USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 524 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 75 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 79 ASN :FLIP amide:sc= -0.0123 F(o=-0.72,f=-0.012) USER MOD Set 2.1: A 67 GLN :FLIP amide:sc= -2.77! C(o=-4.6!,f=-2.7!) USER MOD Set 2.2: A 71 GLN :FLIP amide:sc= 0.0625 F(o=-5.6,f=-2.7) USER MOD Set 3.1: A 66 THR OG1 : rot -117:sc= 0.0738 USER MOD Set 3.2: A 69 GLN : amide:sc= 0.146 K(o=0.22,f=-5.4!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0421 K(o=-0.042,f=-1.3!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 152:sc= 0.595 (180deg=-0.445) USER MOD Single : A 27 SER OG : rot -23:sc= 0.123 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -157:sc= -0.0862 (180deg=-0.611) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 41 HIS : no HD1:sc= -2.39! C(o=-2.4!,f=-4.6!) USER MOD Single : A 43 SER OG : rot 88:sc= -0.442 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.395 K(o=-0.39,f=-4!) USER MOD Single : A 74 GLN : amide:sc= -0.414 K(o=-0.41,f=-2.2!) USER MOD Single : A 78 GLN :FLIP amide:sc=-0.00131 F(o=-0.88,f=-0.0013) USER MOD Single : A 80 SER OG : rot -56:sc= 0.362 USER MOD ----------------------------------------------------------------- ATOM 147 N ILE A 13 15.724 -1.993 -5.450 1.00 0.00 N ATOM 148 CA ILE A 13 14.238 -1.896 -5.289 1.00 0.00 C ATOM 149 C ILE A 13 13.740 -3.193 -4.634 1.00 0.00 C ATOM 150 O ILE A 13 14.256 -4.263 -4.892 1.00 0.00 O ATOM 151 CB ILE A 13 13.600 -1.675 -6.695 1.00 0.00 C ATOM 152 CG1 ILE A 13 13.311 -0.188 -6.920 1.00 0.00 C ATOM 153 CG2 ILE A 13 12.282 -2.433 -6.858 1.00 0.00 C ATOM 154 CD1 ILE A 13 14.623 0.575 -6.970 1.00 0.00 C ATOM 0 HA ILE A 13 13.955 -1.057 -4.653 1.00 0.00 H new ATOM 0 HB ILE A 13 14.320 -2.049 -7.422 1.00 0.00 H new ATOM 0 HG12 ILE A 13 12.760 -0.049 -7.850 1.00 0.00 H new ATOM 0 HG13 ILE A 13 12.683 0.198 -6.117 1.00 0.00 H new ATOM 0 HG21 ILE A 13 11.876 -2.248 -7.853 1.00 0.00 H new ATOM 0 HG22 ILE A 13 12.458 -3.501 -6.731 1.00 0.00 H new ATOM 0 HG23 ILE A 13 11.570 -2.091 -6.107 1.00 0.00 H new ATOM 0 HD11 ILE A 13 14.422 1.634 -7.130 1.00 0.00 H new ATOM 0 HD12 ILE A 13 15.156 0.445 -6.028 1.00 0.00 H new ATOM 0 HD13 ILE A 13 15.234 0.194 -7.788 1.00 0.00 H new ATOM 166 N ILE A 14 12.758 -3.097 -3.774 1.00 0.00 N ATOM 167 CA ILE A 14 12.228 -4.303 -3.067 1.00 0.00 C ATOM 168 C ILE A 14 10.729 -4.434 -3.336 1.00 0.00 C ATOM 169 O ILE A 14 10.044 -3.447 -3.525 1.00 0.00 O ATOM 170 CB ILE A 14 12.456 -4.109 -1.565 1.00 0.00 C ATOM 171 CG1 ILE A 14 13.958 -3.978 -1.304 1.00 0.00 C ATOM 172 CG2 ILE A 14 11.911 -5.309 -0.787 1.00 0.00 C ATOM 173 CD1 ILE A 14 14.191 -3.553 0.145 1.00 0.00 C ATOM 0 H ILE A 14 12.295 -2.222 -3.528 1.00 0.00 H new ATOM 0 HA ILE A 14 12.734 -5.202 -3.419 1.00 0.00 H new ATOM 0 HB ILE A 14 11.936 -3.209 -1.236 1.00 0.00 H new ATOM 0 HG12 ILE A 14 14.456 -4.928 -1.500 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.393 -3.245 -1.983 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.080 -5.158 0.279 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.842 -5.409 -0.975 1.00 0.00 H new ATOM 0 HG23 ILE A 14 12.423 -6.215 -1.111 1.00 0.00 H new ATOM 0 HD11 ILE A 14 15.261 -3.460 0.329 1.00 0.00 H new ATOM 0 HD12 ILE A 14 13.707 -2.593 0.325 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.771 -4.302 0.816 1.00 0.00 H new ATOM 185 N THR A 15 10.204 -5.634 -3.337 1.00 0.00 N ATOM 186 CA THR A 15 8.743 -5.841 -3.566 1.00 0.00 C ATOM 187 C THR A 15 8.195 -6.685 -2.415 1.00 0.00 C ATOM 188 O THR A 15 8.796 -7.655 -1.999 1.00 0.00 O ATOM 189 CB THR A 15 8.529 -6.580 -4.889 1.00 0.00 C ATOM 190 OG1 THR A 15 9.396 -6.042 -5.878 1.00 0.00 O ATOM 191 CG2 THR A 15 7.077 -6.420 -5.339 1.00 0.00 C ATOM 0 H THR A 15 10.736 -6.491 -3.186 1.00 0.00 H new ATOM 0 HA THR A 15 8.229 -4.881 -3.611 1.00 0.00 H new ATOM 0 HB THR A 15 8.748 -7.639 -4.751 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.260 -6.516 -6.725 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.928 -6.947 -6.281 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.413 -6.836 -4.581 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.853 -5.362 -5.476 1.00 0.00 H new ATOM 199 N THR A 16 7.055 -6.317 -1.904 1.00 0.00 N ATOM 200 CA THR A 16 6.436 -7.079 -0.778 1.00 0.00 C ATOM 201 C THR A 16 4.931 -7.183 -1.031 1.00 0.00 C ATOM 202 O THR A 16 4.338 -6.268 -1.568 1.00 0.00 O ATOM 203 CB THR A 16 6.693 -6.336 0.541 1.00 0.00 C ATOM 204 OG1 THR A 16 6.027 -7.011 1.599 1.00 0.00 O ATOM 205 CG2 THR A 16 6.173 -4.901 0.443 1.00 0.00 C ATOM 0 H THR A 16 6.517 -5.511 -2.221 1.00 0.00 H new ATOM 0 HA THR A 16 6.869 -8.077 -0.713 1.00 0.00 H new ATOM 0 HB THR A 16 7.765 -6.313 0.737 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.191 -6.540 2.442 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.359 -4.381 1.383 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.687 -4.382 -0.366 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.102 -4.915 0.243 1.00 0.00 H new ATOM 213 N GLN A 17 4.304 -8.281 -0.663 1.00 0.00 N ATOM 214 CA GLN A 17 2.824 -8.418 -0.909 1.00 0.00 C ATOM 215 C GLN A 17 2.066 -8.384 0.419 1.00 0.00 C ATOM 216 O GLN A 17 2.544 -8.849 1.434 1.00 0.00 O ATOM 217 CB GLN A 17 2.539 -9.737 -1.631 1.00 0.00 C ATOM 218 CG GLN A 17 3.186 -9.713 -3.017 1.00 0.00 C ATOM 219 CD GLN A 17 3.113 -11.110 -3.637 1.00 0.00 C ATOM 220 OE1 GLN A 17 3.194 -12.102 -2.939 1.00 0.00 O ATOM 221 NE2 GLN A 17 2.964 -11.231 -4.927 1.00 0.00 N ATOM 0 H GLN A 17 4.746 -9.080 -0.208 1.00 0.00 H new ATOM 0 HA GLN A 17 2.490 -7.587 -1.530 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.930 -10.573 -1.051 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.463 -9.888 -1.723 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.676 -8.992 -3.656 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.225 -9.391 -2.940 1.00 0.00 H new ATOM 0 HE21 GLN A 17 2.896 -10.399 -5.513 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.915 -12.158 -5.350 1.00 0.00 H new ATOM 230 N VAL A 18 0.880 -7.824 0.405 1.00 0.00 N ATOM 231 CA VAL A 18 0.048 -7.727 1.643 1.00 0.00 C ATOM 232 C VAL A 18 -1.317 -8.359 1.366 1.00 0.00 C ATOM 233 O VAL A 18 -1.780 -8.380 0.245 