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 -120:sc= -2.84! USER MOD Set 1.2: A 33 CYS SG : rot 170:sc= 0.832 USER MOD Set 1.3: A 53 CYS SG : rot 162:sc= 0.857 USER MOD Set 1.4: A 56 CYS SG : rot 55:sc= -0.497 USER MOD Set 2.1: A 14 CYS SG : rot 162:sc= -0.52! USER MOD Set 2.2: A 17 CYS SG : rot -60:sc= -0.431 USER MOD Set 2.3: A 38 CYS SG : rot -136:sc= 0.526 USER MOD Set 2.4: A 41 CYS SG : rot 148:sc= -2.02 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.962! C(o=-0.96!,f=-3.6!) USER MOD Single : A 32 THR OG1 : rot -81:sc= 0.0869 USER MOD Single : A 35 TYR OH : rot 165:sc= -0.971 USER MOD Single : A 36 GLN : amide:sc= -1.36 K(o=-1.4,f=-6.5!) USER MOD Single : A 43 HIS : no HD1:sc= -2.85! K(o=-2.8!,f=-1.5) USER MOD Single : A 47 THR OG1 : rot 163:sc= 0.605 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 89:sc= 0.518 USER MOD ----------------------------------------------------------------- ATOM 165 N VAL A 12 -14.701 0.671 -2.347 1.00 0.00 N ATOM 166 CA VAL A 12 -13.306 0.143 -2.341 1.00 0.00 C ATOM 167 C VAL A 12 -13.277 -1.223 -1.653 1.00 0.00 C ATOM 168 O VAL A 12 -13.812 -1.400 -0.575 1.00 0.00 O ATOM 169 CB VAL A 12 -12.388 1.110 -1.588 1.00 0.00 C ATOM 170 CG1 VAL A 12 -10.991 1.076 -2.210 1.00 0.00 C ATOM 171 CG2 VAL A 12 -12.948 2.533 -1.677 1.00 0.00 C ATOM 0 HA VAL A 12 -12.959 0.042 -3.369 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.331 0.809 -0.542 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.337 1.764 -1.674 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.587 0.066 -2.143 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.051 1.374 -3.257 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.291 3.217 -1.140 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.009 2.835 -2.722 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.943 2.561 -1.232 1.00 0.00 H new ATOM 181 N GLU A 13 -12.650 -2.190 -2.264 1.00 0.00 N ATOM 182 CA GLU A 13 -12.578 -3.544 -1.647 1.00 0.00 C ATOM 183 C GLU A 13 -11.177 -4.119 -1.855 1.00 0.00 C ATOM 184 O GLU A 13 -10.654 -4.126 -2.953 1.00 0.00 O ATOM 185 CB GLU A 13 -13.614 -4.466 -2.297 1.00 0.00 C ATOM 186 CG GLU A 13 -13.593 -4.285 -3.818 1.00 0.00 C ATOM 187 CD GLU A 13 -15.023 -4.367 -4.359 1.00 0.00 C ATOM 188 OE1 GLU A 13 -15.560 -5.462 -4.396 1.00 0.00 O ATOM 189 OE2 GLU A 13 -15.555 -3.333 -4.729 1.00 0.00 O ATOM 0 H GLU A 13 -12.183 -2.100 -3.166 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.788 -3.468 -0.580 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.400 -5.504 -2.043 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.608 -4.241 -1.909 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.150 -3.323 -4.075 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.973 -5.055 -4.278 1.00 0.00 H new ATOM 196 N CYS A 14 -10.559 -4.596 -0.809 1.00 0.00 N ATOM 197 CA CYS A 14 -9.187 -5.160 -0.945 1.00 0.00 C ATOM 198 C CYS A 14 -9.120 -6.080 -2.169 1.00 0.00 C ATOM 199 O CYS A 14 -9.743 -7.122 -2.183 1.00 0.00 O ATOM 200 CB CYS A 14 -8.838 -5.974 0.303 1.00 0.00 C ATOM 201 SG CYS A 14 -7.104 -6.487 0.206 1.00 0.00 S ATOM 0 H CYS A 14 -10.946 -4.619 0.135 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.480 -4.339 -1.063 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.005 -5.378 1.200 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.486 -6.848 0.376 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.688 -6.836 1.387 1.00 0.00 H new ATOM 206 N PRO A 15 -8.355 -5.681 -3.155 1.00 0.00 N ATOM 207 CA PRO A 15 -8.177 -6.475 -4.382 1.00 0.00 C ATOM 208 C PRO A 15 -7.177 -7.609 -4.125 1.00 0.00 C ATOM 209 O PRO A 15 -6.871 -8.394 -5.000 1.00 0.00 O ATOM 210 CB PRO A 15 -7.614 -5.465 -5.385 1.00 0.00 C ATOM 211 CG PRO A 15 -6.972 -4.333 -4.548 1.00 0.00 C ATOM 212 CD PRO A 15 -7.605 -4.410 -3.145 1.00 0.00 C ATOM 0 HA PRO A 15 -9.095 -6.945 -4.735 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.876 -5.934 -6.036 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -8.403 -5.074 -6.027 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.891 -4.458 -4.493 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -7.158 -3.361 -5.004 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.845 -4.403 -2.364 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.263 -3.561 -2.958 1.00 0.00 H new ATOM 220 N LEU A 16 -6.670 -7.694 -2.924 1.00 0.00 N ATOM 221 CA LEU A 16 -5.691 -8.767 -2.594 1.00 0.00 C ATOM 222 C LEU A 16 -6.425 -9.939 -1.936 1.00 0.00 C ATOM 223 O LEU A 16 -6.073 -11.087 -2.120 1.00 0.00 O ATOM 224 CB LEU A 16 -4.648 -8.218 -1.615 1.00 0.00 C ATOM 225 CG LEU A 16 -3.633 -7.338 -2.353 1.00 0.00 C ATOM 226 CD1 LEU A 16 -2.618 -8.224 -3.075 1.00 0.00 C ATOM 227 CD2 LEU A 16 -4.351 -6.445 -3.372 1.00 0.00 C ATOM 0 H LEU A 16 -6.894 -7.063 -2.155 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.200 -9.105 -3.507 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.142 -7.639 -0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.133 -9.043 -1.122 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.118 -6.707 -1.629 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.897 -7.598 -3.600 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.097 -8.847 -2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.136 -8.860 -3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.620 -5.824 -3.890 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.876 -7.068 -4.096 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.068 -5.807 -2.855 1.00 0.00 H new ATOM 239 N CYS A 17 -7.443 -9.654 -1.170 1.00 0.00 N ATOM 240 CA CYS A 17 -8.204 -10.747 -0.498 1.00 0.00 C ATOM 241 C CYS A 17 -9.697 -10.443 -0.595 1.00 0.00 C ATOM 242 O CYS A 17 -10.504 -10.976 0.142 1.00 0.00 O ATOM 243 CB CYS A 17 -7.779 -10.839 0.976 1.00 0.00 C ATOM 244 SG CYS A 17 -8.519 -9.484 1.927 1.00 0.00 S ATOM 0 H CYS A 17 -7.781 -8.711 -0.980 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.995 -11.700 -0.984 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.090 -11.797 1.392 