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 -123:sc= -0.0624 USER MOD Set 1.2: A 33 CYS SG : rot -133:sc= -1.1 USER MOD Set 1.3: A 53 CYS SG : rot 70:sc= 0.785 USER MOD Set 1.4: A 56 CYS SG : rot -66:sc= -2.83! USER MOD Set 2.1: A 14 CYS SG : rot 156:sc= 0.821 USER MOD Set 2.2: A 17 CYS SG : rot -72:sc= 0.649 USER MOD Set 2.3: A 38 CYS SG : rot -138:sc= 0.367 USER MOD Set 2.4: A 41 CYS SG : rot 150:sc= -1.56 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.18) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0473 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -7.76! C(o=-7.8!,f=-14!) USER MOD Single : A 43 HIS : no HD1:sc= -0.0542 X(o=-0.054,f=0) USER MOD Single : A 47 THR OG1 : rot 163:sc= -0.16 USER MOD Single : A 50 ASN : amide:sc= -0.282 K(o=-0.28,f=-1.6!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 47:sc= -2.92! USER MOD ----------------------------------------------------------------- ATOM 165 N VAL A 12 -15.131 0.882 -0.702 1.00 0.00 N ATOM 166 CA VAL A 12 -13.964 0.286 -1.410 1.00 0.00 C ATOM 167 C VAL A 12 -13.771 -1.156 -0.939 1.00 0.00 C ATOM 168 O VAL A 12 -14.242 -1.543 0.113 1.00 0.00 O ATOM 169 CB VAL A 12 -12.708 1.102 -1.094 1.00 0.00 C ATOM 170 CG1 VAL A 12 -11.663 0.874 -2.188 1.00 0.00 C ATOM 171 CG2 VAL A 12 -13.067 2.588 -1.037 1.00 0.00 C ATOM 0 HA VAL A 12 -14.141 0.297 -2.485 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.303 0.787 -0.132 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.768 1.455 -1.963 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.407 -0.185 -2.232 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -12.068 1.189 -3.150 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.173 3.170 -0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.472 2.902 -1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.812 2.753 -0.259 1.00 0.00 H new ATOM 181 N GLU A 13 -13.087 -1.959 -1.707 1.00 0.00 N ATOM 182 CA GLU A 13 -12.874 -3.377 -1.297 1.00 0.00 C ATOM 183 C GLU A 13 -11.456 -3.815 -1.670 1.00 0.00 C ATOM 184 O GLU A 13 -10.937 -3.455 -2.709 1.00 0.00 O ATOM 185 CB GLU A 13 -13.889 -4.270 -2.013 1.00 0.00 C ATOM 186 CG GLU A 13 -15.115 -4.467 -1.119 1.00 0.00 C ATOM 187 CD GLU A 13 -15.442 -5.958 -1.023 1.00 0.00 C ATOM 188 OE1 GLU A 13 -15.359 -6.630 -2.037 1.00 0.00 O ATOM 189 OE2 GLU A 13 -15.771 -6.402 0.065 1.00 0.00 O ATOM 0 H GLU A 13 -12.667 -1.696 -2.599 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.006 -3.465 -0.219 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.185 -3.817 -2.959 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.439 -5.234 -2.249 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.923 -4.061 -0.126 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.967 -3.923 -1.527 1.00 0.00 H new ATOM 196 N CYS A 14 -10.826 -4.592 -0.831 1.00 0.00 N ATOM 197 CA CYS A 14 -9.443 -5.056 -1.136 1.00 0.00 C ATOM 198 C CYS A 14 -9.453 -5.862 -2.441 1.00 0.00 C ATOM 199 O CYS A 14 -10.148 -6.854 -2.543 1.00 0.00 O ATOM 200 CB CYS A 14 -8.946 -5.945 0.006 1.00 0.00 C ATOM 201 SG CYS A 14 -7.211 -6.374 -0.277 1.00 0.00 S ATOM 0 H CYS A 14 -11.210 -4.926 0.053 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.783 -4.195 -1.244 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.053 -5.426 0.958 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.551 -6.850 0.067 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.643 -6.657 0.858 1.00 0.00 H new ATOM 206 N PRO A 15 -8.687 -5.412 -3.406 1.00 0.00 N ATOM 207 CA PRO A 15 -8.594 -6.077 -4.719 1.00 0.00 C ATOM 208 C PRO A 15 -7.656 -7.290 -4.659 1.00 0.00 C ATOM 209 O PRO A 15 -7.218 -7.790 -5.677 1.00 0.00 O ATOM 210 CB PRO A 15 -8.009 -4.991 -5.625 1.00 0.00 C ATOM 211 CG PRO A 15 -7.275 -3.995 -4.697 1.00 0.00 C ATOM 212 CD PRO A 15 -7.848 -4.202 -3.283 1.00 0.00 C ATOM 0 HA PRO A 15 -9.554 -6.459 -5.067 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.322 -5.422 -6.353 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -8.796 -4.489 -6.188 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.200 -4.175 -4.709 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -7.430 -2.969 -5.031 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.055 -4.340 -2.548 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.435 -3.342 -2.961 1.00 0.00 H new ATOM 220 N LEU A 16 -7.340 -7.771 -3.485 1.00 0.00 N ATOM 221 CA LEU A 16 -6.430 -8.950 -3.392 1.00 0.00 C ATOM 222 C LEU A 16 -7.097 -10.058 -2.571 1.00 0.00 C ATOM 223 O LEU A 16 -6.827 -11.228 -2.762 1.00 0.00 O ATOM 224 CB LEU A 16 -5.111 -8.552 -2.720 1.00 0.00 C ATOM 225 CG LEU A 16 -4.871 -7.047 -2.865 1.00 0.00 C ATOM 226 CD1 LEU A 16 -3.730 -6.627 -1.936 1.00 0.00 C ATOM 227 CD2 LEU A 16 -4.491 -6.723 -4.312 1.00 0.00 C ATOM 0 H LEU A 16 -7.670 -7.402 -2.593 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.226 -9.311 -4.400 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.137 -8.822 -1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.285 -9.103 -3.170 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.780 -6.507 -2.601 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.555 -5.556 -2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.997 -6.857 -0.905 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.823 -7.169 -2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.321 -5.651 -4.412 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.581 -7.261 -4.579 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.300 -7.026 -4.977 1.00 0.00 H new ATOM 239 N CYS A 17 -7.965 -9.707 -1.660 1.00 0.00 N ATOM 240 CA CYS A 17 -8.637 -10.752 -0.837 1.00 0.00 C ATOM 241 C CYS A 17 -10.144 -10.487 -0.811 1.00 0.00 C ATOM 242 O CYS A 17 -10.901 -11.202 -0.184 1.00 0.00 O ATOM 243 CB CYS A 17 -8.076 -10.726 0.590 1.00 0.00 C ATOM 244 SG CYS A 17 -8.708 -9.279 1.480 1.00 0.00 S ATOM 0 H CYS A 17 -8.236 -8.746 -1.451 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.452 -11.734 -1.272 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.357 -11.638 1.116 