1.00 0.00 O ATOM 234 CB VAL A 18 -0.158 -6.244 1.977 1.00 0.00 C ATOM 235 CG1 VAL A 18 -0.728 -6.095 3.389 1.00 0.00 C ATOM 236 CG2 VAL A 18 1.184 -5.513 1.889 1.00 0.00 C ATOM 0 H VAL A 18 0.448 -7.424 -0.428 1.00 0.00 H new ATOM 0 HA VAL A 18 0.540 -8.238 2.471 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.861 -5.813 1.264 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.870 -5.038 3.614 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.686 -6.611 3.451 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.035 -6.530 4.109 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.040 -4.459 2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.885 -5.952 2.599 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.584 -5.607 0.879 1.00 0.00 H new ATOM 246 N THR A 19 -1.966 -8.858 2.387 1.00 0.00 N ATOM 247 CA THR A 19 -3.318 -9.483 2.218 1.00 0.00 C ATOM 248 C THR A 19 -4.288 -8.765 3.163 1.00 0.00 C ATOM 249 O THR A 19 -4.007 -8.592 4.333 1.00 0.00 O ATOM 250 CB THR A 19 -3.240 -10.975 2.569 1.00 0.00 C ATOM 251 OG1 THR A 19 -2.032 -11.515 2.051 1.00 0.00 O ATOM 252 CG2 THR A 19 -4.432 -11.716 1.958 1.00 0.00 C ATOM 0 H THR A 19 -1.614 -8.860 3.344 1.00 0.00 H new ATOM 0 HA THR A 19 -3.662 -9.390 1.188 1.00 0.00 H new ATOM 0 HB THR A 19 -3.262 -11.093 3.652 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.977 -12.468 2.274 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.371 -12.775 2.211 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.359 -11.302 2.353 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.416 -11.600 0.874 1.00 0.00 H new ATOM 260 N ILE A 20 -5.416 -8.327 2.658 1.00 0.00 N ATOM 261 CA ILE A 20 -6.415 -7.593 3.509 1.00 0.00 C ATOM 262 C ILE A 20 -7.796 -8.281 3.383 1.00 0.00 C ATOM 263 O ILE A 20 -8.209 -8.600 2.286 1.00 0.00 O ATOM 264 CB ILE A 20 -6.537 -6.135 2.984 1.00 0.00 C ATOM 265 CG1 ILE A 20 -6.118 -6.084 1.507 1.00 0.00 C ATOM 266 CG2 ILE A 20 -5.632 -5.197 3.795 1.00 0.00 C ATOM 267 CD1 ILE A 20 -6.641 -4.804 0.856 1.00 0.00 C ATOM 0 H ILE A 20 -5.693 -8.446 1.684 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.091 -7.599 4.550 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.573 -5.812 3.089 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.032 -6.124 1.428 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.508 -6.955 0.980 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.729 -4.180 3.415 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.928 -5.222 4.844 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.596 -5.522 3.703 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.338 -4.778 -0.191 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -7.729 -4.782 0.920 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.229 -3.938 1.374 1.00 0.00 H new ATOM 279 N PRO A 21 -8.536 -8.483 4.459 1.00 0.00 N ATOM 280 CA PRO A 21 -9.883 -9.104 4.326 1.00 0.00 C ATOM 281 C PRO A 21 -10.799 -8.246 3.436 1.00 0.00 C ATOM 282 O PRO A 21 -10.779 -7.033 3.499 1.00 0.00 O ATOM 283 CB PRO A 21 -10.388 -9.161 5.783 1.00 0.00 C ATOM 284 CG PRO A 21 -9.334 -8.502 6.695 1.00 0.00 C ATOM 285 CD PRO A 21 -8.105 -8.130 5.843 1.00 0.00 C ATOM 0 HA PRO A 21 -9.864 -10.084 3.850 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.343 -8.643 5.873 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.556 -10.195 6.085 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.748 -7.612 7.169 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.047 -9.185 7.495 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.858 -7.072 5.931 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.220 -8.690 6.145 1.00 0.00 H new ATOM 293 N LYS A 22 -11.572 -8.863 2.589 1.00 0.00 N ATOM 294 CA LYS A 22 -12.457 -8.084 1.675 1.00 0.00 C ATOM 295 C LYS A 22 -13.165 -6.945 2.425 1.00 0.00 C ATOM 296 O LYS A 22 -13.332 -5.864 1.897 1.00 0.00 O ATOM 297 CB LYS A 22 -13.500 -9.017 1.046 1.00 0.00 C ATOM 298 CG LYS A 22 -14.429 -9.581 2.125 1.00 0.00 C ATOM 299 CD LYS A 22 -15.346 -10.636 1.504 1.00 0.00 C ATOM 300 CE LYS A 22 -16.146 -11.329 2.608 1.00 0.00 C ATOM 301 NZ LYS A 22 -16.923 -10.311 3.372 1.00 0.00 N ATOM 0 H LYS A 22 -11.631 -9.876 2.488 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.838 -7.644 0.893 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -14.083 -8.473 0.303 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -13.000 -9.833 0.524 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.843 -10.022 2.931 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -15.023 -8.780 2.564 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -16.023 -10.169 0.788 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.755 -11.368 0.954 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -16.821 -12.067 2.174 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.473 -11.866 3.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -17.779 -10.751 3.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -16.338 -9.937 4.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -17.195 -9.534 2.737 1.00 0.00 H new ATOM 315 N ASP A 23 -13.611 -7.177 3.629 1.00 0.00 N ATOM 316 CA ASP A 23 -14.337 -6.101 4.372 1.00 0.00 C ATOM 317 C ASP A 23 -13.428 -4.894 4.641 1.00 0.00 C ATOM 318 O ASP A 23 -13.798 -3.756 4.395 1.00 0.00 O ATOM 319 CB ASP A 23 -14.870 -6.654 5.694 1.00 0.00 C ATOM 320 CG ASP A 23 -15.892 -7.758 5.411 1.00 0.00 C ATOM 321 OD1 ASP A 23 -16.989 -7.427 4.993 1.00 0.00 O ATOM 322 OD2 ASP A 23 -15.559 -8.913 5.615 1.00 0.00 O ATOM 0 H ASP A 23 -13.506 -8.059 4.131 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.169 -5.765 3.753 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -14.049 -7.049 6.293 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -15.333 -5.856 6.274 1.00 0.00 H new ATOM 327 N LEU A 24 -12.230 -5.110 5.106 1.00 0.00 N ATOM 328 CA LEU A 24 -11.311 -3.969 5.355 1.00 0.00 C ATOM 329 C LEU A 24 -10.757 -3.502 4.016 1.00 0.00 C ATOM 330 O LEU A 24 -10.324 -2.377 3.864 1.00 0.00 O ATOM 331 CB LEU A 24 -10.145 -4.413 6.248 1.00 0.00 C ATOM 332 CG LEU A 24 -10.662 -4.959 7.591 1.00 0.00 C ATOM 333 CD1 LEU A 24 -9.467 -5.324 8.493 1.00 0.00 C ATOM 334 CD2 LEU A 24 -11.537 -3.901 8.291 1.00 0.00 C ATOM 0 H LEU A 24 -11.848 -6.030 5.324 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.853 -3.165 5.853 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.563 -5.181 5.738 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.476 -3.571 6.426 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.263 -5.849 7.406 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.834 -5.711 9.444 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.860 -6.084 8.002 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.861 -4.436 8.672 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.898 -4.297 9.240 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.946 -3.003 8.474 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.387 -3.653 7.655 1.00 0.00 H new ATOM 346 N ALA A 25 -10.763 -4.367 3.040 1.00 0.00 N ATOM 347 CA ALA A 25 -10.237 -3.990 1.709 1.00 0.00 C ATOM 348 C ALA A 25 -11.057 -2.830 1.158 1.00 0.00 C ATOM 349 O ALA A 25 -10.546 -1.926 0.533 1.00 0.00 O ATOM 350 CB ALA A 25 -10.369 -5.178 0.757 1.00 0.00 C ATOM 0 H ALA A 25 -11.113 -5.322 3.113 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.190 -3.701 1.800 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.982 -4.903 -0.224 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.800 -6.022 1.147 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.419 -5.458 0.668 1.00 0.00 H new ATOM 356 N ARG A 26 -12.343 -2.860 1.394 1.00 0.00 N ATOM 357 CA ARG A 26 -13.210 -1.766 0.886 1.00 0.00 C ATOM 358 C ARG A 26 -12.999 -0.537 1.761 1.00 0.00 C ATOM 359 O ARG A 26 -13.159 0.582 1.316 1.00 0.00 O ATOM 360 CB ARG A 26 -14.680 -2.194 0.905 1.00 0.00 C ATOM 361 CG ARG A 26 -14.888 -3.344 -0.083 1.00 0.00 C ATOM 362 CD ARG A 26 -16.352 -3.787 -0.052 1.00 0.00 C ATOM 363 NE ARG A 26 -16.569 -4.850 -1.073 1.00 0.00 N ATOM 364 CZ ARG A 26 -17.648 -5.585 -1.031 1.00 0.00 C ATOM 365 NH1 ARG A 26 -18.536 -5.389 -0.095 1.00 0.00 N ATOM 366 NH2 ARG A 26 -17.838 -6.515 -1.927 1.00 0.00 N ATOM 0 H ARG A 26 -12.825 -3.593 1.915 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.946 -1.534 -0.146 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.966 -2.507 1.909 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -15.319 -1.352 0.639 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -14.615 -3.027 -1.089 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.239 -4.181 0.175 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -16.609 -4.161 0.939 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -17.005 -2.937 -0.251 1.00 0.00 H new ATOM 0 HE ARG A 26 -15.875 -5.004 -1.805 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -18.388 -4.661 0.604 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -19.378 -5.963 -0.063 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -17.144 -6.667 -2.659 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -18.680 -7.089 -1.895 1.00 0.00 H new ATOM 380 N SER A 27 -12.625 -0.723 2.998 1.00 0.00 N ATOM 381 CA SER A 27 -12.388 0.448 3.884 1.00 0.00 C ATOM 382 C SER A 27 -11.062 1.116 3.496 1.00 0.00 C ATOM 383 O SER A 27 -10.889 2.307 3.662 1.00 0.00 O ATOM 384 CB SER A 27 -12.309 -0.024 5.336 1.00 0.00 C ATOM 385 OG SER A 27 -11.195 -0.894 5.488 1.00 0.00 O ATOM 0 H SER A 27 -12.474 -1.634 3.431 1.00 0.00 H new ATOM 0 HA SER A 27 -13.205 1.161 3.775 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.210 0.832 6.004 1.00 0.00 H new ATOM 0 HB3 SER A 27 -13.228 -0.540 5.613 1.00 0.00 H new ATOM 0 HG SER A 27 -10.966 -1.287 4.620 1.00 0.00 H new ATOM 391 N ILE A 28 -10.105 0.353 3.023 1.00 0.00 N ATOM 392 CA ILE A 28 -8.778 0.942 2.680 1.00 0.00 C ATOM 393 C ILE A 28 -8.794 1.548 1.271 1.00 0.00 C ATOM 394 O ILE A 28 -8.306 2.633 1.044 1.00 0.00 O ATOM 395 CB ILE A 28 -7.725 -0.166 2.738 1.00 0.00 C ATOM 396 CG1 ILE A 28 -7.589 -0.668 4.178 1.00 0.00 C ATOM 397 CG2 ILE A 28 -6.382 0.380 2.258 1.00 0.00 C ATOM 398 CD1 ILE A 28 -6.835 -1.999 4.187 1.00 0.00 C ATOM 0 H ILE A 28 -10.188 -0.651 2.861 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.547 1.734 3.392 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.031 -0.991 2.094 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.057 0.067 4.782 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.575 -0.794 4.625 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.632 -0.410 2.300 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.479 0.734 1.232 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.075 1.206 2.900 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.739 -2.356 5.212 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.385 -2.733 3.598 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.843 -1.858 3.757 1.00 0.00 H new ATOM 410 N ILE A 29 -9.329 0.831 0.325 1.00 0.00 N ATOM 411 CA ILE A 29 -9.342 1.360 -1.070 1.00 0.00 C ATOM 412 C ILE A 29 -10.232 2.601 -1.145 1.00 0.00 C ATOM 413 O ILE A 29 -9.967 3.512 -1.896 1.00 0.00 O ATOM 414 CB ILE A 29 -9.857 0.283 -2.034 1.00 0.00 C ATOM 415 CG1 ILE A 29 -9.009 -0.992 -1.895 1.00 0.00 C ATOM 416 CG2 ILE A 29 -9.759 0.794 -3.475 1.00 0.00 C ATOM 417 CD1 ILE A 29 -9.758 -2.170 -2.516 1.00 0.00 C ATOM 0 H ILE A 29 -9.754 -0.088 0.452 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.327 1.633 -1.358 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.896 0.058 -1.792 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.047 -0.858 -2.389 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.802 -1.192 -0.844 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.125 0.028 -4.158 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.362 1.695 -3.583 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.720 1.023 -3.710 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -9.158 -3.075 -2.418 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.709 -2.308 -2.002 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.942 -1.969 -3.571 1.00 0.00 H new ATOM 429 N GLY A 30 -11.293 2.655 -0.389 1.00 0.00 N ATOM 430 CA GLY A 30 -12.187 3.847 -0.457 1.00 0.00 C ATOM 431 C GLY A 30 -13.231 3.608 -1.548 1.00 0.00 C ATOM 432 O GLY A 30 -13.277 2.554 -2.151 1.00 0.00 O ATOM 0 H GLY A 30 -11.580 1.931 0.270 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.674 4.011 0.504 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.607 