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 -127:sc= 0.0792 USER MOD Set 1.2: A 32 THR OG1 : rot 42:sc= 0.0686 USER MOD Set 1.3: A 33 CYS SG : rot -131:sc= -0.405! USER MOD Set 1.4: A 53 CYS SG : rot 70:sc= 0.547 USER MOD Set 1.5: A 56 CYS SG : rot -69:sc= -2.73! USER MOD Set 2.1: A 14 CYS SG : rot 169:sc= 0.0539 USER MOD Set 2.2: A 17 CYS SG : rot -75:sc= -4.82! USER MOD Set 2.3: A 38 CYS SG : rot -136:sc= 0.771 USER MOD Set 2.4: A 41 CYS SG : rot 147:sc= -1.21 USER MOD Single : A 18 MET CE :methyl -99:sc= -0.0456 (180deg=-0.296) USER MOD Single : A 27 ASN : amide:sc= -0.157 K(o=-0.16,f=-1.2) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -8.47! C(o=-8.5!,f=-8.2!) USER MOD Single : A 43 HIS : no HD1:sc= -0.172 X(o=-0.17,f=0.031) USER MOD Single : A 47 THR OG1 : rot 124:sc= 1.17 USER MOD Single : A 50 ASN : amide:sc= -0.262 K(o=-0.26,f=-2.4!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 57:sc= 0.156 USER MOD ----------------------------------------------------------------- ATOM 165 N VAL A 12 -15.232 0.796 -0.282 1.00 0.00 N ATOM 166 CA VAL A 12 -14.125 0.163 -1.051 1.00 0.00 C ATOM 167 C VAL A 12 -13.976 -1.290 -0.597 1.00 0.00 C ATOM 168 O VAL A 12 -14.293 -1.633 0.523 1.00 0.00 O ATOM 169 CB VAL A 12 -12.819 0.915 -0.792 1.00 0.00 C ATOM 170 CG1 VAL A 12 -11.791 0.539 -1.861 1.00 0.00 C ATOM 171 CG2 VAL A 12 -13.080 2.423 -0.847 1.00 0.00 C ATOM 0 HA VAL A 12 -14.351 0.199 -2.117 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.435 0.646 0.192 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.860 1.075 -1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.604 -0.534 -1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -12.175 0.808 -2.845 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.150 2.960 -0.662 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.464 2.690 -1.831 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.812 2.694 -0.086 1.00 0.00 H new ATOM 181 N GLU A 13 -13.501 -2.150 -1.456 1.00 0.00 N ATOM 182 CA GLU A 13 -13.345 -3.576 -1.059 1.00 0.00 C ATOM 183 C GLU A 13 -11.991 -4.105 -1.534 1.00 0.00 C ATOM 184 O GLU A 13 -11.692 -4.112 -2.712 1.00 0.00 O ATOM 185 CB GLU A 13 -14.464 -4.404 -1.690 1.00 0.00 C ATOM 186 CG GLU A 13 -15.037 -5.364 -0.647 1.00 0.00 C ATOM 187 CD GLU A 13 -16.207 -4.694 0.074 1.00 0.00 C ATOM 188 OE1 GLU A 13 -16.062 -3.545 0.457 1.00 0.00 O ATOM 189 OE2 GLU A 13 -17.230 -5.342 0.232 1.00 0.00 O ATOM 0 H GLU A 13 -13.216 -1.928 -2.410 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.398 -3.653 0.027 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -15.249 -3.748 -2.066 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.080 -4.964 -2.543 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.371 -6.283 -1.128 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.265 -5.642 0.070 1.00 0.00 H new ATOM 196 N CYS A 14 -11.171 -4.556 -0.624 1.00 0.00 N ATOM 197 CA CYS A 14 -9.839 -5.091 -1.019 1.00 0.00 C ATOM 198 C CYS A 14 -10.015 -6.069 -2.188 1.00 0.00 C ATOM 199 O CYS A 14 -10.559 -7.139 -2.011 1.00 0.00 O ATOM 200 CB CYS A 14 -9.220 -5.836 0.168 1.00 0.00 C ATOM 201 SG CYS A 14 -7.483 -6.204 -0.188 1.00 0.00 S ATOM 0 H CYS A 14 -11.367 -4.577 0.377 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.188 -4.269 -1.318 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.297 -5.230 1.071 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.767 -6.760 0.356 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.895 -6.613 0.897 1.00 0.00 H new ATOM 206 N PRO A 15 -9.552 -5.676 -3.349 1.00 0.00 N ATOM 207 CA PRO A 15 -9.644 -6.509 -4.562 1.00 0.00 C ATOM 208 C PRO A 15 -8.549 -7.581 -4.564 1.00 0.00 C ATOM 209 O PRO A 15 -8.324 -8.252 -5.553 1.00 0.00 O ATOM 210 CB PRO A 15 -9.424 -5.509 -5.701 1.00 0.00 C ATOM 211 CG PRO A 15 -8.666 -4.307 -5.086 1.00 0.00 C ATOM 212 CD PRO A 15 -8.900 -4.368 -3.564 1.00 0.00 C ATOM 0 HA PRO A 15 -10.591 -7.042 -4.642 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -8.847 -5.960 -6.508 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -10.375 -5.191 -6.128 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.602 -4.361 -5.316 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -9.033 -3.367 -5.497 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.962 -4.296 -3.014 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.532 -3.547 -3.225 1.00 0.00 H new ATOM 220 N LEU A 16 -7.861 -7.745 -3.467 1.00 0.00 N ATOM 221 CA LEU A 16 -6.780 -8.767 -3.410 1.00 0.00 C ATOM 222 C LEU A 16 -7.241 -9.956 -2.564 1.00 0.00 C ATOM 223 O LEU A 16 -6.801 -11.073 -2.753 1.00 0.00 O ATOM 224 CB LEU A 16 -5.535 -8.140 -2.785 1.00 0.00 C ATOM 225 CG LEU A 16 -5.099 -6.945 -3.634 1.00 0.00 C ATOM 226 CD1 LEU A 16 -5.169 -5.667 -2.798 1.00 0.00 C ATOM 227 CD2 LEU A 16 -3.666 -7.163 -4.117 1.00 0.00 C ATOM 0 H LEU A 16 -8.002 -7.214 -2.607 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.549 -9.116 -4.416 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.747 -7.820 -1.765 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.732 -8.875 -2.728 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.763 -6.849 -4.493 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.858 -4.817 -3.406 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.192 -5.512 -2.455 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.507 -5.759 -1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.353 -6.312 -4.723 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.003 -7.260 -3.257 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.618 -8.072 -4.716 1.00 0.00 H new ATOM 239 N CYS A 17 -8.132 -9.728 -1.637 1.00 0.00 N ATOM 240 CA CYS A 17 -8.628 -10.847 -0.786 1.00 0.00 C ATOM 241 C CYS A 17 -10.161 -10.811 -0.741 1.00 0.00 C ATOM 242 O CYS A 17 -10.796 -11.662 -0.151 1.00 0.00 O ATOM 243 CB CYS A 17 -8.060 -10.711 0.629 1.00 0.00 C ATOM 244 SG CYS A 17 -8.792 -9.272 1.443 1.00 0.00 S ATOM 0 H CYS A 17 -8.538 -8.815 -1.432 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.302 -11.798 -1.208 