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.693 -10.795 1.052 1.00 0.00 H new ATOM 0 HG CYS A 17 -8.117 -8.346 1.445 1.00 0.00 H new ATOM 249 N MET A 18 -10.066 -9.583 -1.499 1.00 0.00 N ATOM 250 CA MET A 18 -11.501 -9.225 -1.654 1.00 0.00 C ATOM 251 C MET A 18 -12.126 -9.010 -0.274 1.00 0.00 C ATOM 252 O MET A 18 -12.613 -9.933 0.350 1.00 0.00 O ATOM 253 CB MET A 18 -12.239 -10.351 -2.380 1.00 0.00 C ATOM 254 CG MET A 18 -13.100 -9.757 -3.496 1.00 0.00 C ATOM 255 SD MET A 18 -12.239 -9.928 -5.078 1.00 0.00 S ATOM 256 CE MET A 18 -12.985 -8.498 -5.899 1.00 0.00 C ATOM 0 H MET A 18 -9.431 -9.109 -2.142 1.00 0.00 H new ATOM 0 HA MET A 18 -11.582 -8.308 -2.237 1.00 0.00 H new ATOM 0 HB2 MET A 18 -11.524 -11.061 -2.796 1.00 0.00 H new ATOM 0 HB3 MET A 18 -12.864 -10.903 -1.678 1.00 0.00 H new ATOM 0 HG2 MET A 18 -14.063 -10.266 -3.537 1.00 0.00 H new ATOM 0 HG3 MET A 18 -13.304 -8.706 -3.292 1.00 0.00 H new ATOM 0 HE1 MET A 18 -12.588 -8.411 -6.911 1.00 0.00 H new ATOM 0 HE2 MET A 18 -14.066 -8.627 -5.943 1.00 0.00 H new ATOM 0 HE3 MET A 18 -12.750 -7.593 -5.338 1.00 0.00 H new ATOM 266 N GLU A 19 -12.117 -7.799 0.206 1.00 0.00 N ATOM 267 CA GLU A 19 -12.709 -7.523 1.544 1.00 0.00 C ATOM 268 C GLU A 19 -13.221 -6.081 1.583 1.00 0.00 C ATOM 269 O GLU A 19 -12.896 -5.287 0.722 1.00 0.00 O ATOM 270 CB GLU A 19 -11.641 -7.711 2.622 1.00 0.00 C ATOM 271 CG GLU A 19 -11.695 -9.146 3.147 1.00 0.00 C ATOM 272 CD GLU A 19 -11.243 -9.173 4.608 1.00 0.00 C ATOM 273 OE1 GLU A 19 -11.140 -8.110 5.195 1.00 0.00 O ATOM 274 OE2 GLU A 19 -11.009 -10.258 5.115 1.00 0.00 O ATOM 0 H GLU A 19 -11.725 -6.987 -0.271 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.535 -8.210 1.726 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.654 -7.499 2.212 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.805 -7.007 3.438 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.709 -9.538 3.062 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.053 -9.789 2.545 1.00 0.00 H new ATOM 281 N PRO A 20 -14.002 -5.785 2.589 1.00 0.00 N ATOM 282 CA PRO A 20 -14.571 -4.443 2.778 1.00 0.00 C ATOM 283 C PRO A 20 -13.510 -3.502 3.347 1.00 0.00 C ATOM 284 O PRO A 20 -13.113 -3.615 4.491 1.00 0.00 O ATOM 285 CB PRO A 20 -15.702 -4.666 3.781 1.00 0.00 C ATOM 286 CG PRO A 20 -15.368 -5.979 4.528 1.00 0.00 C ATOM 287 CD PRO A 20 -14.389 -6.759 3.630 1.00 0.00 C ATOM 0 HA PRO A 20 -14.922 -3.987 1.852 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -15.775 -3.830 4.477 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -16.663 -4.742 3.273 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.920 -5.769 5.499 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.271 -6.560 4.713 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.523 -7.107 4.193 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -14.862 -7.640 3.196 1.00 0.00 H new ATOM 295 N LEU A 21 -13.044 -2.580 2.557 1.00 0.00 N ATOM 296 CA LEU A 21 -12.001 -1.634 3.044 1.00 0.00 C ATOM 297 C LEU A 21 -12.621 -0.656 4.041 1.00 0.00 C ATOM 298 O LEU A 21 -13.625 -0.028 3.769 1.00 0.00 O ATOM 299 CB LEU A 21 -11.421 -0.861 1.860 1.00 0.00 C ATOM 300 CG LEU A 21 -10.236 -1.632 1.279 1.00 0.00 C ATOM 301 CD1 LEU A 21 -9.891 -1.075 -0.103 1.00 0.00 C ATOM 302 CD2 LEU A 21 -9.029 -1.478 2.205 1.00 0.00 C ATOM 0 H LEU A 21 -13.340 -2.438 1.591 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.205 -2.194 3.536 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.185 -0.718 1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.101 0.130 2.181 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.497 -2.687 1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.046 -1.625 -0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.752 -1.182 -0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.629 -0.021 -0.015 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.182 -2.027 1.793 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.770 -0.423 2.292 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.274 -1.874 3.191 1.00 0.00 H new ATOM 314 N GLU A 22 -12.028 -0.520 5.195 1.00 0.00 N ATOM 315 CA GLU A 22 -12.579 0.419 6.209 1.00 0.00 C ATOM 316 C GLU A 22 -12.204 1.852 5.830 1.00 0.00 C ATOM 317 O GLU A 22 -11.502 2.087 4.867 1.00 0.00 O ATOM 318 CB GLU A 22 -11.995 0.084 7.583 1.00 0.00 C ATOM 319 CG GLU A 22 -13.084 0.212 8.650 1.00 0.00 C ATOM 320 CD GLU A 22 -12.786 -0.746 9.804 1.00 0.00 C ATOM 321 OE1 GLU A 22 -12.478 -1.894 9.530 1.00 0.00 O ATOM 322 OE2 GLU A 22 -12.871 -0.316 10.943 1.00 0.00 O ATOM 0 H GLU A 22 -11.185 -1.019 5.479 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.664 0.324 6.243 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.592 -0.929 7.581 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.168 0.756 7.811 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.129 1.237 9.017 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -14.059 -0.015 8.218 1.00 0.00 H new ATOM 329 N ILE A 23 -12.669 2.813 6.577 1.00 0.00 N ATOM 330 CA ILE A 23 -12.341 4.231 6.259 1.00 0.00 C ATOM 331 C ILE A 23 -10.825 4.434 6.317 1.00 0.00 C ATOM 332 O ILE A 23 -10.190 4.734 5.325 1.00 0.00 O ATOM 333 CB ILE A 23 -13.017 5.144 7.283 1.00 0.00 C ATOM 334 CG1 ILE A 23 -14.534 4.956 7.208 1.00 0.00 C ATOM 335 CG2 ILE A 23 -12.669 6.603 6.978 1.00 0.00 C ATOM 336 CD1 ILE A 23 -15.030 5.332 5.811 1.00 0.00 C ATOM 0 H ILE A 23 -13.263 2.678 7.395 1.00 0.00 H new ATOM 0 HA ILE A 23 -12.698 4.473 5.258 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.666 4.890 8.283 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -14.794 3.921 7.431 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -15.025 5.576 7.958 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -13.151 7.252 7.708 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.589 6.738 7.030 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -13.019 6.859 5.978 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -16.110 5.197 5.760 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -14.784 6.374 5.606 