0.954 -8.619 2.635 1.00 0.00 O ATOM 615 CB CYS A 41 -3.973 -8.020 1.730 1.00 0.00 C ATOM 616 SG CYS A 41 -5.315 -9.133 1.237 1.00 0.00 S ATOM 0 H CYS A 41 -4.571 -7.181 4.082 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.305 -9.633 2.991 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -4.361 -7.014 1.889 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -3.231 -7.954 0.935 1.00 0.00 H new ATOM 0 HG CYS A 41 -6.273 -8.443 0.692 1.00 0.00 H new ATOM 621 N TRP A 42 -1.708 -6.893 3.768 1.00 0.00 N ATOM 622 CA TRP A 42 -0.336 -6.327 3.913 1.00 0.00 C ATOM 623 C TRP A 42 0.432 -7.132 4.963 1.00 0.00 C ATOM 624 O TRP A 42 1.647 -7.122 5.004 1.00 0.00 O ATOM 625 CB TRP A 42 -0.433 -4.864 4.357 1.00 0.00 C ATOM 626 CG TRP A 42 0.911 -4.380 4.808 1.00 0.00 C ATOM 627 CD1 TRP A 42 1.892 -3.939 3.989 1.00 0.00 C ATOM 628 CD2 TRP A 42 1.434 -4.283 6.164 1.00 0.00 C ATOM 629 NE1 TRP A 42 2.986 -3.576 4.755 1.00 0.00 N ATOM 630 CE2 TRP A 42 2.752 -3.769 6.102 1.00 0.00 C ATOM 631 CE3 TRP A 42 0.900 -4.586 7.430 1.00 0.00 C ATOM 632 CZ2 TRP A 42 3.512 -3.565 7.255 1.00 0.00 C ATOM 633 CZ3 TRP A 42 1.663 -4.382 8.591 1.00 0.00 C ATOM 634 CH2 TRP A 42 2.965 -3.872 8.504 1.00 0.00 C ATOM 0 H TRP A 42 -2.452 -6.344 4.199 1.00 0.00 H new ATOM 0 HA TRP A 42 0.187 -6.380 2.958 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.794 -4.248 3.534 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.155 -4.768 5.168 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.832 -3.880 2.912 1.00 0.00 H new ATOM 0 HE1 TRP A 42 3.858 -3.211 4.372 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -0.103 -4.978 7.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.516 -3.173 7.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.243 -4.620 9.557 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.545 -3.716 9.401 1.00 0.00 H new ATOM 645 N HIS A 43 -0.268 -7.831 5.814 1.00 0.00 N ATOM 646 CA HIS A 43 0.417 -8.636 6.863 1.00 0.00 C ATOM 647 C HIS A 43 0.961 -9.926 6.244 1.00 0.00 C ATOM 648 O HIS A 43 1.559 -10.742 6.917 1.00 0.00 O ATOM 649 CB HIS A 43 -0.581 -8.985 7.968 1.00 0.00 C ATOM 650 CG HIS A 43 -0.447 -7.999 9.095 1.00 0.00 C ATOM 651 ND1 HIS A 43 0.281 -8.281 10.242 1.00 0.00 N ATOM 652 CD2 HIS A 43 -0.940 -6.730 9.267 1.00 0.00 C ATOM 653 CE1 HIS A 43 0.206 -7.205 11.044 1.00 0.00 C ATOM 654 NE2 HIS A 43 -0.526 -6.229 10.498 1.00 0.00 N ATOM 0 H HIS A 43 -1.287 -7.879 5.828 1.00 0.00 H new ATOM 0 HA HIS A 43 1.241 -8.059 7.283 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.597 -8.967 7.574 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.398 -9.996 8.332 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -1.556 -6.200 8.555 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.680 -7.137 12.012 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -0.736 -5.314 10.897 1.00 0.00 H new ATOM 662 N ARG A 44 0.755 -10.122 4.970 1.00 0.00 N ATOM 663 CA ARG A 44 1.259 -11.365 4.321 1.00 0.00 C ATOM 664 C ARG A 44 2.172 -11.005 3.146 1.00 0.00 C ATOM 665 O ARG A 44 2.940 -11.819 2.675 1.00 0.00 O ATOM 666 CB ARG A 44 0.075 -12.188 3.812 1.00 0.00 C ATOM 667 CG ARG A 44 0.016 -13.516 4.567 1.00 0.00 C ATOM 668 CD ARG A 44 -0.898 -14.487 3.820 1.00 0.00 C ATOM 669 NE ARG A 44 -2.237 -13.861 3.628 1.00 0.00 N ATOM 670 CZ ARG A 44 -3.204 -14.122 4.465 1.00 0.00 C ATOM 671 