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.271 -11.613 1.204 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.976 -10.605 0.588 1.00 0.00 H new ATOM 0 HG CYS A 17 -8.266 -8.186 0.960 1.00 0.00 H new ATOM 249 N MET A 18 -10.756 -9.841 -1.382 1.00 0.00 N ATOM 250 CA MET A 18 -12.243 -9.748 -1.408 1.00 0.00 C ATOM 251 C MET A 18 -12.781 -9.348 -0.034 1.00 0.00 C ATOM 252 O MET A 18 -13.940 -9.552 0.270 1.00 0.00 O ATOM 253 CB MET A 18 -12.834 -11.101 -1.811 1.00 0.00 C ATOM 254 CG MET A 18 -11.871 -11.815 -2.759 1.00 0.00 C ATOM 255 SD MET A 18 -12.792 -12.476 -4.170 1.00 0.00 S ATOM 256 CE MET A 18 -13.103 -10.895 -4.996 1.00 0.00 C ATOM 0 H MET A 18 -10.271 -9.103 -1.893 1.00 0.00 H new ATOM 0 HA MET A 18 -12.532 -8.987 -2.133 1.00 0.00 H new ATOM 0 HB2 MET A 18 -13.009 -11.712 -0.925 1.00 0.00 H new ATOM 0 HB3 MET A 18 -13.800 -10.958 -2.296 1.00 0.00 H new ATOM 0 HG2 MET A 18 -11.104 -11.122 -3.104 1.00 0.00 H new ATOM 0 HG3 MET A 18 -11.359 -12.622 -2.235 1.00 0.00 H new ATOM 0 HE1 MET A 18 -14.111 -10.554 -4.760 1.00 0.00 H new ATOM 0 HE2 MET A 18 -12.380 -10.156 -4.651 1.00 0.00 H new ATOM 0 HE3 MET A 18 -13.006 -11.022 -6.074 1.00 0.00 H new ATOM 266 N GLU A 19 -11.959 -8.777 0.798 1.00 0.00 N ATOM 267 CA GLU A 19 -12.439 -8.363 2.150 1.00 0.00 C ATOM 268 C GLU A 19 -12.937 -6.914 2.093 1.00 0.00 C ATOM 269 O GLU A 19 -12.582 -6.174 1.199 1.00 0.00 O ATOM 270 CB GLU A 19 -11.294 -8.464 3.159 1.00 0.00 C ATOM 271 CG GLU A 19 -10.946 -9.935 3.394 1.00 0.00 C ATOM 272 CD GLU A 19 -11.844 -10.502 4.496 1.00 0.00 C ATOM 273 OE1 GLU A 19 -13.024 -10.194 4.487 1.00 0.00 O ATOM 274 OE2 GLU A 19 -11.336 -11.234 5.329 1.00 0.00 O ATOM 0 H GLU A 19 -10.978 -8.578 0.604 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.252 -9.020 2.459 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.420 -7.928 2.788 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.582 -7.993 4.099 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.079 -10.503 2.473 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.898 -10.031 3.679 1.00 0.00 H new ATOM 281 N PRO A 20 -13.746 -6.555 3.059 1.00 0.00 N ATOM 282 CA PRO A 20 -14.310 -5.197 3.157 1.00 0.00 C ATOM 283 C PRO A 20 -13.264 -4.221 3.707 1.00 0.00 C ATOM 284 O PRO A 20 -12.567 -4.512 4.658 1.00 0.00 O ATOM 285 CB PRO A 20 -15.477 -5.363 4.136 1.00 0.00 C ATOM 286 CG PRO A 20 -15.176 -6.638 4.962 1.00 0.00 C ATOM 287 CD PRO A 20 -14.171 -7.468 4.141 1.00 0.00 C ATOM 0 HA PRO A 20 -14.623 -4.791 2.195 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -15.567 -4.492 4.785 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -16.422 -5.461 3.601 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.760 -6.379 5.936 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.089 -7.205 5.145 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.325 -7.785 4.750 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -14.632 -8.371 3.742 1.00 0.00 H new ATOM 295 N LEU A 21 -13.147 -3.065 3.112 1.00 0.00 N ATOM 296 CA LEU A 21 -12.145 -2.070 3.592 1.00 0.00 C ATOM 297 C LEU A 21 -12.734 -1.252 4.742 1.00 0.00 C ATOM 298 O LEU A 21 -13.842 -1.484 5.184 1.00 0.00 O ATOM 299 CB LEU A 21 -11.779 -1.125 2.445 1.00 0.00 C ATOM 300 CG LEU A 21 -10.588 -1.692 1.671 1.00 0.00 C ATOM 301 CD1 LEU A 21 -10.385 -0.887 0.387 1.00 0.00 C ATOM 302 CD2 LEU A 21 -9.330 -1.592 2.535 1.00 0.00 C ATOM 0 H LEU A 21 -13.704 -2.766 2.312 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.256 -2.597 3.939 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.632 -0.999 1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.533 -0.138 2.838 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.779 -2.735 1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.536 -1.291 -0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.282 -0.952 -0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.192 0.156 0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.479 -1.995 1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.140 -0.547 2.782 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.473 -2.162 3.453 1.00 0.00 H new ATOM 314 N GLU A 22 -11.998 -0.287 5.223 1.00 0.00 N ATOM 315 CA GLU A 22 -12.504 0.561 6.336 1.00 0.00 C ATOM 316 C GLU A 22 -12.343 2.032 5.949 1.00 0.00 C ATOM 317 O GLU A 22 -11.802 2.350 4.910 1.00 0.00 O ATOM 318 CB GLU A 22 -11.701 0.277 7.608 1.00 0.00 C ATOM 319 CG GLU A 22 -12.609 -0.373 8.654 1.00 0.00 C ATOM 320 CD GLU A 22 -13.613 0.659 9.172 1.00 0.00 C ATOM 321 OE1 GLU A 22 -14.674 0.770 8.583 1.00 0.00 O ATOM 322 OE2 GLU A 22 -13.302 1.318 10.151 1.00 0.00 O ATOM 0 H GLU A 22 -11.064 -0.050 4.890 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.555 0.338 6.520 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.862 -0.381 7.381 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.283 1.204 8.001 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.136 -1.221 8.217 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.011 -0.760 9.479 1.00 0.00 H new ATOM 329 N ILE A 23 -12.805 2.931 6.771 1.00 0.00 N ATOM 330 CA ILE A 23 -12.671 4.376 6.438 1.00 0.00 C ATOM 331 C ILE A 23 -11.204 4.796 6.557 1.00 0.00 C ATOM 332 O ILE A 23 -10.634 5.357 5.642 1.00 0.00 O ATOM 333 CB ILE A 23 -13.525 5.201 7.402 1.00 0.00 C ATOM 334 CG1 ILE A 23 -15.004 4.999 7.066 1.00 0.00 C ATOM 335 CG2 ILE A 23 -13.169 6.682 7.259 1.00 0.00 C ATOM 336 CD1 ILE A 23 -15.310 5.629 5.706 1.00 0.00 C ATOM 0 H ILE A 23 -13.268 2.729 7.657 1.00 0.00 H new ATOM 0 HA ILE A 23 -13.011 4.548 5.417 1.00 0.00 H new ATOM 0 HB ILE A 23 -13.334 4.879 8.426 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -15.241 3.935 7.047 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -15.628 5.452 7.837 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -13.777 7.270 7.946 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.114 6.827 7.493 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -13.361 7.005 6.236 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -16.364 5.485 5.467 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -15.088 