4.743 -0.677 1.00 0.00 H new ATOM 436 N LYS A 31 -14.068 4.575 -1.817 1.00 0.00 N ATOM 437 CA LYS A 31 -15.103 4.395 -2.880 1.00 0.00 C ATOM 438 C LYS A 31 -14.559 4.899 -4.220 1.00 0.00 C ATOM 439 O LYS A 31 -15.262 4.940 -5.210 1.00 0.00 O ATOM 440 CB LYS A 31 -16.350 5.189 -2.506 1.00 0.00 C ATOM 441 CG LYS A 31 -17.063 4.497 -1.340 1.00 0.00 C ATOM 442 CD LYS A 31 -18.100 5.443 -0.720 1.00 0.00 C ATOM 443 CE LYS A 31 -18.975 6.074 -1.812 1.00 0.00 C ATOM 444 NZ LYS A 31 -20.170 6.706 -1.183 1.00 0.00 N ATOM 0 H LYS A 31 -14.081 5.481 -1.348 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.354 3.338 -2.969 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -16.077 6.207 -2.227 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -17.019 5.262 -3.364 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.552 3.588 -1.691 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -16.336 4.197 -0.585 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -18.726 4.894 -0.016 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -17.594 6.225 -0.154 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -18.404 6.820 -2.366 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -19.286 5.314 -2.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -20.765 7.134 -1.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -20.717 5.983 -0.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -19.863 7.442 -0.515 1.00 0.00 H new ATOM 458 N GLY A 32 -13.315 5.288 -4.256 1.00 0.00 N ATOM 459 CA GLY A 32 -12.724 5.795 -5.529 1.00 0.00 C ATOM 460 C GLY A 32 -11.205 5.653 -5.475 1.00 0.00 C ATOM 461 O GLY A 32 -10.492 6.282 -6.233 1.00 0.00 O ATOM 0 H GLY A 32 -12.680 5.277 -3.458 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.123 5.236 -6.376 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.998 6.839 -5.679 1.00 0.00 H new ATOM 465 N GLY A 33 -10.690 4.853 -4.586 1.00 0.00 N ATOM 466 CA GLY A 33 -9.209 4.712 -4.504 1.00 0.00 C ATOM 467 C GLY A 33 -8.636 5.961 -3.833 1.00 0.00 C ATOM 468 O GLY A 33 -7.459 6.023 -3.535 1.00 0.00 O ATOM 0 H GLY A 33 -11.223 4.295 -3.918 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.945 3.821 -3.934 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.785 4.590 -5.501 1.00 0.00 H new ATOM 472 N GLN A 34 -9.457 6.969 -3.638 1.00 0.00 N ATOM 473 CA GLN A 34 -8.985 8.257 -3.025 1.00 0.00 C ATOM 474 C GLN A 34 -7.898 7.999 -1.968 1.00 0.00 C ATOM 475 O GLN A 34 -7.054 8.840 -1.732 1.00 0.00 O ATOM 476 CB GLN A 34 -10.183 8.942 -2.340 1.00 0.00 C ATOM 477 CG GLN A 34 -11.075 9.620 -3.388 1.00 0.00 C ATOM 478 CD GLN A 34 -12.310 10.206 -2.701 1.00 0.00 C ATOM 479 OE1 GLN A 34 -13.246 9.494 -2.396 1.00 0.00 O ATOM 480 NE2 GLN A 34 -12.352 11.485 -2.443 1.00 0.00 N ATOM 0 H GLN A 34 -10.448 6.954 -3.881 1.00 0.00 H new ATOM 0 HA GLN A 34 -8.567 8.887 -3.810 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -10.761 8.206 -1.781 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -9.827 9.681 -1.622 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.521 10.408 -3.898 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -11.376 8.898 -4.148 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -11.566 12.083 -2.699 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -13.171 11.886 -1.985 1.00 0.00 H new ATOM 489 N ARG A 35 -7.906 6.865 -1.315 1.00 0.00 N ATOM 490 CA ARG A 35 -6.858 6.617 -0.271 1.00 0.00 C ATOM 491 C ARG A 35 -5.605 6.034 -0.929 1.00 0.00 C ATOM 492 O ARG A 35 -4.495 6.382 -0.581 1.00 0.00 O ATOM 493 CB ARG A 35 -7.378 5.612 0.776 1.00 0.00 C ATOM 494 CG ARG A 35 -8.368 6.298 1.730 1.00 0.00 C ATOM 495 CD ARG A 35 -7.660 7.368 2.588 1.00 0.00 C ATOM 496 NE ARG A 35 -8.294 7.417 3.935 1.00 0.00 N ATOM 497 CZ ARG A 35 -7.693 8.033 4.916 1.00 0.00 C ATOM 498 NH1 ARG A 35 -6.539 8.609 4.716 1.00 0.00 N ATOM 499 NH2 ARG A 35 -8.245 8.073 6.098 1.00 0.00 N ATOM 0 H ARG A 35 -8.578 6.111 -1.453 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.621 7.563 0.216 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.865 4.775 0.276 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.542 5.202 1.342 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.171 6.760 1.156 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.829 5.553 2.379 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.600 7.133 2.681 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.730 8.343 2.105 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.197 6.969 4.091 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.107 8.578 3.793 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.070 9.090 5.483 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.147 7.623 6.255 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.775 8.555 6.864 1.00 0.00 H new ATOM 513 N ILE A 36 -5.767 5.149 -1.875 1.00 0.00 N ATOM 514 CA ILE A 36 -4.577 4.553 -2.538 1.00 0.00 C ATOM 515 C ILE A 36 -3.889 5.622 -3.404 1.00 0.00 C ATOM 516 O ILE A 36 -2.701 5.566 -3.643 1.00 0.00 O ATOM 517 CB ILE A 36 -5.017 3.318 -3.364 1.00 0.00 C ATOM 518 CG1 ILE A 36 -4.953 2.050 -2.483 1.00 0.00 C ATOM 519 CG2 ILE A 36 -4.129 3.134 -4.605 1.00 0.00 C ATOM 520 CD1 ILE A 36 -3.516 1.510 -2.386 1.00 0.00 C ATOM 0 H ILE A 36 -6.669 4.815 -2.215 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.852 4.213 -1.798 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.041 3.480 -3.699 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.326 2.279 -1.485 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.605 1.282 -2.899 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.462 2.260 -5.164 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.200 4.019 -5.238 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.094 2.993 -4.294 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.504 0.618 -1.760 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.154 1.258 -3.383 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.870 2.270 -1.947 1.00 0.00 H new ATOM 532 N LYS A 37 -4.629 6.591 -3.874 1.00 0.00 N ATOM 533 CA LYS A 37 -4.012 7.654 -4.719 1.00 0.00 C ATOM 534 C LYS A 37 -3.254 8.641 -3.827 1.00 0.00 C ATOM 535 O LYS A 37 -2.090 8.912 -4.041 1.00 0.00 O ATOM 536 CB LYS A 37 -5.110 8.399 -5.486 1.00 0.00 C ATOM 537 CG LYS A 37 -5.868 7.416 -6.379 1.00 0.00 C ATOM 538 CD LYS A 37 -7.025 8.142 -7.071 1.00 0.00 C ATOM 539 CE LYS A 37 -7.711 7.192 -8.055 1.00 0.00 C ATOM 540 NZ LYS A 37 -6.758 6.829 -9.141 1.00 0.00 N ATOM 0 H LYS A 37 -5.631 6.692 -3.710 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.319 7.198 -5.426 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.797 8.875 -4.787 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.671 9.192 -6.091 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.195 6.991 -7.123 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.249 6.587 -5.783 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.742 8.494 -6.330 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.653 9.021 -7.597 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.047 6.294 -7.536 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.597 7.666 -8.