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.987 -10.698 0.561 1.00 0.00 H new ATOM 0 HG CYS A 17 -8.139 -8.204 1.021 1.00 0.00 H new ATOM 249 N MET A 18 -10.585 -9.464 -1.489 1.00 0.00 N ATOM 250 CA MET A 18 -12.036 -9.151 -1.507 1.00 0.00 C ATOM 251 C MET A 18 -12.535 -8.946 -0.075 1.00 0.00 C ATOM 252 O MET A 18 -12.718 -9.890 0.670 1.00 0.00 O ATOM 253 CB MET A 18 -12.800 -10.309 -2.155 1.00 0.00 C ATOM 254 CG MET A 18 -13.135 -9.957 -3.605 1.00 0.00 C ATOM 255 SD MET A 18 -12.764 -11.372 -4.671 1.00 0.00 S ATOM 256 CE MET A 18 -11.813 -10.475 -5.923 1.00 0.00 C ATOM 0 H MET A 18 -9.999 -8.831 -2.032 1.00 0.00 H new ATOM 0 HA MET A 18 -12.203 -8.240 -2.081 1.00 0.00 H new ATOM 0 HB2 MET A 18 -12.200 -11.218 -2.121 1.00 0.00 H new ATOM 0 HB3 MET A 18 -13.715 -10.510 -1.599 1.00 0.00 H new ATOM 0 HG2 MET A 18 -14.188 -9.689 -3.691 1.00 0.00 H new ATOM 0 HG3 MET A 18 -12.558 -9.088 -3.922 1.00 0.00 H new ATOM 0 HE1 MET A 18 -11.479 -11.170 -6.693 1.00 0.00 H new ATOM 0 HE2 MET A 18 -12.440 -9.707 -6.375 1.00 0.00 H new ATOM 0 HE3 MET A 18 -10.946 -10.007 -5.456 1.00 0.00 H new ATOM 266 N GLU A 19 -12.755 -7.721 0.315 1.00 0.00 N ATOM 267 CA GLU A 19 -13.243 -7.452 1.699 1.00 0.00 C ATOM 268 C GLU A 19 -13.764 -6.014 1.783 1.00 0.00 C ATOM 269 O GLU A 19 -13.397 -5.175 0.984 1.00 0.00 O ATOM 270 CB GLU A 19 -12.093 -7.640 2.692 1.00 0.00 C ATOM 271 CG GLU A 19 -11.006 -6.598 2.418 1.00 0.00 C ATOM 272 CD GLU A 19 -11.222 -5.383 3.322 1.00 0.00 C ATOM 273 OE1 GLU A 19 -10.758 -5.418 4.450 1.00 0.00 O ATOM 274 OE2 GLU A 19 -11.850 -4.439 2.872 1.00 0.00 O ATOM 0 H GLU A 19 -12.618 -6.893 -0.265 1.00 0.00 H new ATOM 0 HA GLU A 19 -14.048 -8.145 1.943 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -12.460 -7.538 3.713 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.680 -8.645 2.600 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.021 -7.029 2.599 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.034 -6.295 1.371 1.00 0.00 H new ATOM 281 N PRO A 20 -14.608 -5.773 2.753 1.00 0.00 N ATOM 282 CA PRO A 20 -15.207 -4.444 2.975 1.00 0.00 C ATOM 283 C PRO A 20 -14.199 -3.506 3.644 1.00 0.00 C ATOM 284 O PRO A 20 -13.739 -3.751 4.742 1.00 0.00 O ATOM 285 CB PRO A 20 -16.389 -4.734 3.904 1.00 0.00 C ATOM 286 CG PRO A 20 -16.076 -6.078 4.604 1.00 0.00 C ATOM 287 CD PRO A 20 -15.043 -6.803 3.720 1.00 0.00 C ATOM 0 HA PRO A 20 -15.510 -3.950 2.052 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -16.513 -3.935 4.635 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.320 -4.797 3.340 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.680 -5.910 5.605 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.980 -6.677 4.715 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.205 -7.175 4.310 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.484 -7.663 3.215 1.00 0.00 H new ATOM 295 N LEU A 21 -13.851 -2.433 2.987 1.00 0.00 N ATOM 296 CA LEU A 21 -12.872 -1.477 3.574 1.00 0.00 C ATOM 297 C LEU A 21 -13.599 -0.498 4.498 1.00 0.00 C ATOM 298 O LEU A 21 -14.806 -0.535 4.635 1.00 0.00 O ATOM 299 CB LEU A 21 -12.187 -0.701 2.447 1.00 0.00 C ATOM 300 CG LEU A 21 -11.045 -1.541 1.873 1.00 0.00 C ATOM 301 CD1 LEU A 21 -10.658 -1.006 0.492 1.00 0.00 C ATOM 302 CD2 LEU A 21 -9.838 -1.459 2.807 1.00 0.00 C ATOM 0 H LEU A 21 -14.205 -2.177 2.065 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.126 -2.027 4.148 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.907 -0.463 1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.802 0.246 2.825 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.367 -2.578 1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.844 -1.606 0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.519 -1.062 -0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.335 0.031 0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.022 -2.057 2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.517 -0.421 2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.112 -1.841 3.790 1.00 0.00 H new ATOM 314 N GLU A 22 -12.871 0.380 5.131 1.00 0.00 N ATOM 315 CA GLU A 22 -13.513 1.365 6.047 1.00 0.00 C ATOM 316 C GLU A 22 -12.961 2.762 5.752 1.00 0.00 C ATOM 317 O GLU A 22 -12.644 3.087 4.625 1.00 0.00 O ATOM 318 CB GLU A 22 -13.207 0.985 7.497 1.00 0.00 C ATOM 319 CG GLU A 22 -13.423 -0.518 7.687 1.00 0.00 C ATOM 320 CD GLU A 22 -12.567 -1.014 8.854 1.00 0.00 C ATOM 321 OE1 GLU A 22 -12.793 -0.561 9.963 1.00 0.00 O ATOM 322 OE2 GLU A 22 -11.702 -1.841 8.618 1.00 0.00 O ATOM 0 H GLU A 22 -11.857 0.458 5.053 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.592 1.361 5.894 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.179 1.250 7.744 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.852 1.544 8.175 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.476 -0.723 7.882 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.158 -1.052 6.775 1.00 0.00 H new ATOM 329 N ILE A 23 -12.844 3.591 6.752 1.00 0.00 N ATOM 330 CA ILE A 23 -12.312 4.963 6.522 1.00 0.00 C ATOM 331 C ILE A 23 -10.789 4.953 6.684 1.00 0.00 C ATOM 332 O ILE A 23 -10.065 5.504 5.880 1.00 0.00 O ATOM 333 CB ILE A 23 -12.938 5.926 7.536 1.00 0.00 C ATOM 334 CG1 ILE A 23 -14.372 6.248 7.107 1.00 0.00 C ATOM 335 CG2 ILE A 23 -12.125 7.221 7.597 1.00 0.00 C ATOM 336 CD1 ILE A 23 -15.226 4.982 7.187 1.00 0.00 C ATOM 0 H ILE A 23 -13.094 3.378 7.718 1.00 0.00 H new ATOM 0 HA ILE A 23 -12.562 5.290 5.513 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.942 5.459 8.521 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -14.790 7.022 7.750 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -14.379 6.640 6.090 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.576 7.900 8.320 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.103 6.995 7.901 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -12.116 7.691 6.614 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -16.247 5.212 6.882 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -14.812 4.221 6.525 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -15.229 