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 -124:sc= -0.377 USER MOD Set 1.2: A 33 CYS SG : rot -132:sc= -0.701 USER MOD Set 1.3: A 53 CYS SG : rot 90:sc= 0.816 USER MOD Set 1.4: A 56 CYS SG : rot -64:sc= -2.41! USER MOD Set 2.1: A 14 CYS SG : rot 162:sc= -0.163! USER MOD Set 2.2: A 17 CYS SG : rot -72:sc= -0.334 USER MOD Set 2.3: A 38 CYS SG : rot -136:sc= 0.532 USER MOD Set 2.4: A 41 CYS SG : rot 155:sc= -1.91 USER MOD Single : A 18 MET CE :methyl 142:sc= 0 (180deg=-0.0241) USER MOD Single : A 27 ASN : amide:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 35 TYR OH : rot 180:sc= -0.0172 USER MOD Single : A 36 GLN : amide:sc= -12.4! C(o=-12!,f=-21!) USER MOD Single : A 43 HIS : no HD1:sc= -0.0707 X(o=-0.071,f=-0.32) USER MOD Single : A 47 THR OG1 : rot 142:sc= 0.769 USER MOD Single : A 50 ASN : amide:sc= -0.627 K(o=-0.63,f=-2.8!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 53:sc= 0.738 USER MOD ----------------------------------------------------------------- ATOM 165 N VAL A 12 -14.122 0.212 -3.309 1.00 0.00 N ATOM 166 CA VAL A 12 -13.033 0.397 -2.311 1.00 0.00 C ATOM 167 C VAL A 12 -12.821 -0.905 -1.536 1.00 0.00 C ATOM 168 O VAL A 12 -12.906 -0.940 -0.324 1.00 0.00 O ATOM 169 CB VAL A 12 -13.419 1.511 -1.340 1.00 0.00 C ATOM 170 CG1 VAL A 12 -14.560 1.024 -0.456 1.00 0.00 C ATOM 171 CG2 VAL A 12 -12.213 1.871 -0.468 1.00 0.00 C ATOM 0 HA VAL A 12 -12.110 0.665 -2.826 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.735 2.393 -1.897 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -14.843 1.813 0.241 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -15.417 0.765 -1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.238 0.145 0.102 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.489 2.666 0.225 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.896 0.993 0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.394 2.211 -1.102 1.00 0.00 H new ATOM 181 N GLU A 13 -12.544 -1.978 -2.226 1.00 0.00 N ATOM 182 CA GLU A 13 -12.327 -3.278 -1.529 1.00 0.00 C ATOM 183 C GLU A 13 -10.946 -3.833 -1.890 1.00 0.00 C ATOM 184 O GLU A 13 -10.532 -3.802 -3.031 1.00 0.00 O ATOM 185 CB GLU A 13 -13.401 -4.278 -1.961 1.00 0.00 C ATOM 186 CG GLU A 13 -14.789 -3.684 -1.713 1.00 0.00 C ATOM 187 CD GLU A 13 -15.848 -4.580 -2.356 1.00 0.00 C ATOM 188 OE1 GLU A 13 -16.146 -4.370 -3.521 1.00 0.00 O ATOM 189 OE2 GLU A 13 -16.345 -5.461 -1.673 1.00 0.00 O ATOM 0 H GLU A 13 -12.459 -2.011 -3.242 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.386 -3.120 -0.452 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.282 -4.520 -3.017 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.289 -5.209 -1.406 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.973 -3.596 -0.642 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.846 -2.678 -2.130 1.00 0.00 H new ATOM 196 N CYS A 14 -10.237 -4.347 -0.922 1.00 0.00 N ATOM 197 CA CYS A 14 -8.888 -4.912 -1.197 1.00 0.00 C ATOM 198 C CYS A 14 -8.963 -5.831 -2.425 1.00 0.00 C ATOM 199 O CYS A 14 -9.641 -6.838 -2.395 1.00 0.00 O ATOM 200 CB CYS A 14 -8.432 -5.723 0.017 1.00 0.00 C ATOM 201 SG CYS A 14 -6.763 -6.359 -0.270 1.00 0.00 S ATOM 0 H CYS A 14 -10.537 -4.399 0.052 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.180 -4.106 -1.390 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.445 -5.098 0.910 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.121 -6.549 0.195 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.229 -6.702 0.864 1.00 0.00 H new ATOM 206 N PRO A 15 -8.271 -5.456 -3.473 1.00 0.00 N ATOM 207 CA PRO A 15 -8.250 -6.231 -4.728 1.00 0.00 C ATOM 208 C PRO A 15 -7.292 -7.426 -4.619 1.00 0.00 C ATOM 209 O PRO A 15 -6.978 -8.066 -5.603 1.00 0.00 O ATOM 210 CB PRO A 15 -7.738 -5.225 -5.761 1.00 0.00 C ATOM 211 CG PRO A 15 -6.965 -4.142 -4.971 1.00 0.00 C ATOM 212 CD PRO A 15 -7.455 -4.225 -3.513 1.00 0.00 C ATOM 0 HA PRO A 15 -9.224 -6.648 -4.982 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.089 -5.712 -6.489 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -8.565 -4.784 -6.317 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.890 -4.314 -5.029 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -7.152 -3.152 -5.387 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.620 -4.278 -2.815 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.043 -3.349 -3.240 1.00 0.00 H new ATOM 220 N LEU A 16 -6.823 -7.732 -3.440 1.00 0.00 N ATOM 221 CA LEU A 16 -5.888 -8.885 -3.291 1.00 0.00 C ATOM 222 C LEU A 16 -6.576 -10.012 -2.520 1.00 0.00 C ATOM 223 O LEU A 16 -6.239 -11.171 -2.665 1.00 0.00 O ATOM 224 CB LEU A 16 -4.638 -8.440 -2.528 1.00 0.00 C ATOM 225 CG LEU A 16 -4.269 -7.013 -2.932 1.00 0.00 C ATOM 226 CD1 LEU A 16 -3.081 -6.536 -2.096 1.00 0.00 C ATOM 227 CD2 LEU A 16 -3.888 -6.986 -4.413 1.00 0.00 C ATOM 0 H LEU A 16 -7.045 -7.236 -2.577 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.603 -9.243 -4.280 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.819 -8.489 -1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.809 -9.115 -2.743 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.122 -6.356 -2.761 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.818 -5.518 -2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.348 -6.556 -1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.228 -7.193 -2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.625 -5.969 -4.702 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.035 -7.644 -4.581 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.732 -7.327 -5.012 1.00 0.00 H new ATOM 239 N CYS A 17 -7.536 -9.688 -1.698 1.00 0.00 N ATOM 240 CA CYS A 17 -8.237 -10.749 -0.920 1.00 0.00 C ATOM 241 C CYS A 17 -9.750 -10.532 -1.003 1.00 0.00 C ATOM 242 O CYS A 17 -10.525 -11.297 -0.466 1.00 0.00 O ATOM 243 CB CYS A 17 -7.781 -10.694 0.542 1.00 0.00 C ATOM 244 SG CYS A 17 -8.474 -9.228 1.346 1.00 0.00 S ATOM 0 H CYS A 17 -7.865 -8.737 -1.531 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.994 -11.727 -1.336 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.102 -11.594 1.067 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.692 -10.667 0.592 1.00 0.00 H new ATOM 0 HG CYS A 17 -7.870 -8.165 0.904 1.00 0.00 H new ATOM 249 N MET A 18 -10.170 -9.495 -1.679 1.00 0.00 N ATOM 250 CA MET A 18 -11.627 -9.206 -1.824 1.00 0.00 C ATOM 251 C MET A 18 -12.171 -8.499 -0.575 1.00 0.00 C ATOM 252 O MET A 18 -13.097 -7.717 -0.657 1.00 0.00 O ATOM 253 CB MET A 18 -12.403 -10.507 -2.055 1.00 0.00 C ATOM 254 CG MET A 18 -11.688 -11.348 -3.114 1.00 0.00 C ATOM 255 SD MET A 18 -12.391 -10.986 -4.743 1.00 0.00 S ATOM 256 CE MET A 18 -13.821 -12.086 -4.621 1.00 0.00 C ATOM 0 H MET A 18 -9.556 -8.826 -2.144 1.00 0.00 H new ATOM 0 HA MET A 18 -11.757 -8.548 -2.683 1.00 0.00 H new ATOM 0 HB2 MET A 18 -12.481 -11.067 -1.123 1.00 0.00 H new ATOM 0 HB3 MET A 18 -13.420 -10.284 -2.378 1.00 0.00 H new ATOM 0 HG2 MET A 18 -10.620 -11.128 -3.109 1.00 0.00 H new ATOM 0 HG3 MET A 18 -11.796 -12.408 -2.886 1.00 0.00 H new ATOM 0 HE1 MET A 18 -14.685 -11.612 -5.086 1.00 0.00 H new ATOM 0 HE2 MET A 18 -13.603 -13.024 -5.132 1.00 0.00 H new ATOM 0 HE3 MET A 18 -14.038 -12.286 -3.572 1.00 0.00 H new ATOM 266 N GLU A 19 -11.615 -8.758 0.578 1.00 0.00 N ATOM 267 CA GLU A 19 -12.119 -8.087 1.809 1.00 0.00 C ATOM 268 C GLU A 19 -12.227 -6.584 1.544 1.00 0.00 C ATOM 269 O GLU A 19 -11.332 -6.000 0.972 1.00 0.00 O ATOM 270 CB GLU A 19 -11.143 -8.336 2.961 1.00 0.00 C ATOM 271 CG GLU A 19 -11.739 -7.798 4.263 1.00 0.00 C ATOM 272 CD GLU A 19 -10.618 -7.527 5.267 1.00 0.00 C ATOM 273 OE1 GLU A 19 -9.474 -7.473 4.846 1.00 0.00 O ATOM 274 OE2 GLU A 19 -10.921 -7.377 6.439 1.00 0.00 O ATOM 0 H GLU A 19 -10.837 -9.402 0.720 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.098 -8.486 2.076 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.940 -9.403 3.055 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.190 -7.848 2.756 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.296 -6.881 4.068 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.445 -8.518 4.676 1.00 0.00 H new ATOM 281 N PRO A 20 -13.321 -5.999 1.961 1.00 0.00 N ATOM 282 CA PRO A 20 -13.566 -4.559 1.768 1.00 0.00 C ATOM 283 C PRO A 20 -12.750 -3.730 2.764 1.00 0.00 C ATOM 284 O PRO A 20 -12.260 -4.235 3.754 1.00 0.00 O ATOM 285 CB PRO A 20 -15.066 -4.410 2.032 1.00 0.00 C ATOM 286 CG PRO A 20 -15.478 -5.626 2.894 1.00 0.00 C ATOM 287 CD PRO A 20 -14.410 -6.710 2.661 1.00 0.00 C ATOM 0 HA PRO A 20 -13.274 -4.208 0.778 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -15.278 -3.475 2.551 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -15.625 -4.389 1.097 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.531 -5.354 3.948 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.466 -5.987 2.608 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.066 -7.139 3.602 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -14.800 -7.531 2.060 1.00 0.00 H new ATOM 295 N LEU A 21 -12.601 -2.459 2.505 1.00 0.00 N ATOM 296 CA LEU A 21 -11.820 -1.593 3.430 1.00 0.00 C ATOM 297 C LEU A 21 -12.752 -1.003 4.490 1.00 0.00 C ATOM 298 O LEU A 21 -13.889 -1.407 4.629 1.00 0.00 O ATOM 299 CB LEU A 21 -11.179 -0.450 2.640 1.00 0.00 C ATOM 300 CG LEU A 21 -10.083 -1.004 1.733 1.00 0.00 C ATOM 301 CD1 LEU A 21 -9.983 -0.142 0.473 1.00 0.00 C ATOM 302 CD2 LEU A 21 -8.748 -0.970 2.476 1.00 0.00 C ATOM 0 H LEU A 21 -12.988 -1.983 1.690 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.045 -2.190 3.912 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.934 0.061 2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.760 0.288 3.324 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.322 -2.031 1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.201 -0.536 -0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.936 -0.159 -0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.741 0.883 0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.963 -1.365 1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.510 0.058 2.750 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.818 -1.579 3.378 1.00 0.00 H new ATOM 314 N GLU A 22 -12.274 -0.043 5.234 1.00 0.00 N ATOM 315 CA GLU A 22 -13.122 0.588 6.283 1.00 0.00 C ATOM 316 C GLU A 22 -13.110 2.106 6.089 1.00 0.00 C ATOM 317 O GLU A 22 -12.885 2.596 5.003 1.00 0.00 O ATOM 318 CB GLU A 22 -12.565 0.242 7.666 1.00 0.00 C ATOM 319 CG GLU A 22 -13.656 -0.429 8.502 1.00 0.00 C ATOM 320 CD GLU A 22 -13.066 -0.892 9.834 1.00 0.00 C ATOM 321 OE1 GLU A 22 -12.387 -1.904 9.839 1.00 0.00 O ATOM 322 OE2 GLU A 22 -13.304 -0.226 10.828 1.00 0.00 O ATOM 0 H GLU A 22 -11.329 0.332 5.159 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.144 0.217 6.204 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.707 -0.423 7.568 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.214 1.145 8.165 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.475 0.269 8.678 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -14.072 -1.279 7.961 1.00 0.00 H new ATOM 329 N ILE A 23 -13.354 2.855 7.129 1.00 0.00 N ATOM 330 CA ILE A 23 -13.357 4.338 6.993 1.00 0.00 C ATOM 331 C ILE A 23 -11.944 4.884 7.231 1.00 0.00 C ATOM 332 O ILE A 23 -11.414 5.627 6.428 1.00 0.00 O ATOM 333 CB ILE A 23 -14.322 4.937 8.023 1.00 0.00 C ATOM 334 CG1 ILE A 23 -15.763 4.728 7.552 1.00 0.00 C ATOM 335 CG2 ILE A 23 -14.055 6.436 8.176 1.00 0.00 C ATOM 336 CD1 ILE A 23 -16.211 3.304 7.885 1.00 0.00 C ATOM 0 H ILE A 23 -13.551 2.504 8.066 1.00 0.00 H new ATOM 0 HA ILE A 23 -13.679 4.611 5.988 1.00 0.00 H new ATOM 0 HB ILE A 23 -14.172 4.443 8.983 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -16.422 5.450 8.035 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -15.834 4.900 6.478 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -14.744 6.855 8.909 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -13.030 6.591 8.512 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -14.201 6.931 7.216 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -17.237 3.157 7.549 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -15.559 2.590 