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.289 6.528 -9.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.172 7.654 -9.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.147 6.051 -8.821 1.00 0.00 H new ATOM 554 N GLN A 38 -3.902 9.185 -2.834 1.00 0.00 N ATOM 555 CA GLN A 38 -3.206 10.155 -1.941 1.00 0.00 C ATOM 556 C GLN A 38 -1.989 9.482 -1.299 1.00 0.00 C ATOM 557 O GLN A 38 -0.902 10.024 -1.289 1.00 0.00 O ATOM 558 CB GLN A 38 -4.166 10.626 -0.846 1.00 0.00 C ATOM 559 CG GLN A 38 -3.494 11.724 -0.021 1.00 0.00 C ATOM 560 CD GLN A 38 -4.501 12.311 0.969 1.00 0.00 C ATOM 561 OE1 GLN A 38 -5.320 11.598 1.515 1.00 0.00 O ATOM 562 NE2 GLN A 38 -4.477 13.590 1.226 1.00 0.00 N ATOM 0 H GLN A 38 -4.878 9.001 -2.603 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.878 11.013 -2.528 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.087 11.002 -1.291 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.441 9.790 -0.203 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.637 11.317 0.515 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.116 12.507 -0.678 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.790 14.189 0.768 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.145 13.990 1.885 1.00 0.00 H new ATOM 571 N ILE A 39 -2.165 8.306 -0.762 1.00 0.00 N ATOM 572 CA ILE A 39 -1.019 7.600 -0.121 1.00 0.00 C ATOM 573 C ILE A 39 0.104 7.414 -1.145 1.00 0.00 C ATOM 574 O ILE A 39 1.273 7.455 -0.816 1.00 0.00 O ATOM 575 CB ILE A 39 -1.489 6.232 0.382 1.00 0.00 C ATOM 576 CG1 ILE A 39 -2.516 6.428 1.506 1.00 0.00 C ATOM 577 CG2 ILE A 39 -0.289 5.445 0.915 1.00 0.00 C ATOM 578 CD1 ILE A 39 -3.272 5.118 1.762 1.00 0.00 C ATOM 0 H ILE A 39 -3.052 7.803 -0.739 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.647 8.189 0.717 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.949 5.680 -0.438 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.013 6.751 2.417 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.219 7.216 1.234 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.623 4.471 1.273 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.440 5.308 0.116 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.171 5.995 1.736 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.998 5.267 2.561 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.790 4.813 0.853 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.565 4.341 2.054 1.00 0.00 H new ATOM 590 N ARG A 40 -0.244 7.202 -2.386 1.00 0.00 N ATOM 591 CA ARG A 40 0.798 7.004 -3.437 1.00 0.00 C ATOM 592 C ARG A 40 1.711 8.231 -3.517 1.00 0.00 C ATOM 593 O ARG A 40 2.849 8.200 -3.092 1.00 0.00 O ATOM 594 CB ARG A 40 0.122 6.798 -4.797 1.00 0.00 C ATOM 595 CG ARG A 40 1.155 6.304 -5.814 1.00 0.00 C ATOM 596 CD ARG A 40 0.453 5.928 -7.123 1.00 0.00 C ATOM 597 NE ARG A 40 1.405 5.196 -8.005 1.00 0.00 N ATOM 598 CZ ARG A 40 0.960 4.529 -9.035 1.00 0.00 C ATOM 599 NH1 ARG A 40 -0.319 4.503 -9.292 1.00 0.00 N ATOM 600 NH2 ARG A 40 1.795 3.889 -9.808 1.00 0.00 N ATOM 0 H ARG A 40 -1.207 7.157 -2.719 1.00 0.00 H new ATOM 0 HA ARG A 40 1.393 6.128 -3.179 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.688 6.075 -4.706 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.322 7.733 -5.139 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.898 7.080 -5.998 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.688 5.441 -5.415 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.418 5.307 -6.915 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.092 6.825 -7.625 1.00 0.00 H new ATOM 0 HE ARG A 40 2.405 5.216 -7.804 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.971 5.004 -8.688 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.667 3.982 -10.097 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.795 3.910 -9.607 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.448 3.368 -10.613 1.00 0.00 H new ATOM 614 N HIS A 41 1.226 9.303 -4.081 1.00 0.00 N ATOM 615 CA HIS A 41 2.068 10.527 -4.217 1.00 0.00 C ATOM 616 C HIS A 41 2.654 10.928 -2.859 1.00 0.00 C ATOM 617 O HIS A 41 3.757 11.429 -2.774 1.00 0.00 O ATOM 618 CB HIS A 41 1.207 11.672 -4.755 1.00 0.00 C ATOM 619 CG HIS A 41 2.062 12.894 -4.953 1.00 0.00 C ATOM 620 ND1 HIS A 41 2.689 13.536 -3.896 1.00 0.00 N ATOM 621 CD2 HIS A 41 2.402 13.604 -6.078 1.00 0.00 C ATOM 622 CE1 HIS A 41 3.366 14.582 -4.403 1.00 0.00 C ATOM 623 NE2 HIS A 41 3.225 14.669 -5.727 1.00 0.00 N ATOM 0 H HIS A 41 0.280 9.385 -4.455 1.00 0.00 H new ATOM 0 HA HIS A 41 2.887 10.319 -4.905 1.00 0.00 H new ATOM 0 HB2 HIS A 41 0.746 11.381 -5.699 1.00 0.00 H new ATOM 0 HB3 HIS A 41 0.398 11.891 -4.058 1.00 0.00 H new ATOM 0 HD2 HIS A 41 2.080 13.371 -7.082 1.00 0.00 H new ATOM 0 HE1 HIS A 41 3.953 15.268 -3.810 1.00 0.00 H new ATOM 0 HE2 HIS A 41 3.633 15.367 -6.349 1.00 0.00 H new ATOM 631 N GLU A 42 1.921 10.725 -1.799 1.00 0.00 N ATOM 632 CA GLU A 42 2.435 11.112 -0.453 1.00 0.00 C ATOM 633 C GLU A 42 3.629 10.234 -0.064 1.00 0.00 C ATOM 634 O GLU A 42 4.618 10.714 0.453 1.00 0.00 O ATOM 635 CB GLU A 42 1.323 10.956 0.587 1.00 0.00 C ATOM 636 CG GLU A 42 1.801 11.506 1.932 1.00 0.00 C ATOM 637 CD GLU A 42 0.656 11.448 2.945 1.00 0.00 C ATOM 638 OE1 GLU A 42 -0.024 10.436 2.982 1.00 0.00 O ATOM 639 OE2 GLU A 42 0.480 12.415 3.666 1.00 0.00 O ATOM 0 H GLU A 42 0.990 10.309 -1.806 1.00 0.00 