4.609 8.211 1.00 0.00 H new ATOM 348 N ASP A 24 -10.299 4.332 7.721 1.00 0.00 N ATOM 349 CA ASP A 24 -8.825 4.289 7.938 1.00 0.00 C ATOM 350 C ASP A 24 -8.178 3.339 6.927 1.00 0.00 C ATOM 351 O ASP A 24 -7.137 3.625 6.370 1.00 0.00 O ATOM 352 CB ASP A 24 -8.537 3.794 9.357 1.00 0.00 C ATOM 353 CG ASP A 24 -9.424 2.585 9.663 1.00 0.00 C ATOM 354 OD1 ASP A 24 -9.116 1.510 9.174 1.00 0.00 O ATOM 355 OD2 ASP A 24 -10.396 2.754 10.379 1.00 0.00 O ATOM 0 H ASP A 24 -10.856 3.852 8.428 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.412 5.289 7.805 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.486 3.521 9.453 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.727 4.590 10.077 1.00 0.00 H new ATOM 360 N ASP A 25 -8.781 2.205 6.692 1.00 0.00 N ATOM 361 CA ASP A 25 -8.193 1.235 5.723 1.00 0.00 C ATOM 362 C ASP A 25 -8.254 1.807 4.303 1.00 0.00 C ATOM 363 O ASP A 25 -7.471 1.446 3.448 1.00 0.00 O ATOM 364 CB ASP A 25 -8.979 -0.077 5.778 1.00 0.00 C ATOM 365 CG ASP A 25 -8.470 -0.927 6.944 1.00 0.00 C ATOM 366 OD1 ASP A 25 -7.271 -0.931 7.168 1.00 0.00 O ATOM 367 OD2 ASP A 25 -9.287 -1.559 7.592 1.00 0.00 O ATOM 0 H ASP A 25 -9.654 1.908 7.128 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.152 1.052 5.988 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.042 0.128 5.901 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.865 -0.621 4.840 1.00 0.00 H new ATOM 372 N ILE A 26 -9.176 2.693 4.044 1.00 0.00 N ATOM 373 CA ILE A 26 -9.280 3.278 2.676 1.00 0.00 C ATOM 374 C ILE A 26 -7.966 3.991 2.323 1.00 0.00 C ATOM 375 O ILE A 26 -7.358 3.721 1.306 1.00 0.00 O ATOM 376 CB ILE A 26 -10.464 4.263 2.637 1.00 0.00 C ATOM 377 CG1 ILE A 26 -11.722 3.513 2.190 1.00 0.00 C ATOM 378 CG2 ILE A 26 -10.193 5.409 1.654 1.00 0.00 C ATOM 379 CD1 ILE A 26 -12.952 4.391 2.428 1.00 0.00 C ATOM 0 H ILE A 26 -9.860 3.037 4.718 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.453 2.490 1.943 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.600 4.683 3.634 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.647 3.252 1.134 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.817 2.578 2.743 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.044 6.090 1.645 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.299 5.950 1.963 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.044 5.003 0.654 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.847 3.857 2.110 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -13.029 4.629 3.489 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.857 5.313 1.855 1.00 0.00 H new ATOM 391 N ASN A 27 -7.528 4.902 3.148 1.00 0.00 N ATOM 392 CA ASN A 27 -6.259 5.629 2.848 1.00 0.00 C ATOM 393 C ASN A 27 -5.070 4.843 3.403 1.00 0.00 C ATOM 394 O ASN A 27 -4.123 5.410 3.911 1.00 0.00 O ATOM 395 CB ASN A 27 -6.300 7.015 3.495 1.00 0.00 C ATOM 396 CG ASN A 27 -7.512 7.788 2.973 1.00 0.00 C ATOM 397 OD1 ASN A 27 -8.530 7.863 3.631 1.00 0.00 O ATOM 398 ND2 ASN A 27 -7.444 8.374 1.807 1.00 0.00 N ATOM 0 H ASN A 27 -7.991 5.175 4.015 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.150 5.733 1.768 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -6.356 6.920 4.579 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.383 7.560 3.270 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.246 8.894 1.450 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.589 8.311 1.254 1.00 0.00 H new ATOM 405 N PHE A 28 -5.104 3.543 3.306 1.00 0.00 N ATOM 406 CA PHE A 28 -3.968 2.730 3.823 1.00 0.00 C ATOM 407 C PHE A 28 -3.484 1.781 2.727 1.00 0.00 C ATOM 408 O PHE A 28 -4.211 0.917 2.276 1.00 0.00 O ATOM 409 CB PHE A 28 -4.420 1.917 5.038 1.00 0.00 C ATOM 410 CG PHE A 28 -3.213 1.282 5.687 1.00 0.00 C ATOM 411 CD1 PHE A 28 -2.760 0.032 5.249 1.00 0.00 C ATOM 412 CD2 PHE A 28 -2.546 1.945 6.724 1.00 0.00 C ATOM 413 CE1 PHE A 28 -1.638 -0.554 5.847 1.00 0.00 C ATOM 414 CE2 PHE A 28 -1.425 1.358 7.323 1.00 0.00 C ATOM 415 CZ PHE A 28 -0.970 0.108 6.884 1.00 0.00 C ATOM 0 H PHE A 28 -5.868 3.009 2.892 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.156 3.394 4.119 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.934 2.561 5.751 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.130 1.149 4.733 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.276 -0.480 4.450 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.896 2.909 7.062 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.287 -1.518 5.508 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.911 1.869 8.124 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.105 -0.345 7.345 1.00 0.00 H new ATOM 425 N PHE A 29 -2.264 1.934 2.293 1.00 0.00 N ATOM 426 CA PHE A 29 -1.736 1.042 1.225 1.00 0.00 C ATOM 427 C PHE A 29 -0.224 0.890 1.390 1.00 0.00 C ATOM 428 O PHE A 29 0.444 1.800 1.840 1.00 0.00 O ATOM 429 CB PHE A 29 -2.027 1.658 -0.144 1.00 0.00 C ATOM 430 CG PHE A 29 -1.889 3.159 -0.051 1.00 0.00 C ATOM 431 CD1 PHE A 29 -0.625 3.738 0.143 1.00 0.00 C ATOM 432 CD2 PHE A 29 -3.025 3.970 -0.150 1.00 0.00 C ATOM 433 CE1 PHE A 29 -0.505 5.131 0.236 1.00 0.00 C ATOM 434 CE2 PHE A 29 -2.904 5.361 -0.058 1.00 0.00 C ATOM 435 CZ PHE A 29 -1.644 5.941 0.136 1.00 0.00 C ATOM 0 H PHE A 29 -1.610 2.639 2.632 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.216 0.066 1.300 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.336 1.262 -0.889 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.033 1.392 -0.469 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.252 3.112 0.220 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.996 3.522 -0.298 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.466 5.580 0.385 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.781 5.986 -0.136 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.550 7.014 0.209 1.00 0.00 H new ATOM 445 N PRO A 30 0.274 -0.257 1.013 1.00 0.00 N ATOM 446 CA PRO A 30 1.707 -0.559 1.097 1.00 0.00 C ATOM 447 C PRO A 30 2.446 0.070 -0.086 1.00 0.00 C ATOM 448 O PRO A 30 3.625 -0.142 -0.265 1.00 0.00 O ATOM 449 CB PRO A 30 