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -14.549 4.693 5.070 1.00 0.00 H new ATOM 348 N ASP A 24 -10.242 4.279 7.473 1.00 0.00 N ATOM 349 CA ASP A 24 -8.768 4.469 7.601 1.00 0.00 C ATOM 350 C ASP A 24 -8.031 3.462 6.711 1.00 0.00 C ATOM 351 O ASP A 24 -6.869 3.631 6.402 1.00 0.00 O ATOM 352 CB ASP A 24 -8.355 4.256 9.058 1.00 0.00 C ATOM 353 CG ASP A 24 -8.332 5.602 9.786 1.00 0.00 C ATOM 354 OD1 ASP A 24 -7.831 6.554 9.213 1.00 0.00 O ATOM 355 OD2 ASP A 24 -8.818 5.656 10.903 1.00 0.00 O ATOM 0 H ASP A 24 -10.723 4.028 8.337 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.508 5.480 7.288 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.052 3.577 9.549 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.371 3.790 9.103 1.00 0.00 H new ATOM 360 N ASP A 25 -8.692 2.415 6.302 1.00 0.00 N ATOM 361 CA ASP A 25 -8.018 1.402 5.439 1.00 0.00 C ATOM 362 C ASP A 25 -7.913 1.932 4.008 1.00 0.00 C ATOM 363 O ASP A 25 -6.992 1.613 3.282 1.00 0.00 O ATOM 364 CB ASP A 25 -8.831 0.106 5.442 1.00 0.00 C ATOM 365 CG ASP A 25 -8.606 -0.636 6.760 1.00 0.00 C ATOM 366 OD1 ASP A 25 -7.511 -0.545 7.290 1.00 0.00 O ATOM 367 OD2 ASP A 25 -9.533 -1.285 7.218 1.00 0.00 O ATOM 0 H ASP A 25 -9.667 2.216 6.527 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.018 1.207 5.827 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.890 0.329 5.314 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.534 -0.524 4.603 1.00 0.00 H new ATOM 372 N ILE A 26 -8.853 2.735 3.594 1.00 0.00 N ATOM 373 CA ILE A 26 -8.811 3.281 2.209 1.00 0.00 C ATOM 374 C ILE A 26 -7.486 4.014 1.981 1.00 0.00 C ATOM 375 O ILE A 26 -6.735 3.691 1.081 1.00 0.00 O ATOM 376 CB ILE A 26 -9.978 4.250 2.012 1.00 0.00 C ATOM 377 CG1 ILE A 26 -11.297 3.479 2.115 1.00 0.00 C ATOM 378 CG2 ILE A 26 -9.878 4.901 0.633 1.00 0.00 C ATOM 379 CD1 ILE A 26 -12.434 4.448 2.449 1.00 0.00 C ATOM 0 H ILE A 26 -9.649 3.037 4.155 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.892 2.463 1.493 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.942 5.023 2.780 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.506 2.968 1.175 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.222 2.711 2.885 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.711 5.591 0.495 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.938 5.447 0.556 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.914 4.130 -0.137 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.372 3.897 2.522 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.226 4.939 3.400 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.514 5.199 1.663 1.00 0.00 H new ATOM 391 N ASN A 27 -7.192 4.999 2.786 1.00 0.00 N ATOM 392 CA ASN A 27 -5.916 5.753 2.611 1.00 0.00 C ATOM 393 C ASN A 27 -4.730 4.851 2.964 1.00 0.00 C ATOM 394 O ASN A 27 -3.590 5.190 2.720 1.00 0.00 O ATOM 395 CB ASN A 27 -5.916 6.976 3.530 1.00 0.00 C ATOM 396 CG ASN A 27 -7.293 7.643 3.490 1.00 0.00 C ATOM 397 OD1 ASN A 27 -8.089 7.366 2.615 1.00 0.00 O ATOM 398 ND2 ASN A 27 -7.609 8.518 4.407 1.00 0.00 N ATOM 0 H ASN A 27 -7.780 5.315 3.557 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.828 6.075 1.574 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.674 6.678 4.550 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.148 7.682 3.214 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.524 8.969 4.388 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.941 8.751 5.142 1.00 0.00 H new ATOM 405 N PHE A 28 -4.985 3.705 3.533 1.00 0.00 N ATOM 406 CA PHE A 28 -3.863 2.792 3.893 1.00 0.00 C ATOM 407 C PHE A 28 -3.501 1.932 2.680 1.00 0.00 C ATOM 408 O PHE A 28 -4.306 1.170 2.187 1.00 0.00 O ATOM 409 CB PHE A 28 -4.287 1.884 5.048 1.00 0.00 C ATOM 410 CG PHE A 28 -3.152 0.949 5.392 1.00 0.00 C ATOM 411 CD1 PHE A 28 -2.864 -0.139 4.557 1.00 0.00 C ATOM 412 CD2 PHE A 28 -2.386 1.170 6.542 1.00 0.00 C ATOM 413 CE1 PHE A 28 -1.809 -1.004 4.873 1.00 0.00 C ATOM 414 CE2 PHE A 28 -1.331 0.305 6.859 1.00 0.00 C ATOM 415 CZ PHE A 28 -1.043 -0.782 6.024 1.00 0.00 C ATOM 0 H PHE A 28 -5.918 3.362 3.764 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.999 3.383 4.197 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.555 2.484 5.918 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.172 1.312 4.770 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.456 -0.310 3.670 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.608 2.008 7.186 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.586 -1.842 4.229 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.740 0.476 7.747 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.230 -1.449 6.268 1.00 0.00 H new ATOM 425 N PHE A 29 -2.294 2.049 2.195 1.00 0.00 N ATOM 426 CA PHE A 29 -1.889 1.237 1.014 1.00 0.00 C ATOM 427 C PHE A 29 -0.424 0.823 1.148 1.00 0.00 C ATOM 428 O PHE A 29 0.357 1.500 1.786 1.00 0.00 O ATOM 429 CB PHE A 29 -2.050 2.065 -0.260 1.00 0.00 C ATOM 430 CG PHE A 29 -1.711 3.506 0.033 1.00 0.00 C ATOM 431 CD1 PHE A 29 -0.402 3.866 0.389 1.00 0.00 C ATOM 432 CD2 PHE A 29 -2.709 4.482 -0.043 1.00 0.00 C ATOM 433 CE1 PHE A 29 -0.100 5.205 0.669 1.00 0.00 C ATOM 434 CE2 PHE A 29 -2.407 5.818 0.236 1.00 0.00 C ATOM 435 CZ PHE A 29 -1.103 6.181 0.593 1.00 0.00 C ATOM 0 H PHE A 29 -1.574 2.670 2.565 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.521 0.350 0.963 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.398 1.678 -1.043 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.072 1.988 -0.630 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.370 3.113 0.447 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.716 4.203 -0.318 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.906 5.485 0.944 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.180 6.570 0.176 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.870 7.213 0.810 1.00 0.00 H new ATOM 445 N PRO A 30 -0.096 -0.278 0.524 1.00 0.00 N ATOM 446 CA PRO A 30 1.272 -0.811 0.531 1.00 0.00 C ATOM 447 C PRO A 30 2.130 -0.045 -0.479 1.00 0.00 C ATOM 448 O PRO A 30 3.337 0.003 -0.369 1.00 0.00 O ATOM 449 CB PRO