6.696 5.741 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -14.696 5.156 4.939 1.00 0.00 H new ATOM 348 N ASP A 24 -10.588 4.530 7.676 1.00 0.00 N ATOM 349 CA ASP A 24 -9.159 4.915 7.848 1.00 0.00 C ATOM 350 C ASP A 24 -8.259 3.861 7.197 1.00 0.00 C ATOM 351 O ASP A 24 -7.049 3.971 7.215 1.00 0.00 O ATOM 352 CB ASP A 24 -8.832 5.013 9.340 1.00 0.00 C ATOM 353 CG ASP A 24 -9.451 3.824 10.078 1.00 0.00 C ATOM 354 OD1 ASP A 24 -9.581 2.776 9.469 1.00 0.00 O ATOM 355 OD2 ASP A 24 -9.785 3.983 11.241 1.00 0.00 O ATOM 0 H ASP A 24 -11.012 4.063 8.478 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.986 5.881 7.373 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.752 5.023 9.486 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.218 5.948 9.747 1.00 0.00 H new ATOM 360 N ASP A 25 -8.835 2.841 6.622 1.00 0.00 N ATOM 361 CA ASP A 25 -8.006 1.785 5.972 1.00 0.00 C ATOM 362 C ASP A 25 -7.887 2.080 4.477 1.00 0.00 C ATOM 363 O ASP A 25 -7.081 1.496 3.780 1.00 0.00 O ATOM 364 CB ASP A 25 -8.672 0.421 6.166 1.00 0.00 C ATOM 365 CG ASP A 25 -8.351 -0.113 7.564 1.00 0.00 C ATOM 366 OD1 ASP A 25 -8.701 0.553 8.525 1.00 0.00 O ATOM 367 OD2 ASP A 25 -7.763 -1.178 7.649 1.00 0.00 O ATOM 0 H ASP A 25 -9.843 2.693 6.574 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.014 1.775 6.423 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.751 0.510 6.039 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.319 -0.279 5.408 1.00 0.00 H new ATOM 372 N ILE A 26 -8.690 2.977 3.979 1.00 0.00 N ATOM 373 CA ILE A 26 -8.633 3.307 2.529 1.00 0.00 C ATOM 374 C ILE A 26 -7.329 4.050 2.217 1.00 0.00 C ATOM 375 O ILE A 26 -6.425 3.512 1.610 1.00 0.00 O ATOM 376 CB ILE A 26 -9.831 4.190 2.172 1.00 0.00 C ATOM 377 CG1 ILE A 26 -11.106 3.344 2.200 1.00 0.00 C ATOM 378 CG2 ILE A 26 -9.644 4.777 0.773 1.00 0.00 C ATOM 379 CD1 ILE A 26 -12.310 4.243 2.489 1.00 0.00 C ATOM 0 H ILE A 26 -9.385 3.497 4.515 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.665 2.389 1.942 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.909 5.002 2.895 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.239 2.836 1.245 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.025 2.570 2.964 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.500 5.405 0.524 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.735 5.377 0.749 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.564 3.968 0.047 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.218 3.640 2.509 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.177 4.730 3.455 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.394 5.000 1.709 1.00 0.00 H new ATOM 391 N ASN A 27 -7.222 5.284 2.628 1.00 0.00 N ATOM 392 CA ASN A 27 -5.979 6.064 2.353 1.00 0.00 C ATOM 393 C ASN A 27 -4.742 5.222 2.686 1.00 0.00 C ATOM 394 O ASN A 27 -3.663 5.472 2.187 1.00 0.00 O ATOM 395 CB ASN A 27 -5.973 7.330 3.212 1.00 0.00 C ATOM 396 CG ASN A 27 -5.954 6.943 4.692 1.00 0.00 C ATOM 397 OD1 ASN A 27 -4.918 6.613 5.233 1.00 0.00 O ATOM 398 ND2 ASN A 27 -7.066 6.968 5.375 1.00 0.00 N ATOM 0 H ASN A 27 -7.943 5.788 3.144 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.955 6.332 1.297 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.102 7.940 2.974 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -6.854 7.934 2.994 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.064 6.711 6.362 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.937 7.245 4.922 1.00 0.00 H new ATOM 405 N PHE A 28 -4.882 4.239 3.531 1.00 0.00 N ATOM 406 CA PHE A 28 -3.704 3.402 3.898 1.00 0.00 C ATOM 407 C PHE A 28 -3.388 2.406 2.778 1.00 0.00 C ATOM 408 O PHE A 28 -4.105 1.448 2.563 1.00 0.00 O ATOM 409 CB PHE A 28 -4.001 2.635 5.189 1.00 0.00 C ATOM 410 CG PHE A 28 -2.933 1.591 5.414 1.00 0.00 C ATOM 411 CD1 PHE A 28 -1.689 1.961 5.940 1.00 0.00 C ATOM 412 CD2 PHE A 28 -3.185 0.252 5.091 1.00 0.00 C ATOM 413 CE1 PHE A 28 -0.699 0.993 6.145 1.00 0.00 C ATOM 414 CE2 PHE A 28 -2.194 -0.717 5.294 1.00 0.00 C ATOM 415 CZ PHE A 28 -0.952 -0.346 5.821 1.00 0.00 C ATOM 0 H PHE A 28 -5.759 3.979 3.983 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.844 4.055 4.046 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.035 3.323 6.033 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.980 2.160 5.125 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.493 2.994 6.188 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.144 -0.034 4.685 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.259 1.278 6.553 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -2.388 -1.750 5.044 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.188 -1.093 5.978 1.00 0.00 H new ATOM 425 N PHE A 29 -2.306 2.612 2.079 1.00 0.00 N ATOM 426 CA PHE A 29 -1.923 1.668 0.992 1.00 0.00 C ATOM 427 C PHE A 29 -0.462 1.267 1.185 1.00 0.00 C ATOM 428 O PHE A 29 0.320 2.028 1.720 1.00 0.00 O ATOM 429 CB PHE A 29 -2.085 2.336 -0.377 1.00 0.00 C ATOM 430 CG PHE A 29 -1.842 3.819 -0.250 1.00 0.00 C ATOM 431 CD1 PHE A 29 -0.559 4.304 0.047 1.00 0.00 C ATOM 432 CD2 PHE A 29 -2.906 4.711 -0.423 1.00 0.00 C ATOM 433 CE1 PHE A 29 -0.348 5.684 0.169 1.00 0.00 C ATOM 434 CE2 PHE A 29 -2.695 6.086 -0.299 1.00 0.00 C ATOM 435 CZ PHE A 29 -1.415 6.575 -0.004 1.00 0.00 C ATOM 0 H PHE A 29 -1.668 3.397 2.215 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.568 0.791 1.033 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.383 1.902 -1.089 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.087 2.154 -0.765 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.263 3.616 0.181 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.892 4.336 -0.653 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.638 6.061 0.397 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.518 6.773 -0.430 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.251 7.638 0.090 1.00 0.00 H new ATOM 445 N PRO A 30 -0.134 0.084 0.743 1.00 0.00 N ATOM 446 CA PRO A 30 1.233 -0.444 0.850 1.00 0.00 C ATOM 447 C PRO A 30 2.126 0.196 -0.212 1.00 0.00 C ATOM 448 O PRO A 30 