1.758 -2.085 1.018 1.00 0.00 C ATOM 450 CG PRO A 30 0.447 -2.531 0.330 1.00 0.00 C ATOM 451 CD PRO A 30 -0.546 -1.361 0.476 1.00 0.00 C ATOM 0 HA PRO A 30 2.178 -0.169 1.999 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.627 -2.416 0.449 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.843 -2.523 2.013 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.620 -2.763 -0.721 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.053 -3.434 0.796 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -0.993 -1.096 -0.482 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.364 -1.614 1.150 1.00 0.00 H new ATOM 459 N CYS A 31 1.765 0.837 -0.897 1.00 0.00 N ATOM 460 CA CYS A 31 2.443 1.468 -2.066 1.00 0.00 C ATOM 461 C CYS A 31 1.831 2.842 -2.347 1.00 0.00 C ATOM 462 O CYS A 31 0.731 3.139 -1.931 1.00 0.00 O ATOM 463 CB CYS A 31 2.280 0.578 -3.295 1.00 0.00 C ATOM 464 SG CYS A 31 3.367 1.177 -4.609 1.00 0.00 S ATOM 0 H CYS A 31 0.773 1.053 -0.800 1.00 0.00 H new ATOM 0 HA CYS A 31 3.503 1.587 -1.840 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.525 -0.455 -3.046 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.243 0.588 -3.631 1.00 0.00 H new ATOM 0 HG CYS A 31 2.663 1.434 -5.671 1.00 0.00 H new ATOM 469 N THR A 32 2.540 3.685 -3.048 1.00 0.00 N ATOM 470 CA THR A 32 2.006 5.046 -3.346 1.00 0.00 C ATOM 471 C THR A 32 1.227 5.041 -4.667 1.00 0.00 C ATOM 472 O THR A 32 0.335 5.842 -4.866 1.00 0.00 O ATOM 473 CB THR A 32 3.170 6.034 -3.450 1.00 0.00 C ATOM 474 OG1 THR A 32 4.387 5.364 -3.157 1.00 0.00 O ATOM 475 CG2 THR A 32 2.961 7.176 -2.455 1.00 0.00 C ATOM 0 H THR A 32 3.467 3.490 -3.428 1.00 0.00 H new ATOM 0 HA THR A 32 1.333 5.343 -2.542 1.00 0.00 H new ATOM 0 HB THR A 32 3.214 6.439 -4.461 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.133 5.996 -3.225 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.790 7.880 -2.529 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.027 7.690 -2.682 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.916 6.773 -1.443 1.00 0.00 H new ATOM 483 N CYS A 33 1.558 4.163 -5.578 1.00 0.00 N ATOM 484 CA CYS A 33 0.832 4.140 -6.884 1.00 0.00 C ATOM 485 C CYS A 33 -0.671 4.301 -6.643 1.00 0.00 C ATOM 486 O CYS A 33 -1.364 4.942 -7.409 1.00 0.00 O ATOM 487 CB CYS A 33 1.100 2.821 -7.612 1.00 0.00 C ATOM 488 SG CYS A 33 0.323 1.455 -6.716 1.00 0.00 S ATOM 0 H CYS A 33 2.295 3.465 -5.476 1.00 0.00 H new ATOM 0 HA CYS A 33 1.189 4.964 -7.502 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.709 2.870 -8.628 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.174 2.651 -7.692 1.00 0.00 H new ATOM 0 HG CYS A 33 1.171 0.477 -6.596 1.00 0.00 H new ATOM 493 N GLY A 34 -1.181 3.737 -5.584 1.00 0.00 N ATOM 494 CA GLY A 34 -2.638 3.877 -5.302 1.00 0.00 C ATOM 495 C GLY A 34 -3.316 2.507 -5.327 1.00 0.00 C ATOM 496 O GLY A 34 -4.492 2.396 -5.612 1.00 0.00 O ATOM 0 H GLY A 34 -0.656 3.188 -4.904 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.784 4.345 -4.328 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.098 4.532 -6.042 1.00 0.00 H new ATOM 500 N TYR A 35 -2.595 1.463 -5.023 1.00 0.00 N ATOM 501 CA TYR A 35 -3.217 0.110 -5.020 1.00 0.00 C ATOM 502 C TYR A 35 -3.842 -0.136 -3.645 1.00 0.00 C ATOM 503 O TYR A 35 -3.465 -1.040 -2.928 1.00 0.00 O ATOM 504 CB TYR A 35 -2.153 -0.953 -5.309 1.00 0.00 C ATOM 505 CG TYR A 35 -2.796 -2.135 -5.997 1.00 0.00 C ATOM 506 CD1 TYR A 35 -3.705 -1.928 -7.043 1.00 0.00 C ATOM 507 CD2 TYR A 35 -2.480 -3.438 -5.592 1.00 0.00 C ATOM 508 CE1 TYR A 35 -4.297 -3.024 -7.683 1.00 0.00 C ATOM 509 CE2 TYR A 35 -3.072 -4.533 -6.233 1.00 0.00 C ATOM 510 CZ TYR A 35 -3.981 -4.326 -7.278 1.00 0.00 C ATOM 511 OH TYR A 35 -4.563 -5.406 -7.909 1.00 0.00 O ATOM 0 H TYR A 35 -1.605 1.488 -4.777 1.00 0.00 H new ATOM 0 HA TYR A 35 -3.985 0.051 -5.792 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.368 -0.535 -5.939 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.681 -1.272 -4.380 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.949 -0.923 -7.356 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.780 -3.598 -4.785 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -4.998 -2.865 -8.489 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -2.828 -5.538 -5.921 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.234 -6.237 -7.506 1.00 0.00 H new ATOM 521 N GLN A 36 -4.788 0.682 -3.275 1.00 0.00 N ATOM 522 CA GLN A 36 -5.450 0.535 -1.949 1.00 0.00 C ATOM 523 C GLN A 36 -5.708 -0.943 -1.643 1.00 0.00 C ATOM 524 O GLN A 36 -6.221 -1.679 -2.462 1.00 0.00 O ATOM 525 CB GLN A 36 -6.779 1.294 -1.970 1.00 0.00 C ATOM 526 CG GLN A 36 -7.296 1.473 -0.542 1.00 0.00 C ATOM 527 CD GLN A 36 -8.565 2.326 -0.565 1.00 0.00 C ATOM 528 OE1 GLN A 36 -9.629 1.863 -0.208 1.00 0.00 O ATOM 529 NE2 GLN A 36 -8.498 3.563 -0.974 1.00 0.00 N ATOM 0 H GLN A 36 -5.134 1.456 -3.842 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.799 0.942 -1.175 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.645 2.267 -2.443 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.511 0.748 -2.566 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.506 0.501 -0.095 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.535 1.950 0.075 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.605 3.953 -1.274 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -9.339 4.140 -0.994 1.00 0.00 H new ATOM 538 N ILE A 37 -5.361 -1.375 -0.460 1.00 0.00 N ATOM 539 CA ILE A 37 -5.587 -2.798 -0.080 1.00 0.00 C ATOM 540 C ILE A 37 -5.991 -2.864 1.395 1.00 0.00 C ATOM 541 O ILE A 37 -6.083 -1.857 2.067 1.00 0.00 O ATOM 542 CB ILE A 37 -4.301 -3.601 -0.285 1.00 0.00 C ATOM 543 CG1 ILE A 37 -3.117 -2.826 0.298 1.00 0.00 C ATOM 544 CG2 ILE A 37 -4.072 -3.836 -1.777 1.00 0.00 C ATOM 545 CD1 ILE A 37 -2.739 -3.419 1.658 1.00 0.00 C ATOM 0 H ILE A 37 -4.928 -0.799 0.263 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.377 -3.218 -0.703 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.392 -4.562 0.221 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.266 -2.876 -0.381 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.376 -1.773 0.408 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -3.155 -4.408 -1.919 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.914 -4.391 -2.191 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.983 -2.877 -2.287 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.896 -2.867 2.074 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.590 -3.346 2.336 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.462 -4.466 1.534 1.00 0.00 H new ATOM 557 N CYS A 38 -6.224 -4.040 1.907 1.00 0.00 N ATOM 558 CA CYS A 38 -6.613 -4.163 3.338 1.00 0.00 C ATOM 559 C CYS A 38 -5.346 -4.333 4.184 1.00 0.00 C ATOM 560 O CYS A 38 -4.255 -4.453 3.663 1.00 0.00 O ATOM 561 CB CYS A 38 -7.550 -5.367 3.515 1.00 0.00 C ATOM 562 SG CYS A 38 -6.602 -6.911 3.504 1.00 0.00 S ATOM 0 H CYS A 38 -6.162 -4.921 1.396 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.141 -3.266 3.663 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.097 -5.275 4.453 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.290 -5.381 2.715 1.00 0.00 H new ATOM 0 HG CYS A 38 -7.237 -7.805 2.806 1.00 0.00 H new ATOM 567 N ARG A 39 -5.474 -4.334 5.483 1.00 0.00 N ATOM 568 CA ARG A 39 -4.265 -4.485 6.344 1.00 0.00 C ATOM 569 C ARG A 39 -3.941 -5.969 6.536 1.00 0.00 C ATOM 570 O ARG A 39 -2.869 -6.325 6.982 1.00 0.00 O ATOM 571 CB ARG A 39 -4.524 -3.839 7.707 1.00 0.00 C ATOM 572 CG ARG A 39 -3.782 -2.504 7.784 1.00 0.00 C ATOM 573 CD ARG A 39 -3.776 -1.999 9.229 1.00 0.00 C ATOM 574 NE ARG A 39 -5.120 -2.203 9.835 1.00 0.00 N ATOM 575 CZ ARG A 39 -5.302 -1.966 11.105 1.00 0.00 C ATOM 576 NH1 ARG A 39 -4.420 -1.273 11.772 1.00 0.00 N ATOM 577 NH2 ARG A 39 -6.364 -2.425 11.709 1.00 0.00 N ATOM 0 H ARG A 39 -6.357 -4.237 5.984 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.420 -3.994 5.861 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.593 -3.683 7.851 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.189 -4.501 8.505 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.759 -2.624 7.427 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.263 -1.772 7.135 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.021 -2.531 9.808 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.511 -0.942 9.254 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.897 -2.527 9.259 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.589 -0.917 11.300 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.562 -1.088 12.765 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.052 -2.969 11.188 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.506 -2.240 12.702 1.00 0.00 H new ATOM 591 N PHE A 40 -4.855 -6.839 6.205 1.00 0.00 N ATOM 592 CA PHE A 40 -4.589 -8.296 6.375 1.00 0.00 C ATOM 593 C PHE A 40 -3.825 -8.821 5.155 1.00 0.00 C ATOM 594 O PHE A 40 -3.278 -9.906 5.173 1.00 0.00 O ATOM 595 CB PHE A 40 -5.917 -9.043 6.513 1.00 0.00 C ATOM 596 CG PHE A 40 -6.717 -8.448 7.649 1.00 0.00 C ATOM 597 CD1 PHE A 40 -6.139 -8.312 8.919 1.00 0.00 C ATOM 598 CD2 PHE A 40 -8.037 -8.031 7.434 1.00 0.00 C ATOM 599 CE1 PHE A 40 -6.882 -7.759 9.971 1.00 0.00 C ATOM 600 CE2 PHE A 40 -8.778 -7.478 8.485 1.00 0.00 C ATOM 601 CZ PHE A 40 -8.200 -7.342 9.753 1.00 0.00 C ATOM 0 H PHE A 40 -5.772 -6.605 5.825 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.990 -8.456 7.272 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -6.482 -8.976 5.583 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -5.733 -10.101 6.699 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -5.122 -8.633 9.087 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.483 -8.136 6.456 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -6.437 -7.655 10.950 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -9.795 -7.156 8.318 1.00 0.00 H new ATOM 0 HZ PHE A 40 -8.772 -6.915 10.564 1.00 0.00 H new ATOM 611 N CYS A 41 -3.776 -8.054 4.099 1.00 0.00 N ATOM 612 CA CYS A 41 -3.041 -8.499 2.880 1.00 0.00 C ATOM 613 C CYS A 41 -1.595 -8.008 2.959 1.00 0.00 C ATOM 614 O CYS A 41 -0.700 -8.577 2.366 1.00 0.00 O ATOM 615 CB CYS A 41 -3.717 -7.922 1.632 1.00 0.00 C ATOM 616 SG CYS A 41 -4.969 -9.084 1.028 1.00 0.00 S ATOM 0 H CYS A 41 -4.215 -7.136 4.028 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.054 -9.587 2.820 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -4.179 -6.963 1.867 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -2.974 -7.736 0.856 1.00 0.00 H new ATOM 0 HG CYS A 41 -5.928 -8.426 0.448 1.00 0.00 H new ATOM 621 N TRP A 42 -1.362 -6.952 3.688 1.00 0.00 N ATOM 622 CA TRP A 42 0.021 -6.416 3.811 1.00 0.00 C ATOM 623 C TRP A 42 0.736 -7.115 4.970 1.00 0.00 C ATOM 624 O TRP A 42 1.934 -7.314 4.946 1.00 0.00 O ATOM 625 CB TRP A 42 -0.039 -4.913 4.084 1.00 0.00 C ATOM 626 CG TRP A 42 1.339 -4.396 4.348 1.00 0.00 C ATOM 627 CD1 TRP A 42 2.317 -4.281 3.421 1.00 0.00 C ATOM 628 CD2 TRP A 42 1.908 -3.924 5.604 1.00 0.00 C ATOM 629 NE1 TRP A 42 3.448 -3.764 4.024 1.00 0.00 N ATOM 630 CE2 TRP A 42 3.248 -3.530 5.370 1.00 0.00 C ATOM 631 CE3 TRP A 42 1.399 -3.800 6.909 1.00 0.00 C ATOM 632 CZ2 TRP A 42 4.053 -3.031 6.395 1.00 0.00 C ATOM 633 CZ3 TRP A 42 2.206 -3.299 7.943 1.00 0.00 C ATOM 634 CH2 TRP A 42 3.530 -2.916 7.686 1.00 0.00 C ATOM 0 H TRP A 42 -2.073 -6.436 4.206 1.00 0.00 H new ATOM 0 HA TRP A 42 0.566 -6.597 2.884 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.475 -4.395 3.230 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.683 -4.714 4.940 1.00 0.00 H new ATOM 0 HD1 TRP A 42 2.229 -4.550 2.379 1.00 0.00 H new ATOM 0 HE1 TRP A 42 4.323 -3.578 3.535 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.380 -4.092 7.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 5.072 -2.736 6.