7.382 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -16.156 3.148 8.962 1.00 0.00 H new ATOM 348 N ASP A 24 -11.335 4.535 8.332 1.00 0.00 N ATOM 349 CA ASP A 24 -9.964 5.050 8.622 1.00 0.00 C ATOM 350 C ASP A 24 -8.913 4.185 7.918 1.00 0.00 C ATOM 351 O ASP A 24 -7.727 4.416 8.043 1.00 0.00 O ATOM 352 CB ASP A 24 -9.719 5.017 10.133 1.00 0.00 C ATOM 353 CG ASP A 24 -10.008 3.612 10.665 1.00 0.00 C ATOM 354 OD1 ASP A 24 -9.964 2.681 9.878 1.00 0.00 O ATOM 355 OD2 ASP A 24 -10.269 3.492 11.851 1.00 0.00 O ATOM 0 H ASP A 24 -11.726 3.917 9.043 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.884 6.073 8.256 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.688 5.295 10.351 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.358 5.745 10.632 1.00 0.00 H new ATOM 360 N ASP A 25 -9.332 3.194 7.181 1.00 0.00 N ATOM 361 CA ASP A 25 -8.342 2.326 6.477 1.00 0.00 C ATOM 362 C ASP A 25 -8.234 2.756 5.013 1.00 0.00 C ATOM 363 O ASP A 25 -7.245 2.505 4.353 1.00 0.00 O ATOM 364 CB ASP A 25 -8.802 0.868 6.546 1.00 0.00 C ATOM 365 CG ASP A 25 -8.697 0.364 7.987 1.00 0.00 C ATOM 366 OD1 ASP A 25 -7.662 0.581 8.596 1.00 0.00 O ATOM 367 OD2 ASP A 25 -9.654 -0.228 8.457 1.00 0.00 O ATOM 0 H ASP A 25 -10.311 2.947 7.035 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.368 2.424 6.957 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.830 0.784 6.195 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.189 0.251 5.889 1.00 0.00 H new ATOM 372 N ILE A 26 -9.244 3.399 4.499 1.00 0.00 N ATOM 373 CA ILE A 26 -9.201 3.843 3.076 1.00 0.00 C ATOM 374 C ILE A 26 -7.894 4.601 2.815 1.00 0.00 C ATOM 375 O ILE A 26 -7.425 4.678 1.696 1.00 0.00 O ATOM 376 CB ILE A 26 -10.408 4.751 2.800 1.00 0.00 C ATOM 377 CG1 ILE A 26 -11.637 3.882 2.527 1.00 0.00 C ATOM 378 CG2 ILE A 26 -10.140 5.637 1.581 1.00 0.00 C ATOM 379 CD1 ILE A 26 -12.873 4.772 2.379 1.00 0.00 C ATOM 0 H ILE A 26 -10.099 3.637 5.002 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.242 2.979 2.413 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.581 5.386 3.669 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.487 3.297 1.620 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.782 3.173 3.342 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.005 6.275 1.398 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.264 6.258 1.768 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.960 5.010 0.708 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.747 4.151 2.185 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -13.027 5.337 3.298 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.727 5.463 1.549 1.00 0.00 H new ATOM 391 N ASN A 27 -7.303 5.161 3.834 1.00 0.00 N ATOM 392 CA ASN A 27 -6.029 5.910 3.636 1.00 0.00 C ATOM 393 C ASN A 27 -4.851 5.015 4.019 1.00 0.00 C ATOM 394 O ASN A 27 -3.894 5.456 4.623 1.00 0.00 O ATOM 395 CB ASN A 27 -6.027 7.158 4.523 1.00 0.00 C ATOM 396 CG ASN A 27 -7.450 7.707 4.645 1.00 0.00 C ATOM 397 OD1 ASN A 27 -7.890 8.479 3.815 1.00 0.00 O ATOM 398 ND2 ASN A 27 -8.194 7.342 5.653 1.00 0.00 N ATOM 0 H ASN A 27 -7.646 5.133 4.794 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.940 6.206 2.591 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.635 6.913 5.510 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.369 7.917 4.098 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -9.143 7.704 5.744 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.826 6.694 6.350 1.00 0.00 H new ATOM 405 N PHE A 28 -4.912 3.758 3.672 1.00 0.00 N ATOM 406 CA PHE A 28 -3.795 2.836 4.017 1.00 0.00 C ATOM 407 C PHE A 28 -3.400 2.026 2.781 1.00 0.00 C ATOM 408 O PHE A 28 -4.066 1.082 2.405 1.00 0.00 O ATOM 409 CB PHE A 28 -4.243 1.885 5.126 1.00 0.00 C ATOM 410 CG PHE A 28 -3.156 0.870 5.379 1.00 0.00 C ATOM 411 CD1 PHE A 28 -2.103 1.174 6.249 1.00 0.00 C ATOM 412 CD2 PHE A 28 -3.200 -0.373 4.739 1.00 0.00 C ATOM 413 CE1 PHE A 28 -1.094 0.232 6.481 1.00 0.00 C ATOM 414 CE2 PHE A 28 -2.191 -1.316 4.970 1.00 0.00 C ATOM 415 CZ PHE A 28 -1.138 -1.013 5.841 1.00 0.00 C ATOM 0 H PHE A 28 -5.687 3.331 3.165 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.939 3.417 4.359 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.454 2.444 6.038 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.167 1.382 4.839 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -2.069 2.135 6.741 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.012 -0.605 4.066 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.282 0.465 7.153 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -2.225 -2.276 4.477 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.359 -1.740 6.020 1.00 0.00 H new ATOM 425 N PHE A 29 -2.320 2.389 2.147 1.00 0.00 N ATOM 426 CA PHE A 29 -1.877 1.645 0.932 1.00 0.00 C ATOM 427 C PHE A 29 -0.397 1.286 1.071 1.00 0.00 C ATOM 428 O PHE A 29 0.387 2.081 1.549 1.00 0.00 O ATOM 429 CB PHE A 29 -2.063 2.530 -0.304 1.00 0.00 C ATOM 430 CG PHE A 29 -1.857 3.974 0.078 1.00 0.00 C ATOM 431 CD1 PHE A 29 -0.564 4.464 0.311 1.00 0.00 C ATOM 432 CD2 PHE A 29 -2.963 4.819 0.211 1.00 0.00 C ATOM 433 CE1 PHE A 29 -0.384 5.805 0.677 1.00 0.00 C ATOM 434 CE2 PHE A 29 -2.784 6.157 0.576 1.00 0.00 C ATOM 435 CZ PHE A 29 -1.493 6.650 0.810 1.00 0.00 C ATOM 0 H PHE A 29 -1.723 3.170 2.418 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.470 0.737 0.826 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.354 2.243 -1.080 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.062 2.391 -0.718 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.290 3.811 0.209 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.957 4.438 0.032 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.610 6.187 0.857 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.639 6.809 0.677 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.353 7.683 1.093 1.00 0.00 H new ATOM 445 N PRO A 30 -0.053 0.100 0.637 1.00 0.00 N ATOM 446 CA PRO A 30 1.333 -0.380 0.693 1.00 0.00 C ATOM 447 C PRO A 30 2.142 0.240 -0.446 1.00 0.00 C ATOM 448 O PRO A 30 3.351 