H new ATOM 0 HA GLU A 42 2.760 12.152 -0.488 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.429 11.488 0.262 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.050 9.906 0.688 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.650 10.925 2.293 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.145 12.534 1.815 1.00 0.00 H new ATOM 646 N SER A 43 3.539 8.951 -0.286 1.00 0.00 N ATOM 647 CA SER A 43 4.665 8.045 0.099 1.00 0.00 C ATOM 648 C SER A 43 5.706 7.972 -1.026 1.00 0.00 C ATOM 649 O SER A 43 6.863 7.684 -0.789 1.00 0.00 O ATOM 650 CB SER A 43 4.110 6.653 0.391 1.00 0.00 C ATOM 651 OG SER A 43 3.364 6.693 1.601 1.00 0.00 O ATOM 0 H SER A 43 2.738 8.489 -0.716 1.00 0.00 H new ATOM 0 HA SER A 43 5.153 8.439 0.990 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.476 6.321 -0.431 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.925 5.934 0.475 1.00 0.00 H new ATOM 0 HG SER A 43 2.435 6.935 1.405 1.00 0.00 H new ATOM 657 N GLY A 44 5.316 8.230 -2.247 1.00 0.00 N ATOM 658 CA GLY A 44 6.298 8.174 -3.374 1.00 0.00 C ATOM 659 C GLY A 44 6.445 6.728 -3.857 1.00 0.00 C ATOM 660 O GLY A 44 7.140 6.449 -4.815 1.00 0.00 O ATOM 0 H GLY A 44 4.363 8.477 -2.514 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.963 8.809 -4.194 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.264 8.559 -3.047 1.00 0.00 H new ATOM 664 N ALA A 45 5.796 5.811 -3.200 1.00 0.00 N ATOM 665 CA ALA A 45 5.886 4.379 -3.606 1.00 0.00 C ATOM 666 C ALA A 45 4.871 4.081 -4.706 1.00 0.00 C ATOM 667 O ALA A 45 3.905 4.792 -4.897 1.00 0.00 O ATOM 668 CB ALA A 45 5.580 3.489 -2.400 1.00 0.00 C ATOM 0 H ALA A 45 5.201 5.992 -2.391 1.00 0.00 H new ATOM 0 HA ALA A 45 6.892 4.180 -3.975 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.645 2.442 -2.695 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.302 3.689 -1.608 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.575 3.702 -2.037 1.00 0.00 H new ATOM 674 N SER A 46 5.072 2.987 -5.392 1.00 0.00 N ATOM 675 CA SER A 46 4.115 2.554 -6.451 1.00 0.00 C ATOM 676 C SER A 46 3.361 1.357 -5.882 1.00 0.00 C ATOM 677 O SER A 46 3.934 0.559 -5.167 1.00 0.00 O ATOM 678 CB SER A 46 4.885 2.130 -7.703 1.00 0.00 C ATOM 679 OG SER A 46 5.636 3.235 -8.189 1.00 0.00 O ATOM 0 H SER A 46 5.871 2.366 -5.261 1.00 0.00 H new ATOM 0 HA SER A 46 3.436 3.360 -6.728 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.550 1.298 -7.471 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.193 1.781 -8.469 1.00 0.00 H new ATOM 0 HG SER A 46 6.132 2.966 -8.990 1.00 0.00 H new ATOM 685 N ILE A 47 2.088 1.216 -6.154 1.00 0.00 N ATOM 686 CA ILE A 47 1.318 0.064 -5.585 1.00 0.00 C ATOM 687 C ILE A 47 0.391 -0.521 -6.647 1.00 0.00 C ATOM 688 O ILE A 47 -0.265 0.196 -7.376 1.00 0.00 O ATOM 689 CB ILE A 47 0.479 0.549 -4.391 1.00 0.00 C ATOM 690 CG1 ILE A 47 1.413 0.998 -3.260 1.00 0.00 C ATOM 691 CG2 ILE A 47 -0.416 -0.592 -3.885 1.00 0.00 C ATOM 692 CD1 ILE A 47 0.600 1.664 -2.147 1.00 0.00 C ATOM 0 H ILE A 47 1.547 1.848 -6.745 1.00 0.00 H new ATOM 0 HA ILE A 47 2.018 -0.704 -5.257 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.145 1.385 -4.708 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.956 0.140 -2.863 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.157 1.695 -3.646 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.008 -0.242 -3.039 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.082 -0.914 -4.685 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.206 -1.430 -3.571 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.269 1.980 -1.347 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.078 2.533 -2.548 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.127 0.954 -1.752 1.00 0.00 H new ATOM 704 N LYS A 48 0.330 -1.823 -6.733 1.00 0.00 N ATOM 705 CA LYS A 48 -0.548 -2.501 -7.730 1.00 0.00 C ATOM 706 C LYS A 48 -1.493 -3.431 -6.972 1.00 0.00 C ATOM 707 O LYS A 48 -1.058 -4.243 -6.181 1.00 0.00 O ATOM 708 CB LYS A 48 0.326 -3.330 -8.677 1.00 0.00 C ATOM 709 CG LYS A 48 -0.529 -3.882 -9.822 1.00 0.00 C ATOM 710 CD LYS A 48 0.264 -4.941 -10.593 1.00 0.00 C ATOM 711 CE LYS A 48 1.608 -4.361 -11.044 1.00 0.00 C ATOM 712 NZ LYS A 48 2.156 -5.193 -12.152 1.00 0.00 N ATOM 0 H LYS A 48 0.864 -2.459 -6.140 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.116 -1.770 -8.305 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.131 -2.714 -9.077 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.793 -4.150 -8.131 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.447 -4.317 -9.426 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.822 -3.074 -10.492 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.428 -5.815 -9.963 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.307 -5.276 -11.459 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.479 -3.331 -11.377 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.308 -4.341 -10.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.069 -4.802 -12.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.292 -6.169 -11.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.490 -5.190 -12.951 1.00 0.00 H new ATOM 726 N ILE A 49 -2.776 -3.327 -7.190 1.00 0.00 N ATOM 727 CA ILE A 49 -3.743 -4.207 -6.470 1.00 0.00 C ATOM 728 C ILE A 49 -4.113 -5.376 -7.383 1.00 0.00 C ATOM 729 O ILE A 49 -4.378 -5.198 -8.556 1.00 0.00 O ATOM 730 CB ILE A 49 -4.987 -3.380 -6.125 1.00 0.00 C ATOM 731 CG1 ILE A 49 -4.540 -2.104 -5.400 1.00 0.00 C ATOM 732 CG2 ILE A 49 -5.918 -4.185 -5.215 1.00 0.00 C ATOM 733 CD1 ILE A 49 -5.755 -1.241 -5.060 1.00 0.00 C ATOM 0 H ILE A 49 -3.199 -2.665 -7.841 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.307 -4.599 -5.551 1.00 0.00 H new ATOM 0 HB ILE A 49 -5.524 -3.126 -7.039 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.002 -2.364 -4.488 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.849 -1.542 -6.029 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.798 -3.588 -4.976 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.226 -5.098 -5.725 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.394 -4.443 -4.295 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.427 -0.338 -4.546 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.275 -0.967 -5.978 