NH1 ARG A 44 -3.480 -13.282 5.426 1.00 0.00 N ATOM 672 NH2 ARG A 44 -3.894 -15.222 4.341 1.00 0.00 N ATOM 0 H ARG A 44 0.261 -9.477 4.353 1.00 0.00 H new ATOM 0 HA ARG A 44 1.824 -11.947 5.049 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.854 -11.635 3.954 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.178 -12.370 2.742 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.016 -13.939 4.659 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.356 -13.355 5.579 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.463 -14.743 2.854 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.996 -15.416 4.382 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.397 -13.229 2.843 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.940 -12.422 5.522 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.236 -13.486 6.080 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.678 -15.878 3.590 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.650 -15.426 4.995 1.00 0.00 H new ATOM 686 N ILE A 45 2.094 -9.794 2.663 1.00 0.00 N ATOM 687 CA ILE A 45 2.960 -9.396 1.517 1.00 0.00 C ATOM 688 C ILE A 45 4.371 -9.091 2.019 1.00 0.00 C ATOM 689 O ILE A 45 5.348 -9.592 1.499 1.00 0.00 O ATOM 690 CB ILE A 45 2.383 -8.149 0.846 1.00 0.00 C ATOM 691 CG1 ILE A 45 0.993 -8.468 0.293 1.00 0.00 C ATOM 692 CG2 ILE A 45 3.300 -7.717 -0.301 1.00 0.00 C ATOM 693 CD1 ILE A 45 0.286 -7.167 -0.091 1.00 0.00 C ATOM 0 H ILE A 45 1.470 -9.066 3.011 1.00 0.00 H new ATOM 0 HA ILE A 45 2.998 -10.214 0.797 1.00 0.00 H new ATOM 0 HB ILE A 45 2.309 -7.343 1.576 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.077 -9.119 -0.577 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.408 -9.006 1.039 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.889 -6.828 -0.780 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.292 -7.493 0.091 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.372 -8.522 -1.032 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.705 -7.394 -0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.189 -6.532 0.789 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.869 -6.647 -0.851 1.00 0.00 H new ATOM 705 N ARG A 46 4.490 -8.270 3.027 1.00 0.00 N ATOM 706 CA ARG A 46 5.841 -7.933 3.555 1.00 0.00 C ATOM 707 C ARG A 46 6.466 -9.176 4.193 1.00 0.00 C ATOM 708 O ARG A 46 7.625 -9.182 4.554 1.00 0.00 O ATOM 709 CB ARG A 46 5.717 -6.829 4.605 1.00 0.00 C ATOM 710 CG ARG A 46 6.964 -5.943 4.563 1.00 0.00 C ATOM 711 CD ARG A 46 6.729 -4.779 3.600 1.00 0.00 C ATOM 712 NE ARG A 46 7.354 -3.544 4.151 1.00 0.00 N ATOM 713 CZ ARG A 46 8.462 -3.088 3.633 1.00 0.00 C ATOM 714 NH1 ARG A 46 9.276 -3.900 3.015 1.00 0.00 N ATOM 715 NH2 ARG A 46 8.754 -1.820 3.732 1.00 0.00 N ATOM 0 H ARG A 46 3.711 -7.819 3.506 1.00 0.00 H new ATOM 0 HA ARG A 46 6.474 -7.588 2.737 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.826 -6.230 4.415 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.602 -7.267 5.597 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.188 -5.564 5.560 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.827 -6.526 4.242 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.154 -5.010 2.623 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.660 -4.624 3.454 1.00 0.00 H new ATOM 0 HE ARG A 46 6.917 -3.055 4.932 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.046 -4.891 2.937 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.142 -3.544 2.610 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.117 -1.186 4.214 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.620 -1.463 3.328 1.00 0.00 H new ATOM 729 N THR A 47 5.707 -10.228 4.338 1.00 0.00 N ATOM 730 CA THR A 47 6.263 -11.465 4.957 1.00 0.00 C ATOM 731 C THR A 47 6.347 -12.574 3.906 1.00 0.00 C ATOM 732 O THR A 47 7.417 -12.951 3.471 1.00 0.00 O ATOM 733 CB THR A 47 5.353 -11.913 6.104 1.00 0.00 C ATOM 734 OG1 THR A 47 4.035 -11.432 5.874 1.00 0.00 O ATOM 735 CG2 THR A 47 5.881 -11.351 7.424 1.00 0.00 C ATOM 0 H THR A 47 4.729 -10.285 4.055 1.00 0.00 H new ATOM 0 HA THR A 47 7.261 -11.260 5.343 1.00 0.00 H new ATOM 0 HB THR A 47 5.339 -13.002 6.156 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.533 -11.437 6.716 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.233 -11.670 8.240 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.892 -11.720 7.598 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.895 -10.262 7.376 1.00 0.00 H new ATOM 743 N ASP A 48 5.227 -13.101 3.496 1.00 0.00 N ATOM 744 CA ASP A 48 5.241 -14.188 2.477 1.00 0.00 C ATOM 745 C ASP A 48 5.783 -13.645 1.150 1.00 0.00 C ATOM 746 O ASP A 48 6.217 -14.392 0.296 1.00 0.00 O ATOM 747 CB ASP A 48 3.819 -14.709 2.270 1.00 0.00 C ATOM 748 CG ASP A 48 3.619 -15.986 3.088 1.00 0.00 C ATOM 749 OD1 ASP A 48 4.601 -16.502 3.596 1.00 0.00 O ATOM 750 OD2 ASP A 48 2.487 -16.428 3.193 1.00 0.00 O ATOM 0 H ASP A 48 4.301 -12.826 3.823 1.00 0.00 H new ATOM 0 HA ASP A 48 5.881 -14.999 2.823 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.095 -13.953 2.574 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.644 -14.910 1.213 1.00 0.00 H new ATOM 755 N GLU A 49 5.758 -12.353 0.969 1.00 0.00 N ATOM 756 CA GLU A 49 6.269 -11.771 -0.306 1.00 0.00 C ATOM 757 C GLU A 49 7.634 -11.121 -0.061 1.00 0.00 C ATOM 758 O GLU A 49 8.400 -11.557 0.775 1.00 0.00 O ATOM 759 CB GLU A 49 5.283 -10.717 -0.816 1.00 0.00 C ATOM 760 CG GLU A 49 5.139 -10.845 -2.334 1.00 0.00 C ATOM 761 CD GLU A 49 3.668 -11.071 -2.690 1.00 0.00 C ATOM 762 OE1 GLU A 49 3.009 -11.801 -1.969 1.00 0.00 O ATOM 763 OE2 GLU A 49 3.225 -10.508 -3.679 1.00 0.00 O ATOM 0 H GLU A 49 5.407 -11.676 1.646 1.00 0.00 H new ATOM 0 HA GLU A 49 6.373 -12.560 -1.050 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.313 -10.848 -0.336 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.635 -9.719 -0.556 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.508 -9.943 -2.822 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.744 -11.675 -2.699 1.00 0.00 H new ATOM 770 N ASN A 50 7.946 -10.082 -0.788 1.00 0.00 N ATOM 771 CA ASN A 50 9.259 -9.405 -0.599 1.00 0.00 C ATOM 772 C ASN A 50 9.031 -8.004 -0.028 1.00 0.00 C ATOM 773 O ASN A 50 9.948 -7.350 0.425 1.00 0.00 O ATOM 774 CB ASN A 50 9.973 -9.295 -1.949 1.00 0.00 C ATOM 775 CG ASN A 50 11.324 -8.605 -1.762 1.00 0.00 C ATOM 776 OD1 ASN A 50 12.118 -9.010 -0.935 1.00 0.00 O ATOM 777 ND2 ASN A 50 11.623 -7.570 -2.500 1.00 0.00 N ATOM 0 H ASN A 50 7.347 -9.673 -1.505 1.00 0.00 H new ATOM 0 HA ASN A 50 9.872 -9.984 0.091 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.117 -10.287 -2.377 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.359 -8.730 -2.651 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.522 -7.102 -2.382 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.958 -7.229 -3.194 1.00 0.00 H new ATOM 784 N GLY A 51 7.812 -7.540 -0.049 1.00 0.00 N ATOM 785 CA GLY A 51 7.522 -6.181 0.490 1.00 0.00 C ATOM 786 C GLY A 51 7.416 -5.188 -0.668 1.00 0.00 C ATOM 787 O GLY A 51 7.383 -3.987 -0.471 1.00 0.00 O ATOM 0 H GLY A 51 7.004 -8.043 -0.416 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.592 -6.194 1.059 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.311 -5.874 1.176 1.00 0.00 H new ATOM 791 N LEU A 52 7.363 -5.680 -1.876 1.00 0.00 N ATOM 792 CA LEU A 52 7.259 -4.766 -3.047 1.00 0.00 C ATOM 793 C LEU A 52 5.809 -4.725 -3.534 1.00 0.00 C ATOM 794 O LEU A 52 4.990 -5.539 -3.156 1.00 0.00 O ATOM 795 CB LEU A 52 8.160 -5.274 -4.176 1.00 0.00 C ATOM 796 CG LEU A 52 9.617 -4.922 -3.869 1.00 0.00 C ATOM 797 CD1 LEU A 52 10.494 -5.292 -5.067 1.00 0.00 C ATOM 798 CD2 LEU A 52 9.736 -3.420 -3.600 1.00 0.00 C ATOM 0 H LEU A 52 7.387 -6.674 -2.102 1.00 0.00 H new ATOM 0 HA LEU A 52 7.574 -3.765 -2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.051 -6.353 -4.284 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.859 -4.827 -5.124 1.00 0.00 H new ATOM 0 HG LEU A 52 9.945 -5.477 -2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.532 -5.041 -4.849 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.412 -6.361 -5.262 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.164 -4.737 -5.945 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.774 -3.171 -3.381 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.407 -2.866 -4.479 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.111 -3.152 -2.748 1.00 0.00 H new ATOM 810 N CYS A 53 5.493 -3.780 -4.372 1.00 0.00 N ATOM 811 CA CYS A 53 4.103 -3.666 -4.897 1.00 0.00 C ATOM 812 C CYS A 53 3.960 -4.557 -6.142 1.00 0.00 C ATOM 813 O CYS A 53 4.707 -4.411 -7.088 1.00 0.00 O ATOM 814 CB CYS A 53 3.848 -2.203 -5.268 1.00 0.00 C ATOM 815 SG CYS A 53 2.190 -1.999 -5.960 1.00 0.00 S ATOM 0 H CYS A 53 6.143 -3.075 -4.720 1.00 0.00 H new ATOM 0 HA CYS A 53 3.381 -3.988 -4.146 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.959 -1.574 -4.385 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.593 -1.871 -5.991 1.00 0.00 H new ATOM 0 HG CYS A 53 1.313 -2.493 -5.137 1.00 0.00 H new ATOM 820 N PRO A 54 3.010 -5.460 -6.105 1.00 0.00 N ATOM 821 CA PRO A 54 2.762 -6.392 -7.222 1.00 0.00 C ATOM 822 C PRO A 54 2.002 -5.688 -8.348 1.00 0.00 C ATOM 823 O PRO A 54 1.825 -6.226 -9.424 1.00 0.00 O ATOM 824 CB PRO A 54 1.904 -7.490 -6.589 1.00 0.00 C ATOM 825 CG PRO A 54 1.242 -6.859 -5.340 1.00 0.00 C ATOM 826 CD PRO A 54 2.099 -5.638 -4.957 1.00 0.00 C ATOM 0 HA PRO A 54 3.678 -6.778 -7.670 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.150 -7.847 -7.290 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.514 -8.350 -6.313 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.216 -6.560 -5.555 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.200 -7.576 -4.520 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.483 -4.753 -4.797 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.651 -5.813 -4.034 1.00 0.00 H new ATOM 834 N ALA A 55 1.547 -4.493 -8.106 1.00 0.00 N ATOM 835 CA ALA A 55 0.791 -3.755 -9.155 1.00 0.00 C ATOM 836 C ALA A 55 1.753 -2.901 -9.987 1.00 0.00 C ATOM 837 O ALA A 55 1.649 -2.836 -11.196 1.00 0.00 O ATOM 838 CB ALA A 55 -0.250 -2.853 -8.489 1.00 0.00 C ATOM 0 H ALA A 55 1.666 -3.993 -7.225 1.00 0.00 H new ATOM 0 HA ALA A 55 0.292 -4.469 -9.810 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.805 -2.311 -9.255 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.939 -3.463 -7.904 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.251 -2.142 -7.833 1.00 0.00 H new ATOM 844 N CYS A 56 2.684 -2.237 -9.354 1.00 0.00 N ATOM 845 CA CYS A 56 3.636 -1.384 -10.122 1.00 0.00 C ATOM 846 C CYS A 56 5.086 -1.786 -9.804 1.00 0.00 C ATOM 847 O CYS A 56 5.978 -1.570 -10.599 1.00 0.00 O ATOM 848 CB CYS A 56 3.390 0.088 -9.767 1.00 0.00 C ATOM 849 SG CYS A 56 4.135 0.472 -8.165 1.00 0.00 S ATOM 0 H CYS A 56 2.826 -2.248 -8.344 1.00 0.00 H new ATOM 0 HA CYS A 56 3.474 -1.525 -11.191 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.814 0.732 -10.538 1.00 0.00 H new ATOM 0 HB3 CYS A 56 2.319 0.289 -9.737 1.00 0.00 H new ATOM 0 HG CYS A 56 3.585 -0.262 -7.244 1.00 0.00 H new ATOM 854 N ARG A 57 5.313 -2.384 -8.655 1.00 0.00 N ATOM 855 CA ARG A 57 6.691 -2.842 -8.265 1.00 0.00 C ATOM 856 C ARG A 57 7.444 -1.764 -7.473 1.00 0.00 C ATOM 857 O ARG A 57 8.659 -1.769 -7.419 1.00 0.00 O ATOM 858 CB ARG A 57 7.502 -3.215 -9.509 1.00 0.00 C ATOM 859 CG ARG A 57 8.455 -4.362 -9.166 1.00 0.00 C ATOM 860 CD ARG A 57 8.013 -5.630 -9.897 1.00 0.00 C ATOM 861 NE ARG A 57 8.946 -6.744 -9.565 1.00 0.00 N ATOM 862 CZ ARG A 57 9.591 -7.360 -10.517 1.00 0.00 C ATOM 863 NH1 ARG A 57 8.938 -7.864 -11.527 1.00 0.00 N ATOM 864 NH2 ARG A 57 10.890 -7.476 -10.457 1.00 0.00 N ATOM 0 H ARG A 57 4.592 -2.577 -7.960 1.00 0.00 H new ATOM 0 HA ARG A 57 6.572 -3.718 -7.627 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.834 -3.512 -10.317 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.066 -2.352 -9.862 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.473 -4.101 -9.453 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.461 -4.534 -8.090 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.996 -5.894 -9.607 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.003 -5.458 -10.973 1.00 0.00 H new ATOM 0 HE ARG A 57 9.080 -7.025 -8.594 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.923 -7.777 -11.573 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.442 -8.346 -12.271 1.00 0.00 H new ATOM 0 HH21 ARG A 57 11.401 -7.085 -9.666 1.00 0.00 H new ATOM 0 HH22 ARG A 57 11.394 -7.958 -11.202 1.00 0.00 H new ATOM 878 N LYS A 58 6.753 -0.861 -6.834 1.00 0.00 N ATOM 879 CA LYS A 58 7.464 0.176 -6.029 1.00 0.00 C ATOM 880 C LYS A 58 7.675 -0.366 -4.613 1.00 0.00 C ATOM 881 O LYS A 58 7.003 -1.289 -4.201 1.00 0.00 O ATOM 882 CB LYS A 58 6.629 1.456 -5.958 1.00 0.00 C ATOM 883 CG LYS A 58 7.338 2.573 -6.725 1.00 0.00 C ATOM 884 CD LYS A 58 7.082 2.408 -8.224 1.00 0.00 C ATOM 885 CE LYS A 58 8.005 3.344 -9.005 1.00 0.00 C ATOM 886 NZ LYS A 58 7.240 4.545 -9.447 1.00 0.00 N ATOM 0 H LYS A 58 5.735 -0.795 -6.833 1.00 0.00 H new ATOM 0 HA LYS A 58 8.421 0.406 -6.497 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.640 1.281 -6.381 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.483 1.750 -4.919 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.977 3.545 -6.389 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.409 2.544 -6.523 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.258 1.374 -8.522 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.040 2.633 -8.453 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.847 3.645 -8.381 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.419 2.825 -9.