0.202 -0.447 1.00 0.00 O ATOM 449 CB PRO A 30 1.202 -1.893 0.511 1.00 0.00 C ATOM 450 CG PRO A 30 -0.156 -2.130 -0.191 1.00 0.00 C ATOM 451 CD PRO A 30 -1.005 -0.867 0.055 1.00 0.00 C ATOM 0 HA PRO A 30 1.846 -0.117 1.618 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.023 -2.285 -0.089 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.237 -2.405 1.473 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.016 -2.301 -1.258 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.651 -3.014 0.211 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.438 -0.491 -0.872 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.833 -1.069 0.735 1.00 0.00 H new ATOM 459 N CYS A 31 1.477 0.819 -1.411 1.00 0.00 N ATOM 460 CA CYS A 31 2.207 1.449 -2.548 1.00 0.00 C ATOM 461 C CYS A 31 1.695 2.877 -2.753 1.00 0.00 C ATOM 462 O CYS A 31 0.587 3.208 -2.378 1.00 0.00 O ATOM 463 CB CYS A 31 1.974 0.636 -3.820 1.00 0.00 C ATOM 464 SG CYS A 31 3.096 1.218 -5.115 1.00 0.00 S ATOM 0 H CYS A 31 0.460 0.882 -1.460 1.00 0.00 H new ATOM 0 HA CYS A 31 3.274 1.473 -2.325 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.143 -0.423 -3.625 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.939 0.738 -4.146 1.00 0.00 H new ATOM 0 HG CYS A 31 2.407 1.573 -6.159 1.00 0.00 H new ATOM 469 N THR A 32 2.495 3.728 -3.338 1.00 0.00 N ATOM 470 CA THR A 32 2.052 5.135 -3.555 1.00 0.00 C ATOM 471 C THR A 32 1.177 5.227 -4.809 1.00 0.00 C ATOM 472 O THR A 32 0.288 6.050 -4.891 1.00 0.00 O ATOM 473 CB THR A 32 3.276 6.040 -3.718 1.00 0.00 C ATOM 474 OG1 THR A 32 4.421 5.244 -3.991 1.00 0.00 O ATOM 475 CG2 THR A 32 3.499 6.834 -2.431 1.00 0.00 C ATOM 0 H THR A 32 3.433 3.510 -3.674 1.00 0.00 H new ATOM 0 HA THR A 32 1.470 5.459 -2.692 1.00 0.00 H new ATOM 0 HB THR A 32 3.110 6.731 -4.545 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.204 5.823 -4.097 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.371 7.478 -2.547 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.621 7.445 -2.224 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.665 6.145 -1.603 1.00 0.00 H new ATOM 483 N CYS A 33 1.418 4.401 -5.793 1.00 0.00 N ATOM 484 CA CYS A 33 0.587 4.472 -7.030 1.00 0.00 C ATOM 485 C CYS A 33 -0.892 4.573 -6.642 1.00 0.00 C ATOM 486 O CYS A 33 -1.666 5.247 -7.292 1.00 0.00 O ATOM 487 CB CYS A 33 0.821 3.229 -7.895 1.00 0.00 C ATOM 488 SG CYS A 33 0.029 1.789 -7.141 1.00 0.00 S ATOM 0 H CYS A 33 2.147 3.687 -5.794 1.00 0.00 H new ATOM 0 HA CYS A 33 0.871 5.353 -7.605 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.420 3.392 -8.895 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.890 3.049 -8.005 1.00 0.00 H new ATOM 0 HG CYS A 33 0.866 0.794 -7.121 1.00 0.00 H new ATOM 493 N GLY A 34 -1.287 3.924 -5.579 1.00 0.00 N ATOM 494 CA GLY A 34 -2.714 4.007 -5.149 1.00 0.00 C ATOM 495 C GLY A 34 -3.355 2.616 -5.130 1.00 0.00 C ATOM 496 O GLY A 34 -4.561 2.485 -5.197 1.00 0.00 O ATOM 0 H GLY A 34 -0.688 3.343 -4.993 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.775 4.455 -4.157 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.266 4.658 -5.827 1.00 0.00 H new ATOM 500 N TYR A 35 -2.574 1.574 -5.024 1.00 0.00 N ATOM 501 CA TYR A 35 -3.176 0.210 -4.983 1.00 0.00 C ATOM 502 C TYR A 35 -3.525 -0.128 -3.532 1.00 0.00 C ATOM 503 O TYR A 35 -3.216 -1.192 -3.032 1.00 0.00 O ATOM 504 CB TYR A 35 -2.188 -0.819 -5.540 1.00 0.00 C ATOM 505 CG TYR A 35 -2.959 -1.955 -6.172 1.00 0.00 C ATOM 506 CD1 TYR A 35 -4.010 -1.678 -7.054 1.00 0.00 C ATOM 507 CD2 TYR A 35 -2.624 -3.282 -5.874 1.00 0.00 C ATOM 508 CE1 TYR A 35 -4.726 -2.729 -7.640 1.00 0.00 C ATOM 509 CE2 TYR A 35 -3.342 -4.332 -6.460 1.00 0.00 C ATOM 510 CZ TYR A 35 -4.392 -4.056 -7.344 1.00 0.00 C ATOM 511 OH TYR A 35 -5.100 -5.091 -7.920 1.00 0.00 O ATOM 0 H TYR A 35 -1.556 1.607 -4.965 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.078 0.186 -5.595 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.535 -0.352 -6.277 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.549 -1.197 -4.742 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.268 -0.655 -7.282 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.813 -3.495 -5.193 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.537 -2.516 -8.321 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -3.085 -5.356 -6.230 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.739 -5.947 -7.609 1.00 0.00 H new ATOM 521 N GLN A 36 -4.165 0.787 -2.856 1.00 0.00 N ATOM 522 CA GLN A 36 -4.548 0.565 -1.433 1.00 0.00 C ATOM 523 C GLN A 36 -5.126 -0.839 -1.252 1.00 0.00 C ATOM 524 O GLN A 36 -5.739 -1.393 -2.143 1.00 0.00 O ATOM 525 CB GLN A 36 -5.604 1.602 -1.045 1.00 0.00 C ATOM 526 CG GLN A 36 -5.931 1.480 0.443 1.00 0.00 C ATOM 527 CD GLN A 36 -7.367 1.950 0.680 1.00 0.00 C ATOM 528 OE1 GLN A 36 -8.068 1.410 1.512 1.00 0.00 O ATOM 529 NE2 GLN A 36 -7.838 2.941 -0.027 1.00 0.00 N ATOM 0 H GLN A 36 -4.443 1.692 -3.236 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.667 0.664 -0.800 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.239 2.605 -1.265 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.507 1.454 -1.638 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.815 0.447 0.770 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.237 2.080 1.031 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.249 3.394 -0.726 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.795 3.262 0.119 1.00 0.00 H new ATOM 538 N ILE A 37 -4.939 -1.412 -0.094 1.00 0.00 N ATOM 539 CA ILE A 37 -5.479 -2.775 0.168 1.00 0.00 C ATOM 540 C ILE A 37 -5.879 -2.879 1.641 1.00 0.00 C ATOM 541 O ILE A 37 -5.975 -1.890 2.340 1.00 0.00 O ATOM 542 CB ILE A 37 -4.407 -3.824 -0.133 1.00 0.00 C ATOM 543 CG1 ILE A 37 -3.147 -3.501 0.669 1.00 0.00 C ATOM 544 CG2 ILE A 37 -4.074 -3.817 -1.625 1.00 0.00 C ATOM 545 CD1 ILE A 37 -2.446 -4.802 1.062 1.00 0.00 C ATOM 0 H ILE A 37 -4.433 -0.992 0.685 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.346 -2.950 -0.470 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.780 -4.810 0.145 