A 30 1.093 -2.268 0.103 1.00 0.00 C ATOM 450 CG PRO A 30 -0.252 -2.337 -0.661 1.00 0.00 C ATOM 451 CD PRO A 30 -1.061 -1.095 -0.241 1.00 0.00 C ATOM 0 HA PRO A 30 1.771 -0.720 1.496 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.918 -2.590 -0.533 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.082 -2.929 0.970 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.086 -2.345 -1.738 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.791 -3.252 -0.415 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.441 -0.555 -1.108 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.923 -1.368 0.368 1.00 0.00 H new ATOM 459 N CYS A 31 1.513 0.553 -1.463 1.00 0.00 N ATOM 460 CA CYS A 31 2.292 1.316 -2.480 1.00 0.00 C ATOM 461 C CYS A 31 1.693 2.716 -2.643 1.00 0.00 C ATOM 462 O CYS A 31 0.523 2.935 -2.398 1.00 0.00 O ATOM 463 CB CYS A 31 2.241 0.579 -3.818 1.00 0.00 C ATOM 464 SG CYS A 31 2.986 1.612 -5.101 1.00 0.00 S ATOM 0 H CYS A 31 0.503 0.546 -1.606 1.00 0.00 H new ATOM 0 HA CYS A 31 3.328 1.403 -2.152 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.774 -0.369 -3.744 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.209 0.345 -4.078 1.00 0.00 H new ATOM 0 HG CYS A 31 2.107 1.854 -6.028 1.00 0.00 H new ATOM 469 N THR A 32 2.491 3.671 -3.041 1.00 0.00 N ATOM 470 CA THR A 32 1.973 5.060 -3.206 1.00 0.00 C ATOM 471 C THR A 32 1.467 5.286 -4.636 1.00 0.00 C ATOM 472 O THR A 32 1.834 6.246 -5.284 1.00 0.00 O ATOM 473 CB THR A 32 3.094 6.054 -2.900 1.00 0.00 C ATOM 474 OG1 THR A 32 4.351 5.433 -3.135 1.00 0.00 O ATOM 475 CG2 THR A 32 3.004 6.495 -1.439 1.00 0.00 C ATOM 0 H THR A 32 3.480 3.549 -3.259 1.00 0.00 H new ATOM 0 HA THR A 32 1.141 5.208 -2.517 1.00 0.00 H new ATOM 0 HB THR A 32 2.993 6.927 -3.545 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.593 4.881 -2.362 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.804 7.203 -1.223 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.040 6.971 -1.261 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.104 5.625 -0.790 1.00 0.00 H new ATOM 483 N CYS A 33 0.619 4.427 -5.132 1.00 0.00 N ATOM 484 CA CYS A 33 0.091 4.626 -6.514 1.00 0.00 C ATOM 485 C CYS A 33 -1.438 4.536 -6.493 1.00 0.00 C ATOM 486 O CYS A 33 -2.091 4.704 -7.502 1.00 0.00 O ATOM 487 CB CYS A 33 0.660 3.562 -7.457 1.00 0.00 C ATOM 488 SG CYS A 33 -0.092 1.956 -7.103 1.00 0.00 S ATOM 0 H CYS A 33 0.270 3.601 -4.645 1.00 0.00 H new ATOM 0 HA CYS A 33 0.394 5.610 -6.873 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.468 3.842 -8.493 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.742 3.500 -7.339 1.00 0.00 H new ATOM 0 HG CYS A 33 0.231 1.110 -8.036 1.00 0.00 H new ATOM 493 N GLY A 34 -2.011 4.283 -5.347 1.00 0.00 N ATOM 494 CA GLY A 34 -3.496 4.194 -5.262 1.00 0.00 C ATOM 495 C GLY A 34 -3.922 2.751 -4.995 1.00 0.00 C ATOM 496 O GLY A 34 -4.952 2.505 -4.403 1.00 0.00 O ATOM 0 H GLY A 34 -1.515 4.134 -4.468 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.862 4.842 -4.466 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.943 4.547 -6.191 1.00 0.00 H new ATOM 500 N TYR A 35 -3.144 1.792 -5.425 1.00 0.00 N ATOM 501 CA TYR A 35 -3.526 0.371 -5.181 1.00 0.00 C ATOM 502 C TYR A 35 -3.446 0.098 -3.679 1.00 0.00 C ATOM 503 O TYR A 35 -2.435 -0.345 -3.172 1.00 0.00 O ATOM 504 CB TYR A 35 -2.563 -0.560 -5.925 1.00 0.00 C ATOM 505 CG TYR A 35 -3.298 -1.816 -6.342 1.00 0.00 C ATOM 506 CD1 TYR A 35 -4.248 -1.754 -7.367 1.00 0.00 C ATOM 507 CD2 TYR A 35 -3.031 -3.037 -5.708 1.00 0.00 C ATOM 508 CE1 TYR A 35 -4.932 -2.910 -7.761 1.00 0.00 C ATOM 509 CE2 TYR A 35 -3.715 -4.195 -6.102 1.00 0.00 C ATOM 510 CZ TYR A 35 -4.665 -4.130 -7.128 1.00 0.00 C ATOM 511 OH TYR A 35 -5.339 -5.271 -7.518 1.00 0.00 O ATOM 0 H TYR A 35 -2.269 1.930 -5.930 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.539 0.191 -5.541 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.157 -0.055 -6.802 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.719 -0.815 -5.284 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.454 -0.813 -7.855 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.298 -3.086 -4.916 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.665 -2.861 -8.553 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -3.509 -5.137 -5.615 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.880 -6.060 -7.161 1.00 0.00 H new ATOM 521 N GLN A 36 -4.501 0.370 -2.961 1.00 0.00 N ATOM 522 CA GLN A 36 -4.479 0.138 -1.491 1.00 0.00 C ATOM 523 C GLN A 36 -5.044 -1.248 -1.189 1.00 0.00 C ATOM 524 O GLN A 36 -5.719 -1.847 -2.004 1.00 0.00 O ATOM 525 CB GLN A 36 -5.328 1.200 -0.778 1.00 0.00 C ATOM 526 CG GLN A 36 -5.371 2.487 -1.608 1.00 0.00 C ATOM 527 CD GLN A 36 -6.734 2.614 -2.293 1.00 0.00 C ATOM 528 OE1 GLN A 36 -7.014 1.926 -3.255 1.00 0.00 O ATOM 529 NE2 GLN A 36 -7.601 3.476 -1.835 1.00 0.00 N ATOM 0 H GLN A 36 -5.376 0.743 -3.329 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.451 0.204 -1.134 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.339 0.824 -0.624 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.911 1.408 0.208 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.194 3.351 -0.967 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -4.577 2.476 -2.355 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.368 4.054 -1.028 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.512 3.571 -2.284 1.00 0.00 H new ATOM 538 N ILE A 37 -4.773 -1.763 -0.024 1.00 0.00 N ATOM 539 CA ILE A 37 -5.294 -3.110 0.333 1.00 0.00 C ATOM 540 C ILE A 37 -5.763 -3.096 1.789 1.00 0.00 C ATOM 541 O ILE A 37 -5.881 -2.054 2.402 1.00 0.00 O ATOM 542 CB ILE A 37 -4.182 -4.146 0.152 1.00 0.00 C ATOM 543 CG1 ILE A 37 -3.162 -4.009 1.284 1.00 0.00 C ATOM 544 CG2 ILE A 37 -3.483 -3.916 -1.189 1.00 0.00 C ATOM 545 CD1 ILE A 37 -2.129 -5.131 1.176 1.00 0.00 C ATOM 0 H ILE A 37 -4.213 -1.309 0.697 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.133 -3.369 -0.313 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.615 -5.146 0.172 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.668 -3.039 1.228 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.666 -4.055 2.250 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.691 -4.654 -1.318 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.207 -4.015 -1.998 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.053 -2.915 -1.208 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.402 -5.035 1.982 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.630 -6.096 1.253 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.618 -5.064 0.216 1.00 0.00 H new ATOM 557 N CYS A 38 -6.029 -4.242 2.351 1.00 0.00 N ATOM 558 CA CYS A 38 -6.484 -4.287 3.766 1.00 0.00 C ATOM 559 C CYS A 38 -5.261 -4.429 4.678 1.00 0.00 C ATOM 560 O CYS A 38 -4.212 -4.874 4.256 1.00 0.00 O ATOM 561 CB CYS A 38 -7.451 -5.465 3.957 1.00 0.00 C ATOM 562 SG CYS A 38 -6.535 -7.024 4.015 1.00 0.00 S ATOM 0 H CYS A 38 -5.951 -5.149 1.891 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.010 -3.368 4.023 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.018 -5.334 4.879 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.172 -5.489 3.140 1.00 0.00 H new ATOM 0 HG CYS A 38 -7.152 -7.917 3.299 1.00 0.00 H new ATOM 567 N ARG A 39 -5.376 -4.036 5.916 1.00 0.00 N ATOM 568 CA ARG A 39 -4.208 -4.128 6.840 1.00 0.00 C ATOM 569 C ARG A 39 -3.840 -5.594 7.092 1.00 0.00 C ATOM 570 O ARG A 39 -2.828 -5.889 7.696 1.00 0.00 O ATOM 571 CB ARG A 39 -4.548 -3.446 8.167 1.00 0.00 C ATOM 572 CG ARG A 39 -4.166 -1.966 8.089 1.00 0.00 C ATOM 573 CD ARG A 39 -3.140 -1.639 9.177 1.00 0.00 C ATOM 574 NE ARG A 39 -3.343 -0.239 9.645 1.00 0.00 N ATOM 575 CZ ARG A 39 -3.317 0.033 10.921 1.00 0.00 C ATOM 576 NH1 ARG A 39 -2.329 0.724 11.421 1.00 0.00 N ATOM 577 NH2 ARG A 39 -4.280 -0.383 11.696 1.00 0.00 N ATOM 0 H ARG A 39 -6.227 -3.655 6.329 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.356 -3.627 6.380 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.612 -3.548 8.379 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.013 -3.929 8.985 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.753 -1.739 7.106 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.053 -1.345 8.214 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.246 -2.332 10.012 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.129 -1.761 8.787 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.502 0.507 8.968 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.577 1.051 10.814 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.309 0.937 12.418 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.053 -0.921 11.305 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.260 -0.170 12.693 1.00 0.00 H new ATOM 591 N PHE A 40 -4.643 -6.518 6.640 1.00 0.00 N ATOM 592 CA PHE A 40 -4.311 -7.954 6.867 1.00 0.00 C ATOM 593 C PHE A 40 -3.557 -8.507 5.652 1.00 0.00 C ATOM 594 O PHE A 40 -2.929 -9.544 5.720 1.00 0.00 O ATOM 595 CB PHE A 40 -5.596 -8.754 7.087 1.00 0.00 C ATOM 596 CG PHE A 40 -5.549 -9.404 8.450 1.00 0.00 C ATOM 597 CD1 PHE A 40 -4.353 -9.964 8.917 1.00 0.00 C ATOM 598 CD2 PHE A 40 -6.698 -9.447 9.249 1.00 0.00 C ATOM 599 CE1 PHE A 40 -4.305 -10.564 10.179 1.00 0.00 C ATOM 600 CE2 PHE A 40 -6.651 -10.048 10.512 1.00 0.00 C ATOM 601 CZ PHE A 40 -5.454 -10.607 10.978 1.00 0.00 C ATOM 0 H PHE A 40 -5.508 -6.344 6.128 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.680 -8.042 7.752 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -6.464 -8.099 7.013 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -5.703 -9.513 6.312 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.466 -9.932 8.301 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -7.621 -9.016 8.890 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -3.382 -10.994 10.538 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -7.538 -10.081 11.128 1.00 0.00 H new ATOM 0 HZ PHE A 40 -5.417 -11.071 11.953 1.00 0.00 H new ATOM 611 N CYS A 41 -3.602 -7.815 4.546 1.00 0.00 N ATOM 612 CA CYS A 41 -2.876 -8.292 3.334 1.00 0.00 C ATOM 613 C CYS A 41 -1.467 -7.694 3.332 1.00 0.00 C ATOM 614 O CYS A 41 -0.549 -8.236 2.749 1.00 0.00 O ATOM 615 CB CYS A 41 -3.624 -7.846 2.073 1.00 0.00 C ATOM 616 SG CYS A 41 -4.816 -9.121 1.585 1.00 0.00 S ATOM 0 H CYS A 41 -4.111 -6.939 4.429 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.817 -9.380 3.346 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -4.140 -6.904 2.259 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -2.917 -7.667 1.263 1.00 0.00 H new ATOM 0 HG CYS A 41 -5.845 -8.560 1.022 1.00 0.00 H new ATOM 621 N TRP A 42 -1.295 -6.573 3.979 1.00 0.00 N ATOM 622 CA TRP A 42 0.045 -5.923 4.021 1.00 0.00 C ATOM 623 C TRP A 42 0.872 -6.524 5.160 1.00 0.00 C ATOM 624 O TRP A 42 2.083 -6.582 5.097 1.00 0.00 O ATOM 625 CB TRP A 42 -0.136 -4.420 4.253 1.00 0.00 C ATOM 626 CG TRP A 42 1.182 -3.793 4.579 1.00 0.00 C ATOM 627 CD1 TRP A 42 2.150 -3.510 3.679 1.00 0.00 C ATOM 628 CD2 TRP A 42 1.689 -3.362 5.876 1.00 0.00 C ATOM 629 NE1 TRP A 42 3.221 -2.936 4.340 1.00 0.00 N ATOM 630 CE2 TRP A 42 2.986 -2.823 5.696 1.00 0.00 C ATOM 631 CE3 TRP A 42 1.158 -3.386 7.178 1.00 0.00 C ATOM 632 CZ2 TRP A 42 3.728 -2.326 6.768 1.00 0.00 C ATOM 633 CZ3 TRP A 42 1.903 -2.887 8.260 1.00 0.00 C ATOM 634 CH2 TRP A 42 3.186 -2.358 8.055 1.00 0.00 C ATOM 0 H TRP A 42 -2.030 -6.077 4.483 1.00 0.00 H new ATOM 0 HA TRP A 42 0.564 -6.089 3.077 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.560 -3.954 3.363 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.840 -4.251 5.068 1.00 0.00 H new ATOM 0 HD1 TRP A 42 2.096 -3.701 2.617 1.00 0.00 H new ATOM 0 HE1 TRP A 42 4.080 -2.633 3.881 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.171 -3.791 7.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.715 -1.919 6.