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.430 -1.802 -4.414 1.00 0.00 H new ATOM 745 N ASP A 50 -4.132 -6.574 -6.861 1.00 0.00 N ATOM 746 CA ASP A 50 -4.483 -7.760 -7.699 1.00 0.00 C ATOM 747 C ASP A 50 -5.974 -8.050 -7.540 1.00 0.00 C ATOM 748 O ASP A 50 -6.555 -7.784 -6.507 1.00 0.00 O ATOM 749 CB ASP A 50 -3.680 -8.970 -7.217 1.00 0.00 C ATOM 750 CG ASP A 50 -3.880 -10.134 -8.187 1.00 0.00 C ATOM 751 OD1 ASP A 50 -3.233 -10.135 -9.221 1.00 0.00 O ATOM 752 OD2 ASP A 50 -4.678 -11.006 -7.879 1.00 0.00 O ATOM 0 H ASP A 50 -3.919 -6.784 -5.886 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.252 -7.561 -8.745 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.622 -8.715 -7.151 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.001 -9.258 -6.216 1.00 0.00 H new ATOM 757 N GLU A 51 -6.599 -8.613 -8.536 1.00 0.00 N ATOM 758 CA GLU A 51 -8.044 -8.936 -8.409 1.00 0.00 C ATOM 759 C GLU A 51 -8.203 -10.053 -7.366 1.00 0.00 C ATOM 760 O GLU A 51 -7.324 -10.882 -7.226 1.00 0.00 O ATOM 761 CB GLU A 51 -8.556 -9.436 -9.763 1.00 0.00 C ATOM 762 CG GLU A 51 -8.495 -8.298 -10.784 1.00 0.00 C ATOM 763 CD GLU A 51 -7.035 -8.008 -11.142 1.00 0.00 C ATOM 764 OE1 GLU A 51 -6.454 -8.802 -11.862 1.00 0.00 O ATOM 765 OE2 GLU A 51 -6.524 -6.997 -10.688 1.00 0.00 O ATOM 0 H GLU A 51 -6.172 -8.862 -9.428 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.607 -8.055 -8.103 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.952 -10.277 -10.104 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.580 -9.797 -9.666 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.053 -8.570 -11.680 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.965 -7.403 -10.375 1.00 0.00 H new ATOM 772 N PRO A 52 -9.298 -10.109 -6.641 1.00 0.00 N ATOM 773 CA PRO A 52 -9.478 -11.191 -5.634 1.00 0.00 C ATOM 774 C PRO A 52 -9.493 -12.577 -6.296 1.00 0.00 C ATOM 775 O PRO A 52 -10.041 -12.756 -7.365 1.00 0.00 O ATOM 776 CB PRO A 52 -10.843 -10.841 -5.006 1.00 0.00 C ATOM 777 CG PRO A 52 -11.502 -9.751 -5.873 1.00 0.00 C ATOM 778 CD PRO A 52 -10.414 -9.127 -6.761 1.00 0.00 C ATOM 0 HA PRO A 52 -8.671 -11.244 -4.903 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.478 -11.725 -4.958 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.712 -10.487 -3.983 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.295 -10.180 -6.486 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.962 -8.990 -5.243 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.747 -9.015 -7.793 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.123 -8.137 -6.411 1.00 0.00 H new ATOM 853 N ASP A 58 -10.491 -12.637 0.122 1.00 0.00 N ATOM 854 CA ASP A 58 -9.376 -11.708 0.485 1.00 0.00 C ATOM 855 C ASP A 58 -8.822 -11.029 -0.771 1.00 0.00 C ATOM 856 O ASP A 58 -8.909 -11.541 -1.870 1.00 0.00 O ATOM 857 CB ASP A 58 -8.260 -12.509 1.157 1.00 0.00 C ATOM 858 CG ASP A 58 -8.801 -13.176 2.423 1.00 0.00 C ATOM 859 OD1 ASP A 58 -8.857 -12.509 3.443 1.00 0.00 O ATOM 860 OD2 ASP A 58 -9.150 -14.343 2.352 1.00 0.00 O ATOM 0 HA ASP A 58 -9.753 -10.944 1.164 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.876 -13.264 0.471 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.427 -11.852 1.407 1.00 0.00 H new ATOM 865 N ARG A 59 -8.226 -9.879 -0.587 1.00 0.00 N ATOM 866 CA ARG A 59 -7.612 -9.117 -1.721 1.00 0.00 C ATOM 867 C ARG A 59 -6.120 -8.940 -1.411 1.00 0.00 C ATOM 868 O ARG A 59 -5.740 -8.728 -0.277 1.00 0.00 O ATOM 869 CB ARG A 59 -8.304 -7.747 -1.856 1.00 0.00 C ATOM 870 CG ARG A 59 -8.392 -7.357 -3.350 1.00 0.00 C ATOM 871 CD ARG A 59 -9.134 -6.029 -3.530 1.00 0.00 C ATOM 872 NE ARG A 59 -9.093 -5.634 -4.965 1.00 0.00 N ATOM 873 CZ ARG A 59 -9.900 -4.710 -5.412 1.00 0.00 C ATOM 874 NH1 ARG A 59 -10.739 -4.129 -4.598 1.00 0.00 N ATOM 875 NH2 ARG A 59 -9.867 -4.367 -6.670 1.00 0.00 N ATOM 0 H ARG A 59 -8.136 -9.425 0.322 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.735 -9.653 -2.662 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -9.302 -7.788 -1.421 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.746 -6.990 -1.304 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.388 -7.276 -3.768 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.906 -8.142 -3.905 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.167 -6.128 -3.198 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.674 -5.256 -2.915 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.434 -6.086 -5.599 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -10.764 -4.397 -3.614 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.370 -3.407 -4.946 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.210 -4.821 -7.305 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -10.498 -3.645 -7.018 1.00 0.00 H new ATOM 889 N ILE A 60 -5.273 -9.060 -2.405 1.00 0.00 N ATOM 890 CA ILE A 60 -3.796 -8.935 -2.165 1.00 0.00 C ATOM 891 C ILE A 60 -3.235 -7.657 -2.804 1.00 0.00 C ATOM 892 O ILE A 60 -3.619 -7.270 -3.890 1.00 0.00 O ATOM 893 CB ILE A 60 -3.118 -10.169 -2.756 1.00 0.00 C ATOM 894 CG1 ILE A 60 -3.505 -11.386 -1.902 1.00 0.00 C ATOM 895 CG2 ILE A 60 -1.596 -9.991 -2.734 1.00 0.00 C ATOM 896 CD1 ILE A 60 -3.218 -12.665 -2.672 1.00 0.00 C ATOM 0 H ILE A 60 -5.539 -9.239 -3.373 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.602 -8.870 -1.094 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.438 -10.311 -3.788 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.944 -11.379 -0.967 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.562 -11.337 -1.640 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.120 -10.876 -3.157 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.324 -9.115 -3.323 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.260 -9.855 -1.706 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.494 -13.526 -2.063 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.798 -12.672 -3.595 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.156 -12.715 -2.911 1.00 0.00 H new ATOM 908 N ILE A 61 -2.323 -7.004 -2.123 1.00 0.00 N ATOM 909 CA ILE A 61 -1.710 -5.745 -2.661 1.00 0.00 C ATOM 910 C ILE A 61 -0.193 -5.908 -2.791 1.00 0.00 C ATOM 911 O ILE A 61 0.440 -6.558 -1.982 1.00 0.00 O ATOM 912 CB ILE A 61 -1.993 -4.583 -1.699 1.00 0.00 C ATOM 