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.476 -2.878 0.077 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.407 -2.931 1.561 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -3.310 -4.567 -1.831 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.972 -4.047 -2.199 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.703 -2.833 -1.910 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.547 -4.572 1.634 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.118 -5.408 1.670 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.173 -5.354 0.163 1.00 0.00 H new ATOM 557 N CYS A 38 -6.106 -4.071 2.118 1.00 0.00 N ATOM 558 CA CYS A 38 -6.490 -4.248 3.543 1.00 0.00 C ATOM 559 C CYS A 38 -5.222 -4.447 4.383 1.00 0.00 C ATOM 560 O CYS A 38 -4.194 -4.856 3.879 1.00 0.00 O ATOM 561 CB CYS A 38 -7.421 -5.463 3.669 1.00 0.00 C ATOM 562 SG CYS A 38 -6.461 -6.999 3.586 1.00 0.00 S ATOM 0 H CYS A 38 -6.041 -4.934 1.578 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.017 -3.365 3.905 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.966 -5.417 4.612 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.163 -5.446 2.871 1.00 0.00 H new ATOM 0 HG CYS A 38 -7.066 -7.847 2.809 1.00 0.00 H new ATOM 567 N ARG A 39 -5.278 -4.157 5.655 1.00 0.00 N ATOM 568 CA ARG A 39 -4.067 -4.326 6.511 1.00 0.00 C ATOM 569 C ARG A 39 -3.766 -5.816 6.704 1.00 0.00 C ATOM 570 O ARG A 39 -2.742 -6.185 7.244 1.00 0.00 O ATOM 571 CB ARG A 39 -4.310 -3.677 7.876 1.00 0.00 C ATOM 572 CG ARG A 39 -4.844 -2.257 7.680 1.00 0.00 C ATOM 573 CD ARG A 39 -4.772 -1.499 9.006 1.00 0.00 C ATOM 574 NE ARG A 39 -5.474 -2.281 10.063 1.00 0.00 N ATOM 575 CZ ARG A 39 -6.595 -2.890 9.788 1.00 0.00 C ATOM 576 NH1 ARG A 39 -7.426 -2.367 8.928 1.00 0.00 N ATOM 577 NH2 ARG A 39 -6.884 -4.022 10.369 1.00 0.00 N ATOM 0 H ARG A 39 -6.107 -3.811 6.138 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.217 -3.848 6.023 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.023 -4.269 8.450 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.383 -3.652 8.449 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.259 -1.739 6.920 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.873 -2.290 7.323 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.732 -1.337 9.289 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.231 -0.516 8.901 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.078 -2.340 11.001 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.199 -1.483 8.472 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.302 -2.842 8.712 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.233 -4.432 11.039 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.761 -4.497 10.153 1.00 0.00 H new ATOM 591 N PHE A 40 -4.646 -6.673 6.271 1.00 0.00 N ATOM 592 CA PHE A 40 -4.404 -8.136 6.434 1.00 0.00 C ATOM 593 C PHE A 40 -3.592 -8.658 5.246 1.00 0.00 C ATOM 594 O PHE A 40 -3.000 -9.717 5.304 1.00 0.00 O ATOM 595 CB PHE A 40 -5.748 -8.866 6.493 1.00 0.00 C ATOM 596 CG PHE A 40 -5.636 -10.059 7.412 1.00 0.00 C ATOM 597 CD1 PHE A 40 -5.004 -9.931 8.654 1.00 0.00 C ATOM 598 CD2 PHE A 40 -6.166 -11.293 7.020 1.00 0.00 C ATOM 599 CE1 PHE A 40 -4.902 -11.038 9.505 1.00 0.00 C ATOM 600 CE2 PHE A 40 -6.064 -12.401 7.870 1.00 0.00 C ATOM 601 CZ PHE A 40 -5.431 -12.274 9.112 1.00 0.00 C ATOM 0 H PHE A 40 -5.522 -6.426 5.811 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.849 -8.313 7.355 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -6.525 -8.190 6.851 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.042 -9.190 5.494 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.595 -8.978 8.956 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -6.654 -11.391 6.062 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.416 -10.939 10.464 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -6.474 -13.353 7.567 1.00 0.00 H new ATOM 0 HZ PHE A 40 -5.351 -13.129 9.767 1.00 0.00 H new ATOM 611 N CYS A 41 -3.563 -7.921 4.170 1.00 0.00 N ATOM 612 CA CYS A 41 -2.795 -8.367 2.974 1.00 0.00 C ATOM 613 C CYS A 41 -1.369 -7.812 3.040 1.00 0.00 C ATOM 614 O CYS A 41 -0.454 -8.350 2.448 1.00 0.00 O ATOM 615 CB CYS A 41 -3.486 -7.854 1.707 1.00 0.00 C ATOM 616 SG CYS A 41 -4.691 -9.080 1.136 1.00 0.00 S ATOM 0 H CYS A 41 -4.040 -7.025 4.068 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.756 -9.456 2.954 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -3.984 -6.906 1.910 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -2.747 -7.665 0.928 1.00 0.00 H new ATOM 0 HG CYS A 41 -5.617 -8.488 0.442 1.00 0.00 H new ATOM 621 N TRP A 42 -1.175 -6.732 3.748 1.00 0.00 N ATOM 622 CA TRP A 42 0.188 -6.136 3.843 1.00 0.00 C ATOM 623 C TRP A 42 0.968 -6.789 4.988 1.00 0.00 C ATOM 624 O TRP A 42 2.179 -6.712 5.045 1.00 0.00 O ATOM 625 CB TRP A 42 0.065 -4.632 4.099 1.00 0.00 C ATOM 626 CG TRP A 42 1.410 -4.070 4.425 1.00 0.00 C ATOM 627 CD1 TRP A 42 2.331 -3.678 3.515 1.00 0.00 C ATOM 628 CD2 TRP A 42 2.001 -3.831 5.735 1.00 0.00 C ATOM 629 NE1 TRP A 42 3.451 -3.214 4.182 1.00 0.00 N ATOM 630 CE2 TRP A 42 3.295 -3.290 5.554 1.00 0.00 C ATOM 631 CE3 TRP A 42 1.542 -4.032 7.049 1.00 0.00 C ATOM 632 CZ2 TRP A 42 4.106 -2.957 6.641 1.00 0.00 C ATOM 633 CZ3 TRP A 42 2.354 -3.700 8.144 1.00 0.00 C ATOM 634 CH2 TRP A 42 3.634 -3.164 7.941 1.00 0.00 C ATOM 0 H TRP A 42 -1.902 -6.237 4.265 1.00 0.00 H new ATOM 0 HA TRP A 42 0.721 -6.308 2.908 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.345 -4.135 3.220 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.627 -4.448 4.921 1.00 0.00 H new ATOM 0 HD1 TRP A 42 2.212 -3.720 2.442 1.00 0.00 H new ATOM 0 HE1 TRP A 42 4.288 -2.860 3.719 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.558 -4.445 7.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 5.090 -2.543 6.