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.485 -2.911 9.256 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.754 -1.976 8.891 1.00 0.00 H new ATOM 645 N HIS A 43 0.227 -6.971 6.204 1.00 0.00 N ATOM 646 CA HIS A 43 0.979 -7.566 7.344 1.00 0.00 C ATOM 647 C HIS A 43 1.324 -9.023 7.029 1.00 0.00 C ATOM 648 O HIS A 43 1.917 -9.717 7.830 1.00 0.00 O ATOM 649 CB HIS A 43 0.119 -7.504 8.608 1.00 0.00 C ATOM 650 CG HIS A 43 0.747 -6.563 9.597 1.00 0.00 C ATOM 651 ND1 HIS A 43 1.629 -6.996 10.574 1.00 0.00 N ATOM 652 CD2 HIS A 43 0.632 -5.205 9.771 1.00 0.00 C ATOM 653 CE1 HIS A 43 2.009 -5.918 11.285 1.00 0.00 C ATOM 654 NE2 HIS A 43 1.430 -4.801 10.837 1.00 0.00 N ATOM 0 H HIS A 43 -0.787 -6.950 6.316 1.00 0.00 H new ATOM 0 HA HIS A 43 1.900 -7.005 7.503 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.888 -7.168 8.359 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.025 -8.498 9.045 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.016 -4.551 9.172 1.00 0.00 H new ATOM 0 HE1 HIS A 43 2.698 -5.952 12.116 1.00 0.00 H new ATOM 0 HE2 HIS A 43 1.548 -3.855 11.199 1.00 0.00 H new ATOM 662 N ARG A 44 0.963 -9.495 5.866 1.00 0.00 N ATOM 663 CA ARG A 44 1.276 -10.906 5.508 1.00 0.00 C ATOM 664 C ARG A 44 2.281 -10.927 4.353 1.00 0.00 C ATOM 665 O ARG A 44 3.150 -11.774 4.289 1.00 0.00 O ATOM 666 CB ARG A 44 -0.006 -11.624 5.082 1.00 0.00 C ATOM 667 CG ARG A 44 -0.131 -12.940 5.852 1.00 0.00 C ATOM 668 CD ARG A 44 -1.609 -13.264 6.080 1.00 0.00 C ATOM 669 NE ARG A 44 -1.726 -14.554 6.816 1.00 0.00 N ATOM 670 CZ ARG A 44 -2.882 -14.937 7.283 1.00 0.00 C ATOM 671 NH1 ARG A 44 -3.058 -15.058 8.570 1.00 0.00 N ATOM 672 NH2 ARG A 44 -3.862 -15.201 6.463 1.00 0.00 N ATOM 0 H ARG A 44 0.466 -8.965 5.150 1.00 0.00 H new ATOM 0 HA ARG A 44 1.704 -11.413 6.373 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.872 -10.992 5.278 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.012 -11.818 4.009 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.346 -13.746 5.294 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.387 -12.864 6.808 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.084 -12.464 6.648 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.130 -13.329 5.125 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.901 -15.138 6.955 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.292 -14.853 9.211 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.962 -15.358 8.935 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.724 -15.108 5.457 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.766 -15.501 6.828 1.00 0.00 H new ATOM 686 N ILE A 45 2.168 -10.002 3.440 1.00 0.00 N ATOM 687 CA ILE A 45 3.115 -9.967 2.291 1.00 0.00 C ATOM 688 C ILE A 45 4.498 -9.544 2.788 1.00 0.00 C ATOM 689 O ILE A 45 5.512 -9.988 2.288 1.00 0.00 O ATOM 690 CB ILE A 45 2.615 -8.960 1.253 1.00 0.00 C ATOM 691 CG1 ILE A 45 1.356 -9.511 0.577 1.00 0.00 C ATOM 692 CG2 ILE A 45 3.697 -8.727 0.199 1.00 0.00 C ATOM 693 CD1 ILE A 45 0.362 -8.372 0.347 1.00 0.00 C ATOM 0 H ILE A 45 1.460 -9.268 3.440 1.00 0.00 H new ATOM 0 HA ILE A 45 3.178 -10.956 1.837 1.00 0.00 H new ATOM 0 HB ILE A 45 2.383 -8.016 1.747 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.615 -9.979 -0.373 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.904 -10.283 1.200 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.338 -8.009 -0.539 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.594 -8.336 0.679 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.932 -9.669 -0.296 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.534 -8.763 -0.134 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.094 -7.924 1.304 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.817 -7.616 -0.293 1.00 0.00 H new ATOM 705 N ARG A 46 4.546 -8.685 3.769 1.00 0.00 N ATOM 706 CA ARG A 46 5.863 -8.231 4.301 1.00 0.00 C ATOM 707 C ARG A 46 6.371 -9.233 5.339 1.00 0.00 C ATOM 708 O ARG A 46 7.313 -8.971 6.060 1.00 0.00 O ATOM 709 CB ARG A 46 5.700 -6.858 4.956 1.00 0.00 C ATOM 710 CG ARG A 46 6.528 -5.826 4.191 1.00 0.00 C ATOM 711 CD ARG A 46 7.337 -4.991 5.182 1.00 0.00 C ATOM 712 NE ARG A 46 8.151 -5.895 6.044 1.00 0.00 N ATOM 713 CZ ARG A 46 8.107 -5.775 7.343 1.00 0.00 C ATOM 714 NH1 ARG A 46 7.954 -4.598 7.884 1.00 0.00 N ATOM 715 NH2 ARG A 46 8.218 -6.832 8.101 1.00 0.00 N ATOM 0 H ARG A 46 3.730 -8.277 4.226 1.00 0.00 H new ATOM 0 HA ARG A 46 6.580 -8.163 3.483 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.650 -6.567 4.959 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.022 -6.899 5.997 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.196 -6.326 3.490 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.874 -5.181 3.604 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.987 -4.299 4.646 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.669 -4.389 5.797 1.00 0.00 H new ATOM 0 HE ARG A 46 8.743 -6.608 5.618 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.869 -3.772 7.292 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.920 -4.504 8.899 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.339 -7.752 7.678 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.184 -6.738 9.116 1.00 0.00 H new ATOM 729 N THR A 47 5.755 -10.379 5.422 1.00 0.00 N ATOM 730 CA THR A 47 6.205 -11.393 6.417 1.00 0.00 C ATOM 731 C THR A 47 6.504 -12.715 5.708 1.00 0.00 C ATOM 732 O THR A 47 7.285 -13.518 6.178 1.00 0.00 O ATOM 733 CB THR A 47 5.101 -11.611 7.455 1.00 0.00 C ATOM 734 OG1 THR A 47 4.127 -10.584 7.329 1.00 0.00 O ATOM 735 CG2 THR A 47 5.702 -11.574 8.861 1.00 0.00 C ATOM 0 H THR A 47 4.961 -10.657 4.845 1.00 0.00 H new ATOM 0 HA THR A 47 7.109 -11.037 6.912 1.00 0.00 H new ATOM 0 HB THR A 47 4.633 -12.581 7.289 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.301 -10.860 7.778 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.914 -11.729 9.598 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.450 -12.361 8.958 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.171 -10.605 9.031 1.00 0.00 H new ATOM 743 N ASP A 48 5.889 -12.953 4.582 1.00 0.00 N ATOM 744 CA ASP A 48 6.140 -14.227 3.852 1.00 0.00 C ATOM 745 C ASP A 48 6.709 -13.922 2.465 1.00 0.00 C ATOM 746 O ASP A 48 7.879 -14.129 2.205 1.00 0.00 O ATOM 747 CB ASP A 48 4.824 -14.996 3.707 1.00 0.00 C ATOM 748 CG ASP A 