3.329 0.037 -0.203 1.00 0.00 O ATOM 449 CB PRO A 30 1.059 -1.945 0.596 1.00 0.00 C ATOM 450 CG PRO A 30 -0.267 -2.105 -0.185 1.00 0.00 C ATOM 451 CD PRO A 30 -1.093 -0.834 0.092 1.00 0.00 C ATOM 0 HA PRO A 30 1.706 -0.237 1.810 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.897 -2.342 0.023 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.025 -2.497 1.536 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.077 -2.220 -1.252 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.804 -2.996 0.141 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.490 -0.408 -0.829 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.945 -1.045 0.739 1.00 0.00 H new ATOM 459 N CYS A 31 1.547 0.921 -1.130 1.00 0.00 N ATOM 460 CA CYS A 31 2.369 1.563 -2.192 1.00 0.00 C ATOM 461 C CYS A 31 1.900 3.002 -2.424 1.00 0.00 C ATOM 462 O CYS A 31 0.814 3.384 -2.035 1.00 0.00 O ATOM 463 CB CYS A 31 2.229 0.770 -3.488 1.00 0.00 C ATOM 464 SG CYS A 31 3.474 1.336 -4.669 1.00 0.00 S ATOM 0 H CYS A 31 0.544 1.096 -1.190 1.00 0.00 H new ATOM 0 HA CYS A 31 3.412 1.575 -1.876 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.354 -0.295 -3.292 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.230 0.902 -3.903 1.00 0.00 H new ATOM 0 HG CYS A 31 2.897 1.652 -5.790 1.00 0.00 H new ATOM 469 N THR A 32 2.716 3.801 -3.056 1.00 0.00 N ATOM 470 CA THR A 32 2.331 5.217 -3.315 1.00 0.00 C ATOM 471 C THR A 32 1.622 5.328 -4.668 1.00 0.00 C ATOM 472 O THR A 32 0.942 6.297 -4.942 1.00 0.00 O ATOM 473 CB THR A 32 3.590 6.086 -3.339 1.00 0.00 C ATOM 474 OG1 THR A 32 4.653 5.354 -3.933 1.00 0.00 O ATOM 475 CG2 THR A 32 3.970 6.479 -1.912 1.00 0.00 C ATOM 0 H THR A 32 3.636 3.533 -3.405 1.00 0.00 H new ATOM 0 HA THR A 32 1.658 5.554 -2.526 1.00 0.00 H new ATOM 0 HB THR A 32 3.400 6.989 -3.920 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.318 4.865 -4.713 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.867 7.098 -1.932 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.152 7.040 -1.459 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.162 5.580 -1.326 1.00 0.00 H new ATOM 483 N CYS A 33 1.785 4.357 -5.525 1.00 0.00 N ATOM 484 CA CYS A 33 1.125 4.435 -6.859 1.00 0.00 C ATOM 485 C CYS A 33 -0.393 4.523 -6.682 1.00 0.00 C ATOM 486 O CYS A 33 -1.060 5.267 -7.372 1.00 0.00 O ATOM 487 CB CYS A 33 1.491 3.204 -7.695 1.00 0.00 C ATOM 488 SG CYS A 33 0.639 1.743 -7.053 1.00 0.00 S ATOM 0 H CYS A 33 2.343 3.519 -5.361 1.00 0.00 H new ATOM 0 HA CYS A 33 1.472 5.328 -7.379 1.00 0.00 H new ATOM 0 HB2 CYS A 33 1.215 3.367 -8.737 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.569 3.046 -7.671 1.00 0.00 H new ATOM 0 HG CYS A 33 1.493 0.774 -6.901 1.00 0.00 H new ATOM 493 N GLY A 34 -0.949 3.786 -5.757 1.00 0.00 N ATOM 494 CA GLY A 34 -2.424 3.860 -5.546 1.00 0.00 C ATOM 495 C GLY A 34 -2.987 2.482 -5.189 1.00 0.00 C ATOM 496 O GLY A 34 -3.849 2.366 -4.343 1.00 0.00 O ATOM 0 H GLY A 34 -0.451 3.141 -5.143 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.648 4.568 -4.748 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.908 4.234 -6.449 1.00 0.00 H new ATOM 500 N TYR A 35 -2.523 1.438 -5.825 1.00 0.00 N ATOM 501 CA TYR A 35 -3.059 0.082 -5.505 1.00 0.00 C ATOM 502 C TYR A 35 -3.123 -0.080 -3.986 1.00 0.00 C ATOM 503 O TYR A 35 -2.153 -0.436 -3.347 1.00 0.00 O ATOM 504 CB TYR A 35 -2.147 -0.996 -6.096 1.00 0.00 C ATOM 505 CG TYR A 35 -2.974 -2.207 -6.466 1.00 0.00 C ATOM 506 CD1 TYR A 35 -4.109 -2.053 -7.272 1.00 0.00 C ATOM 507 CD2 TYR A 35 -2.610 -3.482 -6.009 1.00 0.00 C ATOM 508 CE1 TYR A 35 -4.876 -3.170 -7.624 1.00 0.00 C ATOM 509 CE2 TYR A 35 -3.380 -4.597 -6.361 1.00 0.00 C ATOM 510 CZ TYR A 35 -4.512 -4.441 -7.168 1.00 0.00 C ATOM 511 OH TYR A 35 -5.268 -5.542 -7.516 1.00 0.00 O ATOM 0 H TYR A 35 -1.802 1.465 -6.546 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.055 -0.025 -5.934 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.633 -0.610 -6.976 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.379 -1.273 -5.374 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.393 -1.072 -7.622 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.736 -3.604 -5.386 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.749 -3.050 -8.248 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -3.100 -5.579 -6.009 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.877 -6.347 -7.117 1.00 0.00 H new ATOM 521 N GLN A 36 -4.257 0.193 -3.402 1.00 0.00 N ATOM 522 CA GLN A 36 -4.386 0.074 -1.926 1.00 0.00 C ATOM 523 C GLN A 36 -4.990 -1.287 -1.572 1.00 0.00 C ATOM 524 O GLN A 36 -5.834 -1.806 -2.276 1.00 0.00 O ATOM 525 CB GLN A 36 -5.296 1.192 -1.414 1.00 0.00 C ATOM 526 CG GLN A 36 -5.528 1.028 0.088 1.00 0.00 C ATOM 527 CD GLN A 36 -7.001 1.294 0.403 1.00 0.00 C ATOM 528 OE1 GLN A 36 -7.616 0.562 1.153 1.00 0.00 O ATOM 529 NE2 GLN A 36 -7.596 2.318 -0.143 1.00 0.00 N ATOM 0 H GLN A 36 -5.102 0.494 -3.887 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.404 0.159 -1.461 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.843 2.163 -1.617 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.249 1.168 -1.943 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.253 0.021 0.403 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -4.895 1.720 0.643 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.079 2.932 -0.772 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.578 2.505 0.059 1.00 0.00 H new ATOM 538 N ILE A 37 -4.562 -1.868 -0.486 1.00 0.00 N ATOM 539 CA ILE A 37 -5.107 -3.194 -0.084 1.00 0.00 C ATOM 540 C ILE A 37 -5.635 -3.107 1.350 1.00 0.00 C ATOM 541 O ILE A 37 -5.682 -2.047 1.940 1.00 0.00 O ATOM 542 CB ILE A 37 -3.994 -4.243 -0.160 1.00 0.00 C ATOM 543 CG1 ILE A 37 -3.017 -4.036 0.999 1.00 0.00 C ATOM 544 CG2 ILE A 37 -3.247 -4.096 -1.487 1.00 0.00 C ATOM 545 CD1 ILE A 37 -1.819 -4.973 0.828 1.00 0.00 C ATOM 0 H ILE A 37 -3.857 -1.481 0.141 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.918 -3.479 -0.754 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.429 -5.240 -0.094 