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.991 -3.858 9.149 1.00 0.00 H new ATOM 0 HH2 TRP A 42 4.255 -2.911 8.788 1.00 0.00 H new ATOM 645 N HIS A 43 0.289 -7.428 5.901 1.00 0.00 N ATOM 646 CA HIS A 43 1.001 -8.080 7.036 1.00 0.00 C ATOM 647 C HIS A 43 1.487 -9.468 6.609 1.00 0.00 C ATOM 648 O HIS A 43 2.421 -10.006 7.166 1.00 0.00 O ATOM 649 CB HIS A 43 0.047 -8.223 8.226 1.00 0.00 C ATOM 650 CG HIS A 43 0.283 -7.101 9.200 1.00 0.00 C ATOM 651 ND1 HIS A 43 1.230 -7.183 10.209 1.00 0.00 N ATOM 652 CD2 HIS A 43 -0.300 -5.865 9.334 1.00 0.00 C ATOM 653 CE1 HIS A 43 1.189 -6.029 10.899 1.00 0.00 C ATOM 654 NE2 HIS A 43 0.274 -5.189 10.408 1.00 0.00 N ATOM 0 H HIS A 43 -0.726 -7.527 5.910 1.00 0.00 H new ATOM 0 HA HIS A 43 1.855 -7.467 7.324 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.987 -8.207 7.880 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.204 -9.183 8.717 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -1.085 -5.476 8.702 1.00 0.00 H new ATOM 0 HE1 HIS A 43 1.820 -5.808 11.747 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.045 -4.254 10.746 1.00 0.00 H new ATOM 662 N ARG A 44 0.854 -10.054 5.630 1.00 0.00 N ATOM 663 CA ARG A 44 1.275 -11.410 5.174 1.00 0.00 C ATOM 664 C ARG A 44 2.334 -11.282 4.077 1.00 0.00 C ATOM 665 O ARG A 44 3.262 -12.061 4.002 1.00 0.00 O ATOM 666 CB ARG A 44 0.062 -12.155 4.615 1.00 0.00 C ATOM 667 CG ARG A 44 -0.383 -13.235 5.603 1.00 0.00 C ATOM 668 CD ARG A 44 -1.822 -13.649 5.288 1.00 0.00 C ATOM 669 NE ARG A 44 -1.856 -15.094 4.926 1.00 0.00 N ATOM 670 CZ ARG A 44 -2.225 -15.458 3.726 1.00 0.00 C ATOM 671 NH1 ARG A 44 -1.369 -16.037 2.928 1.00 0.00 N ATOM 672 NH2 ARG A 44 -3.449 -15.241 3.326 1.00 0.00 N ATOM 0 H ARG A 44 0.063 -9.653 5.126 1.00 0.00 H new ATOM 0 HA ARG A 44 1.692 -11.960 6.018 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.754 -11.456 4.434 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.312 -12.608 3.655 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.278 -14.099 5.537 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.316 -12.859 6.624 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.462 -13.464 6.151 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.213 -13.048 4.467 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.591 -15.799 5.614 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.413 -16.205 3.241 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.656 -16.321 1.992 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.117 -14.788 3.950 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.737 -15.525 2.390 1.00 0.00 H new ATOM 686 N ILE A 45 2.195 -10.309 3.221 1.00 0.00 N ATOM 687 CA ILE A 45 3.182 -10.132 2.121 1.00 0.00 C ATOM 688 C ILE A 45 4.564 -9.808 2.700 1.00 0.00 C ATOM 689 O ILE A 45 5.571 -10.310 2.244 1.00 0.00 O ATOM 690 CB ILE A 45 2.704 -9.001 1.200 1.00 0.00 C ATOM 691 CG1 ILE A 45 3.222 -9.249 -0.219 1.00 0.00 C ATOM 692 CG2 ILE A 45 3.223 -7.655 1.707 1.00 0.00 C ATOM 693 CD1 ILE A 45 2.194 -8.743 -1.232 1.00 0.00 C ATOM 0 H ILE A 45 1.437 -9.626 3.236 1.00 0.00 H new ATOM 0 HA ILE A 45 3.263 -11.055 1.546 1.00 0.00 H new ATOM 0 HB ILE A 45 1.614 -8.981 1.195 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.174 -8.738 -0.365 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.405 -10.313 -0.370 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.878 -6.860 1.046 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.849 -7.477 2.715 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.313 -7.667 1.722 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.562 -8.919 -2.243 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.252 -9.274 -1.091 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.034 -7.675 -1.085 1.00 0.00 H new ATOM 705 N ARG A 46 4.618 -8.967 3.696 1.00 0.00 N ATOM 706 CA ARG A 46 5.934 -8.608 4.297 1.00 0.00 C ATOM 707 C ARG A 46 6.289 -9.609 5.398 1.00 0.00 C ATOM 708 O ARG A 46 7.094 -9.333 6.265 1.00 0.00 O ATOM 709 CB ARG A 46 5.855 -7.197 4.884 1.00 0.00 C ATOM 710 CG ARG A 46 6.282 -6.180 3.823 1.00 0.00 C ATOM 711 CD ARG A 46 6.253 -4.773 4.422 1.00 0.00 C ATOM 712 NE ARG A 46 7.570 -4.472 5.048 1.00 0.00 N ATOM 713 CZ ARG A 46 8.496 -3.855 4.363 1.00 0.00 C ATOM 714 NH1 ARG A 46 8.558 -4.004 3.068 1.00 0.00 N ATOM 715 NH2 ARG A 46 9.358 -3.090 4.975 1.00 0.00 N ATOM 0 H ARG A 46 3.809 -8.513 4.119 1.00 0.00 H new ATOM 0 HA ARG A 46 6.706 -8.638 3.528 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.839 -6.986 5.217 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.500 -7.119 5.759 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.284 -6.413 3.464 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.615 -6.234 2.963 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.031 -4.040 3.646 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.460 -4.699 5.166 1.00 0.00 H new ATOM 0 HE ARG A 46 7.750 -4.748 6.013 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.884 -4.602 2.591 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.281 -3.522 2.533 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.309 -2.974 5.987 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.081 -2.608 4.441 1.00 0.00 H new ATOM 729 N THR A 47 5.698 -10.774 5.369 1.00 0.00 N ATOM 730 CA THR A 47 6.006 -11.794 6.410 1.00 0.00 C ATOM 731 C THR A 47 6.511 -13.070 5.734 1.00 0.00 C ATOM 732 O THR A 47 7.456 -13.690 6.180 1.00 0.00 O ATOM 733 CB THR A 47 4.740 -12.106 7.211 1.00 0.00 C ATOM 734 OG1 THR A 47 4.376 -10.967 7.977 1.00 0.00 O ATOM 735 CG2 THR A 47 5.000 -13.287 8.145 1.00 0.00 C ATOM 0 H THR A 47 5.015 -11.062 4.668 1.00 0.00 H new ATOM 0 HA THR A 47 6.773 -11.409 7.082 1.00 0.00 H new ATOM 0 HB THR A 47 3.931 -12.360 6.526 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.400 -10.874 7.982 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.097 -13.507 8.714 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.280 -14.161 7.557 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.809 -13.037 8.831 1.00 0.00 H new ATOM 743 N ASP A 48 5.888 -13.466 4.658 1.00 0.00 N ATOM 744 CA ASP A 48 6.331 -14.700 3.949 1.00 0.00 C ATOM 745 C ASP A 48 7.025 -14.315 2.639 1.00 0.00 C ATOM 746 O ASP A 48 7.582 -15.147 1.951 1.00 0.00 O ATOM 747 CB ASP A 48 5.112 -15.576 3.645 1.00 0.00 