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.869 5.181 -9.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.451 4.249 -10.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.866 5.044 -8.615 1.00 0.00 H new ATOM 900 N PRO A 59 8.605 0.221 -3.910 1.00 0.00 N ATOM 901 CA PRO A 59 8.930 -0.189 -2.533 1.00 0.00 C ATOM 902 C PRO A 59 7.879 0.338 -1.550 1.00 0.00 C ATOM 903 O PRO A 59 7.575 1.514 -1.523 1.00 0.00 O ATOM 904 CB PRO A 59 10.296 0.455 -2.282 1.00 0.00 C ATOM 905 CG PRO A 59 10.414 1.632 -3.281 1.00 0.00 C ATOM 906 CD PRO A 59 9.418 1.345 -4.418 1.00 0.00 C ATOM 0 HA PRO A 59 8.945 -1.271 -2.399 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.376 0.809 -1.254 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.099 -0.266 -2.434 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.183 2.579 -2.793 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.430 1.712 -3.667 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.801 2.216 -4.637 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.933 1.079 -5.341 1.00 0.00 H new ATOM 914 N TYR A 60 7.321 -0.525 -0.740 1.00 0.00 N ATOM 915 CA TYR A 60 6.292 -0.072 0.241 1.00 0.00 C ATOM 916 C TYR A 60 6.831 1.125 1.034 1.00 0.00 C ATOM 917 O TYR A 60 7.898 1.046 1.611 1.00 0.00 O ATOM 918 CB TYR A 60 5.975 -1.221 1.205 1.00 0.00 C ATOM 919 CG TYR A 60 5.155 -2.282 0.502 1.00 0.00 C ATOM 920 CD1 TYR A 60 4.959 -2.225 -0.885 1.00 0.00 C ATOM 921 CD2 TYR A 60 4.589 -3.326 1.244 1.00 0.00 C ATOM 922 CE1 TYR A 60 4.199 -3.210 -1.527 1.00 0.00 C ATOM 923 CE2 TYR A 60 3.830 -4.311 0.601 1.00 0.00 C ATOM 924 CZ TYR A 60 3.635 -4.254 -0.783 1.00 0.00 C ATOM 925 OH TYR A 60 2.887 -5.225 -1.416 1.00 0.00 O ATOM 0 H TYR A 60 7.534 -1.522 -0.716 1.00 0.00 H new ATOM 0 HA TYR A 60 5.387 0.224 -0.289 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.901 -1.656 1.581 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.428 -0.841 2.068 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.395 -1.420 -1.459 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.738 -3.371 2.313 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.048 -3.165 -2.595 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.394 -5.116 1.174 1.00 0.00 H new ATOM 0 HH TYR A 60 3.434 -5.666 -2.099 1.00 0.00 H new ATOM 935 N PRO A 61 6.081 2.205 1.045 1.00 0.00 N ATOM 936 CA PRO A 61 6.478 3.428 1.766 1.00 0.00 C ATOM 937 C PRO A 61 6.197 3.283 3.266 1.00 0.00 C ATOM 938 O PRO A 61 5.143 3.649 3.747 1.00 0.00 O ATOM 939 CB PRO A 61 5.593 4.514 1.147 1.00 0.00 C ATOM 940 CG PRO A 61 4.371 3.787 0.535 1.00 0.00 C ATOM 941 CD PRO A 61 4.780 2.313 0.346 1.00 0.00 C ATOM 0 HA PRO A 61 7.542 3.650 1.678 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.278 5.235 1.901 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.137 5.069 0.383 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.505 3.867 1.192 1.00 0.00 H new ATOM 0 HG3 PRO A 61 4.091 4.236 -0.418 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.040 1.636 0.774 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.873 2.057 -0.710 1.00 0.00 H new