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.681 -2.999 1.025 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.515 -4.234 1.948 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.454 -4.842 -1.543 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.942 -4.242 -2.314 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.812 -3.099 -1.551 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.122 -4.827 1.653 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.164 -6.007 0.823 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.317 -4.754 -0.114 1.00 0.00 H new ATOM 557 N CYS A 38 -6.028 -4.214 1.916 1.00 0.00 N ATOM 558 CA CYS A 38 -6.544 -4.188 3.311 1.00 0.00 C ATOM 559 C CYS A 38 -5.375 -4.411 4.279 1.00 0.00 C ATOM 560 O CYS A 38 -4.316 -4.861 3.889 1.00 0.00 O ATOM 561 CB CYS A 38 -7.606 -5.280 3.486 1.00 0.00 C ATOM 562 SG CYS A 38 -6.819 -6.907 3.544 1.00 0.00 S ATOM 0 H CYS A 38 -6.014 -5.133 1.473 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.003 -3.223 3.523 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.169 -5.107 4.403 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.318 -5.241 2.662 1.00 0.00 H new ATOM 0 HG CYS A 38 -7.498 -7.743 2.816 1.00 0.00 H new ATOM 567 N ARG A 39 -5.550 -4.085 5.530 1.00 0.00 N ATOM 568 CA ARG A 39 -4.436 -4.268 6.505 1.00 0.00 C ATOM 569 C ARG A 39 -4.108 -5.756 6.651 1.00 0.00 C ATOM 570 O ARG A 39 -3.087 -6.124 7.196 1.00 0.00 O ATOM 571 CB ARG A 39 -4.849 -3.700 7.865 1.00 0.00 C ATOM 572 CG ARG A 39 -4.679 -2.179 7.851 1.00 0.00 C ATOM 573 CD ARG A 39 -3.716 -1.761 8.963 1.00 0.00 C ATOM 574 NE ARG A 39 -4.495 -1.344 10.162 1.00 0.00 N ATOM 575 CZ ARG A 39 -4.042 -1.603 11.358 1.00 0.00 C ATOM 576 NH1 ARG A 39 -2.785 -1.394 11.640 1.00 0.00 N ATOM 577 NH2 ARG A 39 -4.846 -2.074 12.270 1.00 0.00 N ATOM 0 H ARG A 39 -6.412 -3.702 5.919 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.553 -3.742 6.142 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.885 -3.960 8.081 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.239 -4.138 8.655 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.296 -1.854 6.883 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.645 -1.694 7.991 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.054 -2.589 9.216 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.084 -0.940 8.623 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.383 -0.856 10.048 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.156 -1.028 10.925 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.432 -1.597 12.575 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.828 -2.240 12.048 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.493 -2.277 13.205 1.00 0.00 H new ATOM 591 N PHE A 40 -4.965 -6.616 6.174 1.00 0.00 N ATOM 592 CA PHE A 40 -4.695 -8.077 6.294 1.00 0.00 C ATOM 593 C PHE A 40 -3.901 -8.561 5.078 1.00 0.00 C ATOM 594 O PHE A 40 -3.290 -9.611 5.103 1.00 0.00 O ATOM 595 CB PHE A 40 -6.022 -8.834 6.373 1.00 0.00 C ATOM 596 CG PHE A 40 -6.016 -9.721 7.592 1.00 0.00 C ATOM 597 CD1 PHE A 40 -5.496 -11.017 7.511 1.00 0.00 C ATOM 598 CD2 PHE A 40 -6.527 -9.245 8.806 1.00 0.00 C ATOM 599 CE1 PHE A 40 -5.489 -11.840 8.642 1.00 0.00 C ATOM 600 CE2 PHE A 40 -6.518 -10.067 9.938 1.00 0.00 C ATOM 601 CZ PHE A 40 -5.999 -11.365 9.857 1.00 0.00 C ATOM 0 H PHE A 40 -5.838 -6.372 5.707 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.114 -8.263 7.197 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -6.853 -8.131 6.425 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.167 -9.433 5.474 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -5.100 -11.382 6.575 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -6.928 -8.244 8.868 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.090 -12.842 8.578 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -6.911 -9.700 10.875 1.00 0.00 H new ATOM 0 HZ PHE A 40 -5.992 -12.000 10.731 1.00 0.00 H new ATOM 611 N CYS A 41 -3.900 -7.804 4.016 1.00 0.00 N ATOM 612 CA CYS A 41 -3.142 -8.219 2.803 1.00 0.00 C ATOM 613 C CYS A 41 -1.727 -7.643 2.879 1.00 0.00 C ATOM 614 O CYS A 41 -0.811 -8.119 2.237 1.00 0.00 O ATOM 615 CB CYS A 41 -3.845 -7.686 1.549 1.00 0.00 C ATOM 616 SG CYS A 41 -5.070 -8.890 0.977 1.00 0.00 S ATOM 0 H CYS A 41 -4.392 -6.914 3.936 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.096 -9.307 2.753 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -4.331 -6.735 1.769 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -3.114 -7.496 0.764 1.00 0.00 H new ATOM 0 HG CYS A 41 -6.080 -8.264 0.449 1.00 0.00 H new ATOM 621 N TRP A 42 -1.548 -6.612 3.659 1.00 0.00 N ATOM 622 CA TRP A 42 -0.203 -5.985 3.783 1.00 0.00 C ATOM 623 C TRP A 42 0.578 -6.654 4.918 1.00 0.00 C ATOM 624 O TRP A 42 1.788 -6.759 4.875 1.00 0.00 O ATOM 625 CB TRP A 42 -0.376 -4.496 4.089 1.00 0.00 C ATOM 626 CG TRP A 42 0.955 -3.879 4.370 1.00 0.00 C ATOM 627 CD1 TRP A 42 1.954 -3.740 3.469 1.00 0.00 C ATOM 628 CD2 TRP A 42 1.447 -3.313 5.619 1.00 0.00 C ATOM 629 NE1 TRP A 42 3.028 -3.121 4.084 1.00 0.00 N ATOM 630 CE2 TRP A 42 2.764 -2.838 5.410 1.00 0.00 C ATOM 631 CE3 TRP A 42 0.884 -3.165 6.900 1.00 0.00 C ATOM 632 CZ2 TRP A 42 3.495 -2.239 6.435 1.00 0.00 C ATOM 633 CZ3 TRP A 42 1.618 -2.562 7.935 1.00 0.00 C ATOM 634 CH2 TRP A 42 2.921 -2.099 7.701 1.00 0.00 C ATOM 0 H TRP A 42 -2.280 -6.175 4.219 1.00 0.00 H new ATOM 0 HA TRP A 42 0.347 -6.110 2.851 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.849 -3.994 3.245 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.036 -4.366 4.947 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.919 -4.060 2.438 1.00 0.00 H new ATOM 0 HE1 TRP A 42 3.907 -2.901 3.616 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -0.119 -3.517 7.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.499 -1.885 6.