C ATOM 748 CG ASP A 48 4.982 -16.658 4.719 1.00 0.00 C ATOM 749 OD1 ASP A 48 5.974 -17.312 4.997 1.00 0.00 O ATOM 750 OD2 ASP A 48 3.893 -16.814 5.247 1.00 0.00 O ATOM 0 H ASP A 48 5.091 -12.988 4.239 1.00 0.00 H new ATOM 0 HA ASP A 48 7.028 -15.253 4.579 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.210 -14.965 3.618 1.00 0.00 H new ATOM 0 HB3 ASP A 48 5.216 -16.035 2.662 1.00 0.00 H new ATOM 755 N GLU A 49 6.998 -13.056 2.293 1.00 0.00 N ATOM 756 CA GLU A 49 7.658 -12.610 1.034 1.00 0.00 C ATOM 757 C GLU A 49 7.965 -11.114 1.133 1.00 0.00 C ATOM 758 O GLU A 49 8.247 -10.599 2.197 1.00 0.00 O ATOM 759 CB GLU A 49 6.723 -12.867 -0.150 1.00 0.00 C ATOM 760 CG GLU A 49 5.482 -11.978 -0.029 1.00 0.00 C ATOM 761 CD GLU A 49 4.616 -12.134 -1.278 1.00 0.00 C ATOM 762 OE1 GLU A 49 4.899 -11.467 -2.260 1.00 0.00 O ATOM 763 OE2 GLU A 49 3.683 -12.919 -1.234 1.00 0.00 O ATOM 0 H GLU A 49 6.546 -12.316 2.830 1.00 0.00 H new ATOM 0 HA GLU A 49 8.585 -13.164 0.886 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.241 -12.660 -1.087 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.430 -13.917 -0.173 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.911 -12.252 0.858 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.779 -10.936 0.092 1.00 0.00 H new ATOM 770 N ASN A 50 7.909 -10.408 0.038 1.00 0.00 N ATOM 771 CA ASN A 50 8.193 -8.946 0.084 1.00 0.00 C ATOM 772 C ASN A 50 6.915 -8.177 -0.246 1.00 0.00 C ATOM 773 O ASN A 50 6.146 -8.572 -1.099 1.00 0.00 O ATOM 774 CB ASN A 50 9.278 -8.597 -0.937 1.00 0.00 C ATOM 775 CG ASN A 50 9.005 -9.331 -2.249 1.00 0.00 C ATOM 776 OD1 ASN A 50 8.199 -8.895 -3.046 1.00 0.00 O ATOM 777 ND2 ASN A 50 9.647 -10.438 -2.509 1.00 0.00 N ATOM 0 H ASN A 50 7.680 -10.779 -0.884 1.00 0.00 H new ATOM 0 HA ASN A 50 8.540 -8.674 1.081 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.297 -7.521 -1.108 1.00 0.00 H new ATOM 0 HB3 ASN A 50 10.258 -8.876 -0.550 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.472 -10.936 -3.381 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.324 -10.804 -1.840 1.00 0.00 H new ATOM 784 N GLY A 51 6.677 -7.084 0.427 1.00 0.00 N ATOM 785 CA GLY A 51 5.444 -6.295 0.155 1.00 0.00 C ATOM 786 C GLY A 51 5.631 -5.440 -1.099 1.00 0.00 C ATOM 787 O GLY A 51 5.786 -4.235 -1.026 1.00 0.00 O ATOM 0 H GLY A 51 7.284 -6.704 1.153 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.595 -6.966 0.023 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.216 -5.657 1.009 1.00 0.00 H new ATOM 791 N LEU A 52 5.596 -6.049 -2.250 1.00 0.00 N ATOM 792 CA LEU A 52 5.745 -5.271 -3.505 1.00 0.00 C ATOM 793 C LEU A 52 4.354 -4.907 -4.012 1.00 0.00 C ATOM 794 O LEU A 52 3.357 -5.397 -3.520 1.00 0.00 O ATOM 795 CB LEU A 52 6.460 -6.118 -4.561 1.00 0.00 C ATOM 796 CG LEU A 52 7.973 -6.062 -4.342 1.00 0.00 C ATOM 797 CD1 LEU A 52 8.678 -6.726 -5.525 1.00 0.00 C ATOM 798 CD2 LEU A 52 8.426 -4.604 -4.239 1.00 0.00 C ATOM 0 H LEU A 52 5.470 -7.054 -2.374 1.00 0.00 H new ATOM 0 HA LEU A 52 6.330 -4.371 -3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.114 -7.150 -4.506 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.215 -5.753 -5.558 1.00 0.00 H new ATOM 0 HG LEU A 52 8.225 -6.585 -3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.757 -6.688 -5.373 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.358 -7.765 -5.602 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.422 -6.198 -6.444 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.504 -4.568 -4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.175 -4.079 -5.161 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.922 -4.125 -3.400 1.00 0.00 H new ATOM 810 N CYS A 53 4.275 -4.055 -4.988 1.00 0.00 N ATOM 811 CA CYS A 53 2.943 -3.666 -5.519 1.00 0.00 C ATOM 812 C CYS A 53 2.555 -4.603 -6.669 1.00 0.00 C ATOM 813 O CYS A 53 3.201 -4.607 -7.697 1.00 0.00 O ATOM 814 CB CYS A 53 3.001 -2.232 -6.040 1.00 0.00 C ATOM 815 SG CYS A 53 1.333 -1.689 -6.480 1.00 0.00 S ATOM 0 H CYS A 53 5.073 -3.610 -5.442 1.00 0.00 H new ATOM 0 HA CYS A 53 2.203 -3.738 -4.722 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.422 -1.573 -5.280 1.00 0.00 H new ATOM 0 HB3 CYS A 53 3.656 -2.175 -6.909 1.00 0.00 H new ATOM 0 HG CYS A 53 0.768 -1.140 -5.446 1.00 0.00 H new ATOM 820 N PRO A 54 1.506 -5.359 -6.472 1.00 0.00 N ATOM 821 CA PRO A 54 1.009 -6.295 -7.493 1.00 0.00 C ATOM 822 C PRO A 54 0.204 -5.530 -8.549 1.00 0.00 C ATOM 823 O PRO A 54 -0.373 -6.110 -9.445 1.00 0.00 O ATOM 824 CB PRO A 54 0.108 -7.247 -6.702 1.00 0.00 C ATOM 825 CG PRO A 54 -0.311 -6.485 -5.421 1.00 0.00 C ATOM 826 CD PRO A 54 0.720 -5.359 -5.221 1.00 0.00 C ATOM 0 HA PRO A 54 1.802 -6.820 -8.026 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.766 -7.532 -7.288 1.00 0.00 H new ATOM 0 HB3 PRO A 54 0.638 -8.166 -6.452 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.316 -6.076 -5.525 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.326 -7.154 -4.560 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.233 -4.398 -5.057 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.352 -5.548 -4.354 1.00 0.00 H new ATOM 834 N ALA A 55 0.161 -4.229 -8.442 1.00 0.00 N ATOM 835 CA ALA A 55 -0.611 -3.424 -9.429 1.00 0.00 C ATOM 836 C ALA A 55 0.348 -2.593 -10.290 1.00 0.00 C ATOM 837 O ALA A 55 0.068 -2.300 -11.435 1.00 0.00 O ATOM 838 CB ALA A 55 -1.564 -2.488 -8.683 1.00 0.00 C ATOM 0 H ALA A 55 0.628 -3.690 -7.713 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.180 -4.094 -10.073 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.131 -1.897 -9.402 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.251 -3.077 -8.076 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.990 -1.822 -8.039 1.00 0.00 H new ATOM 844 N CYS A 56 1.475 -2.209 -9.750 1.00 0.00 N ATOM 845 CA CYS A 56 2.441 -1.397 -10.545 1.00 0.00 C ATOM 846 C CYS A 56 3.874 -1.863 -10.240 1.00 0.00 C ATOM 847 O CYS A 56 4.832 -1.159 -10.488 1.00 0.00 O ATOM 848 CB CYS A 56 2.261 0.096 -10.200 1.00 0.00 C ATOM 849 SG CYS A 56 3.287 0.573 -8.777 1.00 0.00 S ATOM 0 H CYS A 