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.805 -3.208 8.942 1.00 0.00 H new ATOM 0 HH2 TRP A 42 4.146 -2.532 8.486 1.00 0.00 H new ATOM 645 N HIS A 43 0.008 -7.483 5.986 1.00 0.00 N ATOM 646 CA HIS A 43 0.639 -8.165 7.151 1.00 0.00 C ATOM 647 C HIS A 43 1.258 -9.489 6.699 1.00 0.00 C ATOM 648 O HIS A 43 2.034 -10.097 7.411 1.00 0.00 O ATOM 649 CB HIS A 43 -0.425 -8.438 8.215 1.00 0.00 C ATOM 650 CG HIS A 43 -0.134 -7.611 9.437 1.00 0.00 C ATOM 651 ND1 HIS A 43 -0.029 -8.171 10.699 1.00 0.00 N ATOM 652 CD2 HIS A 43 0.078 -6.265 9.604 1.00 0.00 C ATOM 653 CE1 HIS A 43 0.237 -7.174 11.564 1.00 0.00 C ATOM 654 NE2 HIS A 43 0.312 -5.991 10.948 1.00 0.00 N ATOM 0 H HIS A 43 -0.999 -7.341 6.061 1.00 0.00 H new ATOM 0 HA HIS A 43 1.418 -7.526 7.567 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.414 -8.196 7.826 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.434 -9.497 8.473 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.065 -5.530 8.812 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.373 -7.314 12.626 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.500 -5.082 11.372 1.00 0.00 H new ATOM 662 N ARG A 44 0.922 -9.944 5.524 1.00 0.00 N ATOM 663 CA ARG A 44 1.490 -11.230 5.033 1.00 0.00 C ATOM 664 C ARG A 44 2.519 -10.951 3.935 1.00 0.00 C ATOM 665 O ARG A 44 3.505 -11.649 3.805 1.00 0.00 O ATOM 666 CB ARG A 44 0.366 -12.100 4.469 1.00 0.00 C ATOM 667 CG ARG A 44 0.923 -13.476 4.098 1.00 0.00 C ATOM 668 CD ARG A 44 0.125 -14.562 4.823 1.00 0.00 C ATOM 669 NE ARG A 44 0.719 -14.796 6.169 1.00 0.00 N ATOM 670 CZ ARG A 44 0.439 -13.988 7.155 1.00 0.00 C ATOM 671 NH1 ARG A 44 1.370 -13.225 7.657 1.00 0.00 N ATOM 672 NH2 ARG A 44 -0.773 -13.944 7.638 1.00 0.00 N ATOM 0 H ARG A 44 0.278 -9.481 4.883 1.00 0.00 H new ATOM 0 HA ARG A 44 1.975 -11.751 5.859 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.431 -12.205 5.205 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.071 -11.624 3.591 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.864 -13.625 3.020 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.976 -13.540 4.372 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.917 -14.259 4.921 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.135 -15.485 4.243 1.00 0.00 H new ATOM 0 HE ARG A 44 1.344 -15.588 6.320 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.317 -13.260 7.279 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.151 -12.593 8.428 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.501 -14.541 7.245 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.992 -13.313 8.409 1.00 0.00 H new ATOM 686 N ILE A 45 2.297 -9.940 3.140 1.00 0.00 N ATOM 687 CA ILE A 45 3.264 -9.625 2.050 1.00 0.00 C ATOM 688 C ILE A 45 4.603 -9.200 2.659 1.00 0.00 C ATOM 689 O ILE A 45 5.654 -9.434 2.095 1.00 0.00 O ATOM 690 CB ILE A 45 2.709 -8.489 1.188 1.00 0.00 C ATOM 691 CG1 ILE A 45 1.533 -9.009 0.360 1.00 0.00 C ATOM 692 CG2 ILE A 45 3.803 -7.977 0.248 1.00 0.00 C ATOM 693 CD1 ILE A 45 0.556 -7.865 0.083 1.00 0.00 C ATOM 0 H ILE A 45 1.489 -9.320 3.198 1.00 0.00 H new ATOM 0 HA ILE A 45 3.414 -10.510 1.431 1.00 0.00 H new ATOM 0 HB ILE A 45 2.374 -7.676 1.832 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.894 -9.428 -0.579 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.026 -9.813 0.894 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.406 -7.168 -0.365 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.644 -7.608 0.835 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.139 -8.790 -0.396 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.282 -8.237 -0.507 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.186 -7.466 1.027 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.067 -7.076 -0.469 1.00 0.00 H new ATOM 705 N ARG A 46 4.573 -8.575 3.804 1.00 0.00 N ATOM 706 CA ARG A 46 5.845 -8.133 4.447 1.00 0.00 C ATOM 707 C ARG A 46 6.372 -9.244 5.358 1.00 0.00 C ATOM 708 O ARG A 46 7.218 -9.018 6.200 1.00 0.00 O ATOM 709 CB ARG A 46 5.583 -6.874 5.277 1.00 0.00 C ATOM 710 CG ARG A 46 5.799 -5.629 4.410 1.00 0.00 C ATOM 711 CD ARG A 46 7.297 -5.384 4.187 1.00 0.00 C ATOM 712 NE ARG A 46 8.095 -6.066 5.246 1.00 0.00 N ATOM 713 CZ ARG A 46 8.516 -5.394 6.283 1.00 0.00 C ATOM 714 NH1 ARG A 46 7.677 -4.684 6.986 1.00 0.00 N ATOM 715 NH2 ARG A 46 9.777 -5.433 6.618 1.00 0.00 N ATOM 0 H ARG A 46 3.724 -8.351 4.323 1.00 0.00 H new ATOM 0 HA ARG A 46 6.585 -7.915 3.677 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.564 -6.887 5.664 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.250 -6.849 6.138 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.298 -5.755 3.450 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.350 -4.760 4.892 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.591 -5.755 3.205 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.503 -4.314 4.199 1.00 0.00 H new ATOM 0 HE ARG A 46 8.312 -7.059 5.160 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.691 -4.654 6.726 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.007 -4.159 7.796 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.433 -5.989 6.069 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.106 -4.908 7.428 1.00 0.00 H new ATOM 729 N THR A 47 5.880 -10.443 5.199 1.00 0.00 N ATOM 730 CA THR A 47 6.356 -11.562 6.061 1.00 0.00 C ATOM 731 C THR A 47 6.907 -12.689 5.186 1.00 0.00 C ATOM 732 O THR A 47 8.028 -13.128 5.354 1.00 0.00 O ATOM 733 CB THR A 47 5.191 -12.091 6.901 1.00 0.00 C ATOM 734 OG1 THR A 47 4.238 -11.057 7.089 1.00 0.00 O ATOM 735 CG2 THR A 47 5.715 -12.561 8.259 1.00 0.00 C ATOM 0 H THR A 47 5.171 -10.695 4.511 1.00 0.00 H new ATOM 0 HA THR A 47 7.145 -11.199 6.720 1.00 0.00 H new ATOM 0 HB THR A 47 4.720 -12.928 6.386 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.386 -11.446 7.377 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.886 -12.938 8.858 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.447 -13.355 8.112 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.186 -11.725 8.776 1.00 0.00 H new ATOM 743 N ASP A 48 6.129 -13.166 4.253 1.00 0.00 N ATOM 744 CA ASP A 48 6.613 -14.269 3.373 1.00 0.00 C ATOM 745 C ASP A 48 6.731 -13.764 1.933 1.00 0.00 C ATOM 746 O ASP A 48 6.687 -14.532 0.992 1.00 0.00 O ATOM 747 CB ASP A 48 5.622 -15.433 3.427 1.00 0.00 C ATOM 748 CG ASP A 48 5.318 -15.778 4.886 1.00 0.00 C ATOM 749 OD1 ASP A 48 4.843 -14.906 5.594 1.00 0.00 O ATOM 750 OD2 ASP A 48 5.564 -16.909 5.269 1.00 0.00 O ATOM 0 H ASP A 48 5.181 -12.841 4.062 1.00 0.00 H new ATOM 0 HA ASP A 48 7.591 -14.606 3.718 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.702 -15.166 2.906 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.037 -16.302 2.916 1.00 0.00 H new ATOM 755 N GLU A 49 6.879 -12.481 1.752 1.00 0.00 N ATOM 756 CA GLU A 49 7.000 -11.936 0.371 1.00 0.00 C ATOM 757 C GLU A 49 8.247 -11.056 0.276 1.00 0.00 C ATOM 758 O GLU A 49 9.182 -11.205 1.037 1.00 0.00 O ATOM 759 CB GLU A 49 5.761 -11.101 0.041 1.00 0.00 C ATOM 760 CG GLU A 49 5.167 -11.570 -1.289 1.00 0.00 C ATOM 761 CD GLU A 49 4.664 -13.008 -1.145 1.00 0.00 C ATOM 762 OE1 GLU A 49 4.328 -13.389 -0.036 1.00 0.00 O ATOM 763 OE2 GLU A 49 4.624 -13.703 -2.147 1.00 0.00 O ATOM 0 H GLU A 49 6.921 -11.788 2.499 1.00 0.00 H new ATOM 0 HA GLU A 49 7.082 -12.760 -0.338 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.022 -11.199 0.836 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.027 -10.046 -0.019 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.348 -10.915 -1.585 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.920 -11.514 -2.075 1.00 0.00 H new ATOM 770 N ASN A 50 8.266 -10.139 -0.651 1.00 0.00 N ATOM 771 CA ASN A 50 9.451 -9.248 -0.794 1.00 0.00 C ATOM 772 C ASN A 50 9.062 -7.819 -0.410 1.00 0.00 C ATOM 773 O ASN A 50 9.896 -6.938 -0.332 1.00 0.00 O ATOM 774 CB ASN A 50 9.933 -9.271 -2.246 1.00 0.00 C ATOM 775 CG ASN A 50 11.385 -9.747 -2.296 1.00 0.00 C ATOM 776 OD1 ASN A 50 11.814 -10.515 -1.459 1.00 0.00 O ATOM 777 ND2 ASN A 50 12.167 -9.320 -3.250 1.00 0.00 N ATOM 0 H ASN A 50 7.512 -9.968 -1.316 1.00 0.00 H new ATOM 0 HA ASN A 50 10.250 -9.597 -0.140 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.302 -9.933 -2.839 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.850 -8.276 -2.683 1.00 0.00 H new ATOM 0 HD21 ASN A 50 13.137 -9.632 -3.292 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.808 -8.675 -3.954 1.00 0.00 H new ATOM 784 N GLY A 51 7.802 -7.580 -0.166 1.00 0.00 N ATOM 785 CA GLY A 51 7.363 -6.208 0.214 1.00 0.00 C ATOM 786 C GLY A 51 7.243 -5.344 -1.042 1.00 0.00 C ATOM 787 O GLY A 51 7.410 -4.141 -0.997 1.00 0.00 O ATOM 0 H GLY A 51 7.058 -8.276 -0.214 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.404 -6.252 0.731 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.079 -5.764 0.906 1.00 0.00 H new ATOM 791 N LEU A 52 6.956 -5.945 -2.164 1.00 0.00 N ATOM 792 CA LEU A 52 6.827 -5.152 -3.417 1.00 0.00 C ATOM 793 C LEU A 52 5.347 -4.923 -3.727 1.00 0.00 C ATOM 794 O LEU A 52 4.473 -5.452 -3.069 1.00 0.00 O ATOM 795 CB LEU A 52 7.476 -5.911 -4.578 1.00 0.00 C ATOM 796 CG LEU A 52 9.001 -5.808 -4.487 1.00 0.00 C ATOM 797 CD1 LEU A 52 9.617 -6.281 -5.804 1.00 0.00 C ATOM 798 CD2 LEU A 52 9.408 -4.354 -4.234 1.00 0.00 C ATOM 0 H LEU A 52 6.806 -6.949 -2.266 1.00 0.00 H new ATOM 0 HA LEU A 52 7.327 -4.192 -3.287 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.172 -6.958 -4.553 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.132 -5.502 -5.528 1.00 0.00 H new ATOM 0 HG LEU A 52 9.357 -6.431 -3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 52 10.703 -6.209 -5.744 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.331 -7.317 -5.988 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.257 -5.655 -6.620 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.494 -4.286 -4.170 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.053 -3.729 -5.053 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.967 -4.010 -3.298 1.00 0.00 H new ATOM 810 N CYS A 53 5.064 -4.129 -4.722 1.00 0.00 N ATOM 811 CA CYS A 53 3.645 -3.850 -5.078 1.00 0.00 C ATOM 812 C CYS A 53 3.158 -4.867 -6.119 1.00 0.00 C ATOM 813 O CYS A 53 3.751 -4.998 -7.171 1.00 0.00 O ATOM 814 CB CYS A 53 3.549 -2.445 -5.671 1.00 0.00 C ATOM 815 SG CYS A 53 1.815 -1.938 -5.756 1.00 0.00 S ATOM 0 H CYS A 53 5.757 -3.660 -5.306 1.00 0.00 H new ATOM 0 HA CYS A 53 3.026 -3.925 -4.184 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.114 -1.742 -5.059 1.00 0.00 H new ATOM 0 HB3 CYS A 53 3.992 -2.429 -6.667 1.00 0.00 H new ATOM 0 HG CYS A 53 1.363 -1.734 -4.554 1.00 0.00 H new ATOM 820 N PRO A 54 2.081 -5.543 -5.808 1.00 0.00 N ATOM 821 CA PRO A 54 1.489 -6.535 -6.719 1.00 0.00 C ATOM 822 C PRO A 54 0.674 -5.819 -7.801 1.00 0.00 C ATOM 823 O PRO A 54 0.041 -6.440 -8.630 1.00 0.00 O ATOM 824 CB PRO A 54 0.580 -7.363 -5.806 1.00 0.00 C ATOM 825 CG PRO A 54 0.264 -6.473 -4.581 1.00 0.00 C ATOM 826 CD PRO A 54 1.357 -5.388 -4.530 1.00 0.00 C ATOM 0 HA PRO A 54 2.226 -7.148 -7.238 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.335 -7.649 -6.325 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.074 -8.285 -5.499 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.724 -6.023 -4.674 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.261 -7.063 -3.664 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.925 -4.392 -4.435 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.020 -5.530 -3.677 1.00 0.00 H new ATOM 834 N ALA A 55 0.687 -4.512 -7.792 1.00 0.00 N ATOM 835 CA ALA A 55 -0.084 -3.749 -8.811 1.00 0.00 C ATOM 836 C ALA A 55 0.881 -3.011 -9.743 1.00 0.00 C ATOM 837 O ALA A 55 0.890 -3.229 -10.938 1.00 0.00 O ATOM 838 CB ALA A 55 -0.986 -2.732 -8.106 1.00 0.00 C ATOM 0 H ALA A 55 1.200 -3.941 -7.120 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.693 -4.439 -9.395 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.552 -2.171 -8.849 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.675 -3.255 -7.443 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.373 -2.045 -7.523 1.00 0.00 H new ATOM 844 N CYS A 56 1.686 -2.133 -9.207 1.00 0.00 N ATOM 845 CA CYS A 56 2.641 -1.378 -10.067 1.00 0.00 C ATOM 846 C CYS A 56 4.049 -1.982 -9.942 1.00 0.00 C ATOM 847 O CYS A 56 4.933 -1.668 -10.711 1.00 0.00 O ATOM 848 CB CYS A 56 2.647 0.100 -9.647 1.00 0.00 C ATOM 849 SG CYS A 56 3.667 0.331 -8.167 1.00 0.00 S ATOM 0 H CYS A 56 1.723 -1.907 -8.213 1.00 0.00 H new ATOM 0 HA CYS A 56 2.329 -1.448 -11.109 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.031 0.715 -10.461 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.628 0.433 -9.450 1.00 0.00 H new ATOM 0 HG CYS A 56 3.116 -0.280 -7.160 1.00 0.00 H new ATOM 854 N ARG A 57 4.250 -2.853 -8.982 1.00 0.00 N ATOM 855 CA ARG A 57 5.588 -3.507 -8.797 1.00 0.00 C ATOM 856 C ARG A 57 6.505 -2.639 -7.915 1.00 0.00 C ATOM 857 O ARG A 57 7.305 -3.152 -7.158 1.00 0.00 O ATOM 858 CB ARG A 57 6.232 -3.778 -10.173 1.00 0.00 C ATOM 859 CG ARG A 57 7.265 -2.699 -10.530 1.00 0.00 C ATOM 860 CD ARG A 57 8.647 -3.134 -10.037 1.00 0.00 C ATOM 861 NE ARG A 57 9.436 -1.933 -9.640 1.00 0.00 N ATOM 862 CZ ARG A 57 10.343 -1.455 -10.446 1.00 0.00 C ATOM 863 NH1 ARG A 57 10.024 -1.126 -11.668 1.00 0.00 N ATOM 864 NH2 ARG A 57 11.572 -1.306 -10.032 1.00 0.00 N ATOM 0 H ARG A 57 3.538 -3.143 -8.311 1.00 0.00 H new ATOM 0 HA ARG A 57 5.448 -4.459 -8.286 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.713 -4.756 -10.165 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.457 -3.810 -10.939 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.285 -2.542 -11.608 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.987 -1.749 -10.074 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.545 -3.812 -9.189 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.169 -3.681 -10.822 1.00 0.00 H new ATOM 0 HE ARG A 57 9.267 -1.486 -8.739 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.064 -1.243 -11.994 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.734 -0.752 -12.297 1.00 0.00 H new ATOM 0 HH21 ARG A 57 11.823 -1.564 -9.078 1.00 0.00 H new ATOM 0 HH22 ARG A 57 12.281 -0.932 -10.663 1.00 0.00 H new ATOM 878 N LYS A 58 6.405 -1.339 -8.002 1.00 0.00 N ATOM 879 CA LYS A 58 7.285 -0.472 -7.163 1.00 0.00 C ATOM 880 C LYS A 58 7.320 -1.014 -5.731 1.00 0.00 C ATOM 881 O LYS A 58 6.421 -1.716 -5.315 1.00 0.00 O ATOM 882 CB LYS A 58 6.746 0.962 -7.150 1.00 0.00 C ATOM 883 CG LYS A 58 6.901 1.577 -8.542 1.00 0.00 C ATOM 884 CD LYS A 58 5.971 2.786 -8.676 1.00 0.00 C ATOM 885 CE LYS A 58 6.581 3.797 -9.650 1.00 0.00 C ATOM 886 NZ LYS A 58 6.031 3.564 -11.015 1.00 0.00 N ATOM 0 H LYS A 58 5.757 -0.842 -8.613 1.00 0.00 H new ATOM 0 HA LYS A 58 8.292 -0.474 -7.581 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.697 0.965 -6.854 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.286 1.558 -6.415 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.935 1.881 -8.703 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.664 0.837 -9.306 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.992 2.467 -9.033 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.819 3.250 -7.702 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.357 4.813 -9.324 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.666 3.698 -9.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.445 4.250 -11.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.266 2.599 -11.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.998 3.680 -10.997 1.00 0.00 H new ATOM 900 N PRO A 59 8.366 -0.673 -5.021 1.00 0.00 N ATOM 901 CA PRO A 59 8.559 -1.115 -3.628 1.00 0.00 C ATOM 902 C PRO A 59 7.690 -0.297 -2.665 1.00 0.00 C ATOM 903 O PRO A 59 7.406 0.862 -2.896 1.00 0.00 O ATOM 904 CB PRO A 59 10.046 -0.856 -3.373 1.00 0.00 C ATOM 905 CG PRO A 59 10.486 0.217 -4.397 1.00 0.00 C ATOM 906 CD PRO A 59 9.452 0.184 -5.540 1.00 0.00 C ATOM 0 HA PRO A 59 8.275 -2.156 -3.472 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.210 -0.509 -2.353 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.626 -1.771 -3.496 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.521 1.203 -3.934 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.487 0.006 -4.774 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.090 1.184 -5.779 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.881 -0.227 -6.454 1.00 0.00 H new ATOM 914 N TYR A 60 7.269 -0.899 -1.584 1.00 0.00 N ATOM 915 CA TYR A 60 6.422 -0.173 -0.594 1.00 0.00 C ATOM 916 C TYR A 60 7.155 1.086 -0.125 1.00 0.00 C ATOM 917 O TYR A 60 8.354 1.193 -0.288 1.00 0.00 O ATOM 918 CB TYR A 60 6.157 -1.090 0.606 1.00 0.00 C ATOM 919 CG TYR A 60 5.262 -2.243 0.200 1.00 0.00 C ATOM 920 CD1 TYR A 60 4.722 -2.304 -1.093 1.00 0.00 C ATOM 921 CD2 TYR A 60 4.970 -3.252 1.125 1.00 0.00 C ATOM 922 CE1 TYR A 60 3.895 -3.372 -1.457 1.00 0.00 C ATOM 923 CE2 TYR A 60 4.141 -4.320 0.760 1.00 0.00 C ATOM 924 CZ TYR A 60 3.604 -4.381 -0.531 1.00 0.00 C ATOM 925 OH TYR A 60 2.787 -5.432 -0.890 1.00 0.00 O ATOM 0 H TYR A 60 7.477 -1.868 -1.344 1.00 0.00 H new ATOM 0 HA TYR A 60 5.476 0.111 -1.054 1.00 0.00 H new ATOM 0 HB2 TYR A 60 7.101 -1.473 0.995 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.688 -0.522 1.409 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.945 -1.526 -1.808 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.384 -3.207 2.121 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.481 -3.418 -2.453 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.916 -5.097 1.475 1.00 0.00 H new ATOM 0 HH TYR A 60 3.071 -5.785 -1.759 1.00 0.00 H new ATOM 935 N PRO A 61 6.417 2.003 0.452 1.00 0.00 N ATOM 936 CA PRO A 61 6.990 3.263 0.959 1.00 0.00 C ATOM 937 C PRO A 61 7.750 3.013 2.264 1.00 0.00 C ATOM 938 O PRO A 61 7.174 2.981 3.334 1.00 0.00 O ATOM 939 CB PRO A 61 5.765 4.151 1.191 1.00 0.00 C ATOM 940 CG PRO A 61 4.558 3.196 1.345 1.00 0.00 C ATOM 941 CD PRO A 61 4.954 1.877 0.658 1.00 0.00 C ATOM 0 HA PRO A 61 7.707 3.717 0.275 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.892 4.763 2.084 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.616 4.834 0.355 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.326 3.031 2.397 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.666 3.621 0.884 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.712 1.015 1.280 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.428 1.746 -0.288 1.00 0.00 H new