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.177 -2.455 8.915 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.481 -1.634 8.499 1.00 0.00 H new ATOM 645 N HIS A 43 -0.102 -7.106 5.936 1.00 0.00 N ATOM 646 CA HIS A 43 0.605 -7.763 7.072 1.00 0.00 C ATOM 647 C HIS A 43 1.131 -9.129 6.630 1.00 0.00 C ATOM 648 O HIS A 43 1.897 -9.765 7.327 1.00 0.00 O ATOM 649 CB HIS A 43 -0.370 -7.949 8.237 1.00 0.00 C ATOM 650 CG HIS A 43 -0.272 -6.769 9.162 1.00 0.00 C ATOM 651 ND1 HIS A 43 0.421 -6.827 10.361 1.00 0.00 N ATOM 652 CD2 HIS A 43 -0.770 -5.493 9.077 1.00 0.00 C ATOM 653 CE1 HIS A 43 0.321 -5.619 10.944 1.00 0.00 C ATOM 654 NE2 HIS A 43 -0.395 -4.768 10.204 1.00 0.00 N ATOM 0 H HIS A 43 -1.116 -7.049 6.030 1.00 0.00 H new ATOM 0 HA HIS A 43 1.440 -7.138 7.388 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.388 -8.047 7.861 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.139 -8.868 8.776 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -1.363 -5.110 8.260 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.766 -5.367 11.895 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -0.619 -3.796 10.419 1.00 0.00 H new ATOM 662 N ARG A 44 0.727 -9.589 5.478 1.00 0.00 N ATOM 663 CA ARG A 44 1.205 -10.916 5.001 1.00 0.00 C ATOM 664 C ARG A 44 2.175 -10.725 3.833 1.00 0.00 C ATOM 665 O ARG A 44 3.066 -11.523 3.618 1.00 0.00 O ATOM 666 CB ARG A 44 0.010 -11.749 4.538 1.00 0.00 C ATOM 667 CG ARG A 44 0.136 -13.168 5.093 1.00 0.00 C ATOM 668 CD ARG A 44 -1.258 -13.775 5.264 1.00 0.00 C ATOM 669 NE ARG A 44 -1.439 -14.883 4.284 1.00 0.00 N ATOM 670 CZ ARG A 44 -2.638 -15.266 3.944 1.00 0.00 C ATOM 671 NH1 ARG A 44 -3.571 -14.379 3.727 1.00 0.00 N ATOM 672 NH2 ARG A 44 -2.904 -16.538 3.822 1.00 0.00 N ATOM 0 H ARG A 44 0.088 -9.104 4.848 1.00 0.00 H new ATOM 0 HA ARG A 44 1.717 -11.430 5.815 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.919 -11.294 4.880 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.030 -11.775 3.449 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.731 -13.782 4.418 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.657 -13.150 6.051 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.381 -14.150 6.280 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.021 -13.011 5.111 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.624 -15.342 3.879 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.362 -13.385 3.823 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.509 -14.680 3.461 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.175 -17.230 3.993 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.841 -16.840 3.556 1.00 0.00 H new ATOM 686 N ILE A 45 2.010 -9.676 3.077 1.00 0.00 N ATOM 687 CA ILE A 45 2.924 -9.441 1.925 1.00 0.00 C ATOM 688 C ILE A 45 4.282 -8.960 2.439 1.00 0.00 C ATOM 689 O ILE A 45 5.311 -9.236 1.854 1.00 0.00 O ATOM 690 CB ILE A 45 2.320 -8.378 1.007 1.00 0.00 C ATOM 691 CG1 ILE A 45 1.040 -8.924 0.373 1.00 0.00 C ATOM 692 CG2 ILE A 45 3.322 -8.023 -0.092 1.00 0.00 C ATOM 693 CD1 ILE A 45 0.210 -7.767 -0.184 1.00 0.00 C ATOM 0 H ILE A 45 1.283 -8.972 3.207 1.00 0.00 H new ATOM 0 HA ILE A 45 3.056 -10.370 1.370 1.00 0.00 H new ATOM 0 HB ILE A 45 2.088 -7.485 1.587 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.287 -9.624 -0.425 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.462 -9.476 1.114 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.891 -7.265 -0.746 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.235 -7.636 0.360 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.555 -8.915 -0.674 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.702 -8.158 -0.636 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.049 -7.083 0.624 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.789 -7.234 -0.938 1.00 0.00 H new ATOM 705 N ARG A 46 4.294 -8.240 3.526 1.00 0.00 N ATOM 706 CA ARG A 46 5.586 -7.738 4.074 1.00 0.00 C ATOM 707 C ARG A 46 6.159 -8.753 5.068 1.00 0.00 C ATOM 708 O ARG A 46 6.960 -8.415 5.916 1.00 0.00 O ATOM 709 CB ARG A 46 5.350 -6.403 4.785 1.00 0.00 C ATOM 710 CG ARG A 46 6.671 -5.639 4.887 1.00 0.00 C ATOM 711 CD ARG A 46 6.499 -4.443 5.826 1.00 0.00 C ATOM 712 NE ARG A 46 5.755 -4.871 7.045 1.00 0.00 N ATOM 713 CZ ARG A 46 6.348 -4.861 8.208 1.00 0.00 C ATOM 714 NH1 ARG A 46 6.202 -3.839 9.007 1.00 0.00 N ATOM 715 NH2 ARG A 46 7.085 -5.874 8.573 1.00 0.00 N ATOM 0 H ARG A 46 3.465 -7.977 4.059 1.00 0.00 H new ATOM 0 HA ARG A 46 6.294 -7.599 3.257 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.617 -5.811 4.237 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.940 -6.576 5.780 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.456 -6.297 5.260 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.983 -5.298 3.900 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.474 -4.042 6.104 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.958 -3.644 5.319 1.00 0.00 H new ATOM 0 HE ARG A 46 4.783 -5.171 6.970 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.624 -3.048 8.723 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.666 -3.832 9.916 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.198 -6.673 7.950 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.548 -5.866 9.482 1.00 0.00 H new ATOM 729 N THR A 47 5.758 -9.990 4.976 1.00 0.00 N ATOM 730 CA THR A 47 6.287 -11.012 5.925 1.00 0.00 C ATOM 731 C THR A 47 6.854 -12.200 5.147 1.00 0.00 C ATOM 732 O THR A 47 7.996 -12.580 5.323 1.00 0.00 O ATOM 733 CB THR A 47 5.156 -11.494 6.838 1.00 0.00 C ATOM 734 OG1 THR A 47 4.559 -10.376 7.478 1.00 0.00 O ATOM 735 CG2 THR A 47 5.720 -12.448 7.893 1.00 0.00 C ATOM 0 H THR A 47 5.090 -10.338 4.288 1.00 0.00 H new ATOM 0 HA THR A 47 7.079 -10.566 6.527 1.00 0.00 H new ATOM 0 HB THR A 47 4.406 -12.017 6.244 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.596 -10.369 7.294 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.914 -12.790 8.542 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.178 -13.306 7.400 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.470 -11.929 8.489 1.00 0.00 H new ATOM 743 N ASP A 48 6.070 -12.794 4.291 1.00 0.00 N ATOM 744 CA ASP A 48 6.570 -13.961 3.512 1.00 0.00 C ATOM 745 C ASP A 48 6.857 -13.533 2.070 1.00 0.00 C ATOM 746 O ASP A 48 7.782 -14.011 1.444 1.00 0.00 O ATOM 747 CB ASP A 48 5.515 -15.069 3.516 1.00 0.00 C ATOM 748 CG ASP A 48 4.120 -14.448 3.429 1.00 0.00 C ATOM 749 OD1 ASP A 48 3.720 -14.088 2.335 1.00 0.00 O ATOM 750 OD2 ASP A 48 3.474 -14.342 4.459 1.00 0.00 O ATOM 0 H ASP A 48 5.106 -12.522 4.097 1.00 0.00 H new ATOM 0 HA ASP A 48 7.488 -14.332 3.968 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.677 -15.743 2.675 1.00 0.00 H new ATOM 0 HB3 ASP A 48 5.603 -15.666 4.424 1.00 0.00 H new ATOM 755 N GLU A 49 6.072 -12.637 1.536 1.00 0.00 N ATOM 756 CA GLU A 49 6.306 -12.185 0.135 1.00 0.00 C ATOM 757 C GLU A 49 7.433 -11.151 0.111 1.00 0.00 C ATOM 758 O GLU A 49 8.178 -11.006 1.059 1.00 0.00 O ATOM 759 CB GLU A 49 5.026 -11.560 -0.424 1.00 0.00 C ATOM 760 CG GLU A 49 4.826 -12.016 -1.871 1.00 0.00 C ATOM 761 CD GLU A 49 3.526 -12.814 -1.981 1.00 0.00 C ATOM 762 OE1 GLU A 49 2.671 -12.637 -1.129 1.00 0.00 O ATOM 763 OE2 GLU A 49 3.407 -13.588 -2.916 1.00 0.00 O ATOM 0 H GLU A 49 5.281 -12.199 2.008 1.00 0.00 H new ATOM 0 HA GLU A 49 6.587 -13.041 -0.478 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.170 -11.854 0.183 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.090 -10.473 -0.379 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.791 -11.152 -2.534 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.669 -12.629 -2.190 1.00 0.00 H new ATOM 770 N ASN A 50 7.564 -10.431 -0.970 1.00 0.00 N ATOM 771 CA ASN A 50 8.644 -9.407 -1.059 1.00 0.00 C ATOM 772 C ASN A 50 8.091 -8.039 -0.648 1.00 0.00 C ATOM 773 O ASN A 50 8.778 -7.039 -0.711 1.00 0.00 O ATOM 774 CB ASN A 50 9.161 -9.336 -2.499 1.00 0.00 C ATOM 775 CG ASN A 50 10.681 -9.151 -2.489 1.00 0.00 C ATOM 776 OD1 ASN A 50 11.261 -8.848 -1.467 1.00 0.00 O ATOM 777 ND2 ASN A 50 11.354 -9.321 -3.595 1.00 0.00 N ATOM 0 H ASN A 50 6.970 -10.508 -1.795 1.00 0.00 H new ATOM 0 HA ASN A 50 9.460 -9.683 -0.391 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.899 -10.248 -3.036 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.687 -8.508 -3.026 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.367 -9.199 -3.600 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.867 -9.576 -4.454 1.00 0.00 H new ATOM 784 N GLY A 51 6.856 -7.985 -0.228 1.00 0.00 N ATOM 785 CA GLY A 51 6.266 -6.678 0.184 1.00 0.00 C ATOM 786 C GLY A 51 6.315 -5.704 -0.995 1.00 0.00 C ATOM 787 O GLY A 51 6.280 -4.503 -0.822 1.00 0.00 O ATOM 0 H GLY A 51 6.231 -8.787 -0.152 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.236 -6.819 0.511 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.817 -6.269 1.031 1.00 0.00 H new ATOM 791 N LEU A 52 6.399 -6.214 -2.193 1.00 0.00 N ATOM 792 CA LEU A 52 6.454 -5.320 -3.383 1.00 0.00 C ATOM 793 C LEU A 52 5.034 -4.976 -3.837 1.00 0.00 C ATOM 794 O LEU A 52 4.061 -5.469 -3.302 1.00 0.00 O ATOM 795 CB LEU A 52 7.182 -6.039 -4.522 1.00 0.00 C ATOM 796 CG LEU A 52 8.692 -5.851 -4.379 1.00 0.00 C ATOM 797 CD1 LEU A 52 9.405 -6.610 -5.499 1.00 0.00 C ATOM 798 CD2 LEU A 52 9.032 -4.364 -4.479 1.00 0.00 C ATOM 0 H LEU A 52 6.432 -7.212 -2.399 1.00 0.00 H new ATOM 0 HA LEU A 52 6.984 -4.404 -3.121 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.937 -7.101 -4.508 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.848 -5.647 -5.483 1.00 0.00 H new ATOM 0 HG LEU A 52 9.017 -6.235 -3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 52 10.482 -6.478 -5.400 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.162 -7.670 -5.432 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.080 -6.224 -6.465 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.109 -4.229 -4.377 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.708 -3.981 -5.447 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.521 -3.820 -3.684 1.00 0.00 H new ATOM 810 N CYS A 53 4.911 -4.130 -4.823 1.00 0.00 N ATOM 811 CA CYS A 53 3.556 -3.748 -5.322 1.00 0.00 C ATOM 812 C CYS A 53 3.125 -4.703 -6.442 1.00 0.00 C ATOM 813 O CYS A 53 3.843 -4.885 -7.405 1.00 0.00 O ATOM 814 CB CYS A 53 3.602 -2.324 -5.878 1.00 0.00 C ATOM 815 SG CYS A 53 1.917 -1.694 -6.067 1.00 0.00 S ATOM 0 H CYS A 53 5.691 -3.685 -5.307 1.00 0.00 H new ATOM 0 HA CYS A 53 2.844 -3.805 -4.498 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.170 -1.679 -5.207 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.115 -2.314 -6.840 1.00 0.00 H new ATOM 0 HG CYS A 53 1.396 -1.489 -4.894 1.00 0.00 H new ATOM 820 N PRO A 54 1.957 -5.280 -6.290 1.00 0.00 N ATOM 821 CA PRO A 54 1.401 -6.212 -7.284 1.00 0.00 C ATOM 822 C PRO A 54 0.769 -5.436 -8.445 1.00 0.00 C ATOM 823 O PRO A 54 0.140 -6.005 -9.315 1.00 0.00 O ATOM 824 CB PRO A 54 0.328 -6.972 -6.501 1.00 0.00 C ATOM 825 CG PRO A 54 -0.065 -6.066 -5.308 1.00 0.00 C ATOM 826 CD PRO A 54 1.087 -5.064 -5.115 1.00 0.00 C ATOM 0 HA PRO A 54 2.152 -6.869 -7.723 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.537 -7.182 -7.131 1.00 0.00 H new ATOM 0 HB3 PRO A 54 0.709 -7.932 -6.151 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.001 -5.545 -5.510 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.218 -6.659 -4.406 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.720 -4.038 -5.075 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.623 -5.248 -4.184 1.00 0.00 H new ATOM 834 N ALA A 55 0.921 -4.138 -8.462 1.00 0.00 N ATOM 835 CA ALA A 55 0.318 -3.335 -9.563 1.00 0.00 C ATOM 836 C ALA A 55 1.406 -2.547 -10.298 1.00 0.00 C ATOM 837 O ALA A 55 1.502 -2.593 -11.508 1.00 0.00 O ATOM 838 CB ALA A 55 -0.709 -2.362 -8.979 1.00 0.00 C ATOM 0 H ALA A 55 1.435 -3.602 -7.763 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.171 -4.008 -10.268 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.151 -1.774 -9.783 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.491 -2.923 -8.467 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.217 -1.696 -8.270 1.00 0.00 H new ATOM 844 N CYS A 56 2.223 -1.819 -9.585 1.00 0.00 N ATOM 845 CA CYS A 56 3.291 -1.030 -10.263 1.00 0.00 C ATOM 846 C CYS A 56 4.659 -1.675 -10.008 1.00 0.00 C ATOM 847 O CYS A 56 5.663 -1.256 -10.548 1.00 0.00 O ATOM 848 CB CYS A 56 3.272 0.415 -9.737 1.00 0.00 