56 1.767 -2.422 -8.796 1.00 0.00 H new ATOM 0 HA CYS A 56 2.254 -1.531 -11.610 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.527 0.706 -11.064 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.213 0.297 -9.979 1.00 0.00 H new ATOM 0 HG CYS A 56 2.890 -0.072 -7.720 1.00 0.00 H new ATOM 854 N ARG A 57 4.017 -3.046 -9.707 1.00 0.00 N ATOM 855 CA ARG A 57 5.377 -3.572 -9.383 1.00 0.00 C ATOM 856 C ARG A 57 6.248 -2.461 -8.784 1.00 0.00 C ATOM 857 O ARG A 57 6.999 -1.805 -9.477 1.00 0.00 O ATOM 858 CB ARG A 57 6.035 -4.106 -10.659 1.00 0.00 C ATOM 859 CG ARG A 57 5.705 -5.593 -10.823 1.00 0.00 C ATOM 860 CD ARG A 57 6.988 -6.370 -11.125 1.00 0.00 C ATOM 861 NE ARG A 57 6.666 -7.555 -11.972 1.00 0.00 N ATOM 862 CZ ARG A 57 7.627 -8.229 -12.542 1.00 0.00 C ATOM 863 NH1 ARG A 57 7.771 -8.189 -13.839 1.00 0.00 N ATOM 864 NH2 ARG A 57 8.443 -8.946 -11.817 1.00 0.00 N ATOM 0 H ARG A 57 3.247 -3.675 -9.480 1.00 0.00 H new ATOM 0 HA ARG A 57 5.281 -4.377 -8.654 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.680 -3.547 -11.525 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.115 -3.966 -10.610 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.241 -5.976 -9.914 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.986 -5.730 -11.630 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.703 -5.727 -11.638 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.458 -6.691 -10.196 1.00 0.00 H new ATOM 0 HE ARG A 57 5.695 -7.838 -12.106 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.133 -7.631 -14.406 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.522 -8.716 -14.285 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.330 -8.980 -10.804 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.194 -9.472 -12.264 1.00 0.00 H new ATOM 878 N LYS A 58 6.158 -2.256 -7.497 1.00 0.00 N ATOM 879 CA LYS A 58 6.985 -1.202 -6.840 1.00 0.00 C ATOM 880 C LYS A 58 7.101 -1.521 -5.346 1.00 0.00 C ATOM 881 O LYS A 58 6.199 -2.083 -4.765 1.00 0.00 O ATOM 882 CB LYS A 58 6.328 0.167 -7.023 1.00 0.00 C ATOM 883 CG LYS A 58 7.187 1.018 -7.960 1.00 0.00 C ATOM 884 CD LYS A 58 6.340 2.146 -8.554 1.00 0.00 C ATOM 885 CE LYS A 58 7.118 3.461 -8.479 1.00 0.00 C ATOM 886 NZ LYS A 58 6.553 4.310 -7.392 1.00 0.00 N ATOM 0 H LYS A 58 5.544 -2.776 -6.870 1.00 0.00 H new ATOM 0 HA LYS A 58 7.976 -1.181 -7.293 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.326 0.050 -7.435 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.220 0.663 -6.059 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.034 1.435 -7.415 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.596 0.398 -8.758 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.087 1.919 -9.590 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.400 2.235 -8.009 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.173 3.262 -8.289 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.060 3.986 -9.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.081 5.204 -7.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.552 4.510 -7.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.631 3.809 -6.484 1.00 0.00 H new ATOM 900 N PRO A 59 8.214 -1.162 -4.768 1.00 0.00 N ATOM 901 CA PRO A 59 8.474 -1.419 -3.342 1.00 0.00 C ATOM 902 C PRO A 59 7.679 -0.450 -2.461 1.00 0.00 C ATOM 903 O PRO A 59 7.826 0.754 -2.552 1.00 0.00 O ATOM 904 CB PRO A 59 9.981 -1.187 -3.203 1.00 0.00 C ATOM 905 CG PRO A 59 10.392 -0.284 -4.391 1.00 0.00 C ATOM 906 CD PRO A 59 9.307 -0.462 -5.471 1.00 0.00 C ATOM 0 HA PRO A 59 8.173 -2.418 -3.026 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.215 -0.709 -2.252 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.524 -2.132 -3.227 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.463 0.758 -4.080 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.372 -0.569 -4.774 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.976 0.498 -5.867 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.676 -1.044 -6.315 1.00 0.00 H new ATOM 914 N TYR A 60 6.835 -0.972 -1.610 1.00 0.00 N ATOM 915 CA TYR A 60 6.024 -0.091 -0.718 1.00 0.00 C ATOM 916 C TYR A 60 6.898 1.045 -0.178 1.00 0.00 C ATOM 917 O TYR A 60 8.109 0.948 -0.185 1.00 0.00 O ATOM 918 CB TYR A 60 5.480 -0.919 0.452 1.00 0.00 C ATOM 919 CG TYR A 60 4.632 -2.062 -0.065 1.00 0.00 C ATOM 920 CD1 TYR A 60 4.233 -2.103 -1.409 1.00 0.00 C ATOM 921 CD2 TYR A 60 4.243 -3.085 0.809 1.00 0.00 C ATOM 922 CE1 TYR A 60 3.447 -3.164 -1.874 1.00 0.00 C ATOM 923 CE2 TYR A 60 3.458 -4.145 0.343 1.00 0.00 C ATOM 924 CZ TYR A 60 3.059 -4.184 -0.998 1.00 0.00 C ATOM 925 OH TYR A 60 2.284 -5.231 -1.455 1.00 0.00 O ATOM 0 H TYR A 60 6.672 -1.972 -1.494 1.00 0.00 H new ATOM 0 HA TYR A 60 5.195 0.333 -1.284 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.306 -1.310 1.046 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.886 -0.285 1.110 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.532 -1.316 -2.085 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.550 -3.055 1.844 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.140 -3.195 -2.909 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.160 -4.933 1.018 1.00 0.00 H new ATOM 0 HH TYR A 60 2.704 -5.627 -2.247 1.00 0.00 H new ATOM 935 N PRO A 61 6.255 2.094 0.277 1.00 0.00 N ATOM 936 CA PRO A 61 6.953 3.268 0.829 1.00 0.00 C ATOM 937 C PRO A 61 7.468 2.974 2.240 1.00 0.00 C ATOM 938 O PRO A 61 7.013 2.062 2.901 1.00 0.00 O ATOM 939 CB PRO A 61 5.873 4.354 0.851 1.00 0.00 C ATOM 940 CG PRO A 61 4.514 3.616 0.852 1.00 0.00 C ATOM 941 CD PRO A 61 4.778 2.207 0.288 1.00 0.00 C ATOM 0 HA PRO A 61 7.827 3.559 0.246 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.974 4.984 1.735 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.960 5.007 -0.018 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.105 3.559 1.861 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.784 4.147 0.241 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.324 1.437 0.911 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.362 2.094 -0.713 1.00 0.00 H new