48 4.518 -15.737 5.010 1.00 0.00 C ATOM 749 OD1 ASP A 48 4.604 -15.115 6.056 1.00 0.00 O ATOM 750 OD2 ASP A 48 4.203 -16.914 4.940 1.00 0.00 O ATOM 0 H ASP A 48 5.224 -12.321 4.137 1.00 0.00 H new ATOM 0 HA ASP A 48 6.856 -14.830 4.410 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.013 -14.308 3.469 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.894 -15.704 2.881 1.00 0.00 H new ATOM 755 N GLU A 49 5.892 -13.438 1.570 1.00 0.00 N ATOM 756 CA GLU A 49 6.386 -13.127 0.198 1.00 0.00 C ATOM 757 C GLU A 49 7.073 -11.757 0.192 1.00 0.00 C ATOM 758 O GLU A 49 7.682 -11.355 1.163 1.00 0.00 O ATOM 759 CB GLU A 49 5.206 -13.117 -0.776 1.00 0.00 C ATOM 760 CG GLU A 49 4.358 -11.868 -0.537 1.00 0.00 C ATOM 761 CD GLU A 49 2.899 -12.165 -0.888 1.00 0.00 C ATOM 762 OE1 GLU A 49 2.566 -12.092 -2.060 1.00 0.00 O ATOM 763 OE2 GLU A 49 2.139 -12.459 0.019 1.00 0.00 O ATOM 0 H GLU A 49 4.903 -13.244 1.729 1.00 0.00 H new ATOM 0 HA GLU A 49 7.105 -13.887 -0.109 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.569 -13.132 -1.804 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.600 -14.013 -0.639 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.436 -11.557 0.505 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.728 -11.043 -1.145 1.00 0.00 H new ATOM 770 N ASN A 50 6.989 -11.042 -0.898 1.00 0.00 N ATOM 771 CA ASN A 50 7.648 -9.704 -0.966 1.00 0.00 C ATOM 772 C ASN A 50 6.591 -8.598 -0.946 1.00 0.00 C ATOM 773 O ASN A 50 5.553 -8.707 -1.566 1.00 0.00 O ATOM 774 CB ASN A 50 8.459 -9.602 -2.261 1.00 0.00 C ATOM 775 CG ASN A 50 9.873 -10.133 -2.023 1.00 0.00 C ATOM 776 OD1 ASN A 50 10.057 -11.296 -1.728 1.00 0.00 O ATOM 777 ND2 ASN A 50 10.889 -9.323 -2.145 1.00 0.00 N ATOM 0 H ASN A 50 6.494 -11.325 -1.743 1.00 0.00 H new ATOM 0 HA ASN A 50 8.307 -9.587 -0.106 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.973 -10.173 -3.052 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.500 -8.565 -2.596 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.837 -9.667 -1.993 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.735 -8.346 -2.393 1.00 0.00 H new ATOM 784 N GLY A 51 6.854 -7.533 -0.234 1.00 0.00 N ATOM 785 CA GLY A 51 5.880 -6.406 -0.161 1.00 0.00 C ATOM 786 C GLY A 51 6.041 -5.488 -1.375 1.00 0.00 C ATOM 787 O GLY A 51 6.324 -4.314 -1.242 1.00 0.00 O ATOM 0 H GLY A 51 7.710 -7.396 0.304 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.863 -6.797 -0.124 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.037 -5.839 0.756 1.00 0.00 H new ATOM 791 N LEU A 52 5.850 -6.006 -2.558 1.00 0.00 N ATOM 792 CA LEU A 52 5.981 -5.152 -3.770 1.00 0.00 C ATOM 793 C LEU A 52 4.588 -4.868 -4.338 1.00 0.00 C ATOM 794 O LEU A 52 3.670 -5.648 -4.184 1.00 0.00 O ATOM 795 CB LEU A 52 6.831 -5.868 -4.826 1.00 0.00 C ATOM 796 CG LEU A 52 8.292 -5.961 -4.364 1.00 0.00 C ATOM 797 CD1 LEU A 52 9.189 -6.188 -5.582 1.00 0.00 C ATOM 798 CD2 LEU A 52 8.712 -4.661 -3.668 1.00 0.00 C ATOM 0 H LEU A 52 5.610 -6.981 -2.736 1.00 0.00 H new ATOM 0 HA LEU A 52 6.467 -4.214 -3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.435 -6.868 -5.004 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.776 -5.330 -5.772 1.00 0.00 H new ATOM 0 HG LEU A 52 8.392 -6.790 -3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 52 10.228 -6.255 -5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.902 -7.115 -6.078 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.077 -5.356 -6.277 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.750 -4.740 -3.345 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.610 -3.827 -4.363 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.074 -4.490 -2.801 1.00 0.00 H new ATOM 810 N CYS A 53 4.430 -3.751 -4.988 1.00 0.00 N ATOM 811 CA CYS A 53 3.103 -3.395 -5.563 1.00 0.00 C ATOM 812 C CYS A 53 2.796 -4.299 -6.763 1.00 0.00 C ATOM 813 O CYS A 53 3.519 -4.288 -7.739 1.00 0.00 O ATOM 814 CB CYS A 53 3.129 -1.939 -6.030 1.00 0.00 C ATOM 815 SG CYS A 53 1.476 -1.454 -6.584 1.00 0.00 S ATOM 0 H CYS A 53 5.167 -3.064 -5.147 1.00 0.00 H new ATOM 0 HA CYS A 53 2.335 -3.529 -4.801 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.457 -1.291 -5.217 1.00 0.00 H new ATOM 0 HB3 CYS A 53 3.846 -1.819 -6.842 1.00 0.00 H new ATOM 0 HG CYS A 53 1.390 -0.157 -6.608 1.00 0.00 H new ATOM 820 N PRO A 54 1.726 -5.049 -6.663 1.00 0.00 N ATOM 821 CA PRO A 54 1.298 -5.957 -7.740 1.00 0.00 C ATOM 822 C PRO A 54 0.572 -5.170 -8.835 1.00 0.00 C ATOM 823 O PRO A 54 0.204 -5.707 -9.860 1.00 0.00 O ATOM 824 CB PRO A 54 0.335 -6.918 -7.038 1.00 0.00 C ATOM 825 CG PRO A 54 -0.175 -6.178 -5.778 1.00 0.00 C ATOM 826 CD PRO A 54 0.848 -5.069 -5.474 1.00 0.00 C ATOM 0 HA PRO A 54 2.128 -6.471 -8.225 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.494 -7.186 -7.694 1.00 0.00 H new ATOM 0 HB3 PRO A 54 0.840 -7.845 -6.767 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.165 -5.755 -5.951 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.264 -6.864 -4.936 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.359 -4.106 -5.324 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.412 -5.285 -4.566 1.00 0.00 H new ATOM 834 N ALA A 55 0.350 -3.902 -8.618 1.00 0.00 N ATOM 835 CA ALA A 55 -0.368 -3.090 -9.640 1.00 0.00 C ATOM 836 C ALA A 55 0.609 -2.167 -10.380 1.00 0.00 C ATOM 837 O ALA A 55 0.331 -1.726 -11.477 1.00 0.00 O ATOM 838 CB ALA A 55 -1.443 -2.247 -8.953 1.00 0.00 C ATOM 0 H ALA A 55 0.634 -3.395 -7.780 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.828 -3.763 -10.363 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.970 -1.652 -9.699 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.151 -2.903 -8.446 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.976 -1.585 -8.224 1.00 0.00 H new ATOM 844 N CYS A 56 1.744 -1.862 -9.806 1.00 0.00 N ATOM 845 CA CYS A 56 2.698 -0.962 -10.520 1.00 0.00 C ATOM 846 C CYS A 56 4.145 -1.265 -10.102 1.00 0.00 C ATOM 847 O CYS A 56 5.026 -0.443 -10.256 1.00 0.00 O ATOM 848 CB CYS A 56 2.340 0.510 -10.218 1.00 0.00 C ATOM 849 SG CYS A 56 3.233 1.120 -8.757 