C ATOM 849 SG CYS A 56 4.145 0.526 -8.152 1.00 0.00 S ATOM 0 H CYS A 56 2.198 -1.737 -8.569 1.00 0.00 H new ATOM 0 HA CYS A 56 3.109 -1.019 -11.338 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.740 1.079 -10.464 1.00 0.00 H new ATOM 0 HB3 CYS A 56 2.242 0.751 -9.616 1.00 0.00 H new ATOM 0 HG CYS A 56 3.456 -0.083 -7.233 1.00 0.00 H new ATOM 854 N ARG A 57 4.705 -2.691 -9.190 1.00 0.00 N ATOM 855 CA ARG A 57 6.006 -3.361 -8.903 1.00 0.00 C ATOM 856 C ARG A 57 6.951 -2.379 -8.206 1.00 0.00 C ATOM 857 O ARG A 57 7.922 -1.921 -8.774 1.00 0.00 O ATOM 858 CB ARG A 57 6.634 -3.838 -10.213 1.00 0.00 C ATOM 859 CG ARG A 57 6.198 -5.280 -10.485 1.00 0.00 C ATOM 860 CD ARG A 57 7.358 -6.056 -11.109 1.00 0.00 C ATOM 861 NE ARG A 57 8.474 -6.156 -10.126 1.00 0.00 N ATOM 862 CZ ARG A 57 9.236 -7.214 -10.110 1.00 0.00 C ATOM 863 NH1 ARG A 57 8.701 -8.404 -10.145 1.00 0.00 N ATOM 864 NH2 ARG A 57 10.533 -7.084 -10.057 1.00 0.00 N ATOM 0 H ARG A 57 3.898 -3.086 -8.708 1.00 0.00 H new ATOM 0 HA ARG A 57 5.835 -4.217 -8.250 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.326 -3.191 -11.034 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.721 -3.780 -10.152 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.885 -5.758 -9.556 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.338 -5.291 -11.154 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.027 -7.052 -11.402 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.700 -5.554 -12.014 1.00 0.00 H new ATOM 0 HE ARG A 57 8.642 -5.397 -9.466 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.687 -8.506 -10.185 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.297 -9.232 -10.133 1.00 0.00 H new ATOM 0 HH21 ARG A 57 10.952 -6.154 -10.028 1.00 0.00 H new ATOM 0 HH22 ARG A 57 11.128 -7.912 -10.044 1.00 0.00 H new ATOM 878 N LYS A 58 6.670 -2.063 -6.973 1.00 0.00 N ATOM 879 CA LYS A 58 7.539 -1.122 -6.216 1.00 0.00 C ATOM 880 C LYS A 58 7.534 -1.529 -4.742 1.00 0.00 C ATOM 881 O LYS A 58 6.580 -2.113 -4.269 1.00 0.00 O ATOM 882 CB LYS A 58 6.997 0.302 -6.354 1.00 0.00 C ATOM 883 CG LYS A 58 7.500 0.917 -7.662 1.00 0.00 C ATOM 884 CD LYS A 58 8.416 2.102 -7.349 1.00 0.00 C ATOM 885 CE LYS A 58 7.635 3.408 -7.516 1.00 0.00 C ATOM 886 NZ LYS A 58 7.755 3.882 -8.925 1.00 0.00 N ATOM 0 H LYS A 58 5.868 -2.420 -6.453 1.00 0.00 H new ATOM 0 HA LYS A 58 8.555 -1.157 -6.610 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.907 0.290 -6.341 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.319 0.908 -5.507 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.040 0.170 -8.244 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.657 1.246 -8.270 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.798 2.022 -6.331 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.279 2.094 -8.015 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.587 3.252 -7.261 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.020 4.165 -6.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.225 4.769 -9.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.757 4.046 -9.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.368 3.162 -9.568 1.00 0.00 H new ATOM 900 N PRO A 59 8.600 -1.214 -4.061 1.00 0.00 N ATOM 901 CA PRO A 59 8.744 -1.547 -2.636 1.00 0.00 C ATOM 902 C PRO A 59 7.904 -0.599 -1.776 1.00 0.00 C ATOM 903 O PRO A 59 8.136 0.594 -1.740 1.00 0.00 O ATOM 904 CB PRO A 59 10.242 -1.362 -2.372 1.00 0.00 C ATOM 905 CG PRO A 59 10.764 -0.413 -3.478 1.00 0.00 C ATOM 906 CD PRO A 59 9.755 -0.495 -4.639 1.00 0.00 C ATOM 0 HA PRO A 59 8.400 -2.552 -2.392 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.413 -0.937 -1.383 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.763 -2.319 -2.403 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.845 0.608 -3.106 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.759 -0.712 -3.807 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.472 0.497 -4.992 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.172 -1.030 -5.492 1.00 0.00 H new ATOM 914 N TYR A 60 6.927 -1.126 -1.086 1.00 0.00 N ATOM 915 CA TYR A 60 6.058 -0.269 -0.225 1.00 0.00 C ATOM 916 C TYR A 60 6.910 0.784 0.491 1.00 0.00 C ATOM 917 O TYR A 60 8.029 0.511 0.878 1.00 0.00 O ATOM 918 CB TYR A 60 5.361 -1.142 0.821 1.00 0.00 C ATOM 919 CG TYR A 60 4.561 -2.228 0.137 1.00 0.00 C ATOM 920 CD1 TYR A 60 4.246 -2.123 -1.224 1.00 0.00 C ATOM 921 CD2 TYR A 60 4.129 -3.341 0.869 1.00 0.00 C ATOM 922 CE1 TYR A 60 3.504 -3.128 -1.851 1.00 0.00 C ATOM 923 CE2 TYR A 60 3.386 -4.347 0.241 1.00 0.00 C ATOM 924 CZ TYR A 60 3.073 -4.241 -1.119 1.00 0.00 C ATOM 925 OH TYR A 60 2.338 -5.231 -1.738 1.00 0.00 O ATOM 0 H TYR A 60 6.692 -2.119 -1.082 1.00 0.00 H new ATOM 0 HA TYR A 60 5.316 0.228 -0.850 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.101 -1.588 1.486 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.704 -0.530 1.439 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.577 -1.264 -1.789 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.369 -3.423 1.919 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.263 -3.046 -2.901 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.054 -5.205 0.806 1.00 0.00 H new ATOM 0 HH TYR A 60 2.841 -5.583 -2.502 1.00 0.00 H new ATOM 935 N PRO A 61 6.353 1.961 0.649 1.00 0.00 N ATOM 936 CA PRO A 61 7.043 3.076 1.320 1.00 0.00 C ATOM 937 C PRO A 61 6.967 2.916 2.842 1.00 0.00 C ATOM 938 O PRO A 61 7.735 3.506 3.575 1.00 0.00 O ATOM 939 CB PRO A 61 6.260 4.309 0.862 1.00 0.00 C ATOM 940 CG PRO A 61 4.858 3.806 0.439 1.00 0.00 C ATOM 941 CD PRO A 61 4.990 2.292 0.174 1.00 0.00 C ATOM 0 HA PRO A 61 8.103 3.134 1.074 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.183 5.041 1.666 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.763 4.801 0.030 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.125 3.999 1.223 1.00 0.00 H new ATOM 0 HG3 PRO A 61 4.514 4.327 -0.455 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.231 1.725 0.713 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.869 2.060 -0.884 1.00 0.00 H new