1.00 0.00 S ATOM 0 H CYS A 56 2.048 -2.191 -8.890 1.00 0.00 H new ATOM 0 HA CYS A 56 2.617 -1.136 -11.593 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.583 1.130 -11.081 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.266 0.599 -10.054 1.00 0.00 H new ATOM 0 HG CYS A 56 4.510 0.938 -8.921 1.00 0.00 H new ATOM 854 N ARG A 57 4.399 -2.432 -9.580 1.00 0.00 N ATOM 855 CA ARG A 57 5.793 -2.770 -9.166 1.00 0.00 C ATOM 856 C ARG A 57 6.394 -1.607 -8.367 1.00 0.00 C ATOM 857 O ARG A 57 6.942 -0.677 -8.924 1.00 0.00 O ATOM 858 CB ARG A 57 6.645 -3.019 -10.412 1.00 0.00 C ATOM 859 CG ARG A 57 6.543 -4.489 -10.826 1.00 0.00 C ATOM 860 CD ARG A 57 7.795 -4.877 -11.615 1.00 0.00 C ATOM 861 NE ARG A 57 7.536 -6.126 -12.384 1.00 0.00 N ATOM 862 CZ ARG A 57 8.537 -6.806 -12.871 1.00 0.00 C ATOM 863 NH1 ARG A 57 9.456 -7.276 -12.072 1.00 0.00 N ATOM 864 NH2 ARG A 57 8.623 -7.014 -14.157 1.00 0.00 N ATOM 0 H ARG A 57 3.707 -3.164 -9.422 1.00 0.00 H new ATOM 0 HA ARG A 57 5.777 -3.665 -8.544 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.309 -2.378 -11.227 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.684 -2.760 -10.210 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.444 -5.122 -9.944 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.652 -4.647 -11.434 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.073 -4.071 -12.294 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.634 -5.024 -10.935 1.00 0.00 H new ATOM 0 HE ARG A 57 6.579 -6.448 -12.529 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.391 -7.111 -11.067 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.239 -7.808 -12.452 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.907 -6.645 -14.782 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.406 -7.546 -14.536 1.00 0.00 H new ATOM 878 N LYS A 58 6.297 -1.655 -7.065 1.00 0.00 N ATOM 879 CA LYS A 58 6.862 -0.558 -6.225 1.00 0.00 C ATOM 880 C LYS A 58 7.137 -1.093 -4.814 1.00 0.00 C ATOM 881 O LYS A 58 6.295 -1.737 -4.230 1.00 0.00 O ATOM 882 CB LYS A 58 5.848 0.584 -6.134 1.00 0.00 C ATOM 883 CG LYS A 58 6.577 1.906 -5.887 1.00 0.00 C ATOM 884 CD LYS A 58 7.320 2.325 -7.157 1.00 0.00 C ATOM 885 CE LYS A 58 7.912 3.723 -6.967 1.00 0.00 C ATOM 886 NZ LYS A 58 7.617 4.554 -8.169 1.00 0.00 N ATOM 0 H LYS A 58 5.849 -2.410 -6.545 1.00 0.00 H new ATOM 0 HA LYS A 58 7.788 -0.196 -6.672 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.270 0.644 -7.056 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.141 0.392 -5.327 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.864 2.678 -5.599 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.280 1.797 -5.061 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.113 1.610 -7.379 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.638 2.320 -8.008 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.491 4.190 -6.076 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.989 3.656 -6.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.019 5.505 -8.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.038 4.110 -9.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.587 4.628 -8.296 1.00 0.00 H new ATOM 900 N PRO A 59 8.302 -0.811 -4.297 1.00 0.00 N ATOM 901 CA PRO A 59 8.682 -1.270 -2.952 1.00 0.00 C ATOM 902 C PRO A 59 7.917 -0.481 -1.885 1.00 0.00 C ATOM 903 O PRO A 59 8.176 0.682 -1.650 1.00 0.00 O ATOM 904 CB PRO A 59 10.191 -1.003 -2.891 1.00 0.00 C ATOM 905 CG PRO A 59 10.485 0.073 -3.961 1.00 0.00 C ATOM 906 CD PRO A 59 9.333 -0.004 -4.981 1.00 0.00 C ATOM 0 HA PRO A 59 8.445 -2.318 -2.766 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.485 -0.656 -1.900 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.755 -1.914 -3.090 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.540 1.064 -3.511 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.445 -0.111 -4.444 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.959 0.988 -5.236 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.654 -0.473 -5.911 1.00 0.00 H new ATOM 914 N TYR A 60 6.966 -1.116 -1.249 1.00 0.00 N ATOM 915 CA TYR A 60 6.156 -0.431 -0.200 1.00 0.00 C ATOM 916 C TYR A 60 7.052 0.501 0.626 1.00 0.00 C ATOM 917 O TYR A 60 8.114 0.102 1.061 1.00 0.00 O ATOM 918 CB TYR A 60 5.530 -1.490 0.716 1.00 0.00 C ATOM 919 CG TYR A 60 4.688 -2.451 -0.101 1.00 0.00 C ATOM 920 CD1 TYR A 60 4.342 -2.141 -1.425 1.00 0.00 C ATOM 921 CD2 TYR A 60 4.253 -3.654 0.470 1.00 0.00 C ATOM 922 CE1 TYR A 60 3.564 -3.033 -2.174 1.00 0.00 C ATOM 923 CE2 TYR A 60 3.475 -4.546 -0.282 1.00 0.00 C ATOM 924 CZ TYR A 60 3.131 -4.235 -1.603 1.00 0.00 C ATOM 925 OH TYR A 60 2.364 -5.114 -2.340 1.00 0.00 O ATOM 0 H TYR A 60 6.714 -2.091 -1.415 1.00 0.00 H new ATOM 0 HA TYR A 60 5.372 0.161 -0.672 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.313 -2.036 1.242 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.913 -1.008 1.474 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.676 -1.214 -1.867 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.517 -3.894 1.489 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.298 -2.793 -3.193 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.141 -5.474 0.158 1.00 0.00 H new ATOM 0 HH TYR A 60 2.950 -5.731 -2.827 1.00 0.00 H new ATOM 935 N PRO A 61 6.603 1.722 0.810 1.00 0.00 N ATOM 936 CA PRO A 61 7.359 2.732 1.572 1.00 0.00 C ATOM 937 C PRO A 61 7.197 2.509 3.078 1.00 0.00 C ATOM 938 O PRO A 61 6.171 2.051 3.542 1.00 0.00 O ATOM 939 CB PRO A 61 6.721 4.056 1.146 1.00 0.00 C ATOM 940 CG PRO A 61 5.302 3.713 0.632 1.00 0.00 C ATOM 941 CD PRO A 61 5.309 2.213 0.281 1.00 0.00 C ATOM 0 HA PRO A 61 8.431 2.696 1.377 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.673 4.751 1.984 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.311 4.538 0.366 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.552 3.929 1.393 1.00 0.00 H new ATOM 0 HG3 PRO A 61 5.051 4.314 -0.242 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.468 1.693 0.740 1.00 0.00 H new ATOM 0 HD3 PRO A 61 5.233 2.055 -0.795 1.00 0.00 H new