913 CG1 ILE A 61 -3.488 -4.262 -1.716 1.00 0.00 C ATOM 914 CG2 ILE A 61 -1.205 -3.343 -2.141 1.00 0.00 C ATOM 915 CD1 ILE A 61 -3.820 -3.288 -0.580 1.00 0.00 C ATOM 0 H ILE A 61 -1.973 -7.292 -1.209 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.142 -5.540 -3.640 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.689 -4.867 -0.692 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.765 -3.825 -2.675 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.068 -5.178 -1.604 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.408 -2.520 -1.456 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.138 -3.568 -2.132 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.508 -3.060 -3.149 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.886 -3.061 -0.595 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.559 -3.742 0.376 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.251 -2.367 -0.712 1.00 0.00 H new ATOM 927 N THR A 62 0.390 -5.313 -3.804 1.00 0.00 N ATOM 928 CA THR A 62 1.873 -5.413 -4.007 1.00 0.00 C ATOM 929 C THR A 62 2.493 -4.016 -3.903 1.00 0.00 C ATOM 930 O THR A 62 2.094 -3.097 -4.592 1.00 0.00 O ATOM 931 CB THR A 62 2.153 -6.001 -5.395 1.00 0.00 C ATOM 932 OG1 THR A 62 1.572 -7.294 -5.485 1.00 0.00 O ATOM 933 CG2 THR A 62 3.663 -6.103 -5.610 1.00 0.00 C ATOM 0 H THR A 62 -0.101 -4.758 -4.505 1.00 0.00 H new ATOM 0 HA THR A 62 2.309 -6.059 -3.245 1.00 0.00 H new ATOM 0 HB THR A 62 1.721 -5.354 -6.159 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.748 -7.671 -6.372 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.863 -6.521 -6.597 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.108 -5.111 -5.539 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.096 -6.750 -4.847 1.00 0.00 H new ATOM 941 N ILE A 63 3.465 -3.844 -3.038 1.00 0.00 N ATOM 942 CA ILE A 63 4.123 -2.511 -2.863 1.00 0.00 C ATOM 943 C ILE A 63 5.524 -2.543 -3.484 1.00 0.00 C ATOM 944 O ILE A 63 6.292 -3.445 -3.212 1.00 0.00 O ATOM 945 CB ILE A 63 4.272 -2.229 -1.367 1.00 0.00 C ATOM 946 CG1 ILE A 63 2.932 -2.486 -0.670 1.00 0.00 C ATOM 947 CG2 ILE A 63 4.695 -0.768 -1.162 1.00 0.00 C ATOM 948 CD1 ILE A 63 3.009 -2.026 0.786 1.00 0.00 C ATOM 0 H ILE A 63 3.835 -4.582 -2.438 1.00 0.00 H new ATOM 0 HA ILE A 63 3.519 -1.743 -3.345 1.00 0.00 H new ATOM 0 HB ILE A 63 5.032 -2.884 -0.942 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.134 -1.953 -1.188 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.687 -3.547 -0.713 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.801 -0.566 -0.096 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.648 -0.591 -1.662 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.937 -0.107 -1.582 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.054 -2.211 1.277 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.795 -2.579 1.301 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.234 -0.960 0.819 1.00 0.00 H new ATOM 960 N THR A 64 5.879 -1.571 -4.291 1.00 0.00 N ATOM 961 CA THR A 64 7.259 -1.561 -4.894 1.00 0.00 C ATOM 962 C THR A 64 7.897 -0.192 -4.656 1.00 0.00 C ATOM 963 O THR A 64 7.292 0.832 -4.905 1.00 0.00 O ATOM 964 CB THR A 64 7.172 -1.832 -6.400 1.00 0.00 C ATOM 965 OG1 THR A 64 6.272 -2.906 -6.635 1.00 0.00 O ATOM 966 CG2 THR A 64 8.557 -2.197 -6.936 1.00 0.00 C ATOM 0 H THR A 64 5.282 -0.789 -4.559 1.00 0.00 H new ATOM 0 HA THR A 64 7.866 -2.338 -4.429 1.00 0.00 H new ATOM 0 HB THR A 64 6.812 -0.938 -6.910 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.214 -3.079 -7.598 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.494 -2.389 -8.007 1.00 0.00 H new ATOM 0 HG22 THR A 64 9.246 -1.372 -6.756 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.920 -3.090 -6.428 1.00 0.00 H new ATOM 974 N GLY A 65 9.108 -0.157 -4.163 1.00 0.00 N ATOM 975 CA GLY A 65 9.783 1.143 -3.893 1.00 0.00 C ATOM 976 C GLY A 65 10.963 0.902 -2.942 1.00 0.00 C ATOM 977 O GLY A 65 11.279 -0.223 -2.611 1.00 0.00 O ATOM 0 H GLY A 65 9.661 -0.983 -3.935 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.134 1.586 -4.825 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.080 1.848 -3.450 1.00 0.00 H new ATOM 981 N THR A 66 11.614 1.942 -2.498 1.00 0.00 N ATOM 982 CA THR A 66 12.768 1.754 -1.567 1.00 0.00 C ATOM 983 C THR A 66 12.253 1.353 -0.179 1.00 0.00 C ATOM 984 O THR A 66 11.102 1.551 0.155 1.00 0.00 O ATOM 985 CB THR A 66 13.573 3.052 -1.470 1.00 0.00 C ATOM 986 OG1 THR A 66 12.683 4.151 -1.334 1.00 0.00 O ATOM 987 CG2 THR A 66 14.416 3.227 -2.734 1.00 0.00 C ATOM 0 H THR A 66 11.400 2.910 -2.737 1.00 0.00 H new ATOM 0 HA THR A 66 13.413 0.964 -1.950 1.00 0.00 H new ATOM 0 HB THR A 66 14.230 3.008 -0.602 1.00 0.00 H new ATOM 0 HG1 THR A 66 12.779 4.747 -2.106 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.989 4.152 -2.664 1.00 0.00 H new ATOM 0 HG22 THR A 66 15.099 2.384 -2.835 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.762 3.271 -3.605 1.00 0.00 H new ATOM 995 N GLN A 67 13.113 0.773 0.622 1.00 0.00 N ATOM 996 CA GLN A 67 12.710 0.329 1.991 1.00 0.00 C ATOM 997 C GLN A 67 11.939 1.440 2.706 1.00 0.00 C ATOM 998 O GLN A 67 10.908 1.205 3.306 1.00 0.00 O ATOM 999 CB GLN A 67 13.974 -0.015 2.800 1.00 0.00 C ATOM 1000 CG GLN A 67 13.624 -0.989 3.932 1.00 0.00 C ATOM 1001 CD GLN A 67 12.587 -0.351 4.857 1.00 0.00 C ATOM 1002 OE1 GLN A 67 11.361 -0.802 4.852 1.00 0.00 O flip ATOM 1003 NE2 GLN A 67 12.893 0.565 5.594 1.00 0.00 N flip ATOM 0 H GLN A 67 14.087 0.587 0.382 1.00 0.00 H new ATOM 0 HA GLN A 67 12.067 -0.547 1.907 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.724 -0.459 2.146 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.410 0.895 3.214 1.00 0.00 H new ATOM 0 HG2 GLN A 67 13.233 -1.918 3.518 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.521 -1.244 4.496 1.00 0.00 H new ATOM 0 HE21 GLN A 67 13.850 0.918 5.599 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.193 0.981 6.208 1.00 0.00 H new ATOM 1012 N ASP A 68 12.435 2.643 2.662 1.00 0.00 N ATOM 1013 CA ASP A 68 11.736 3.757 3.356 1.00 0.00 C ATOM 1014 C ASP A 68 10.411 4.056 2.657 1.00 0.00 C ATOM 1015 O ASP A 68 9.388 4.202 3.296 1.00 0.00 O ATOM 1016 CB ASP A 68 12.619 5.007 3.342 1.00 0.00 C ATOM 1017 CG ASP A 68 13.949 4.700 4.033 1.00 0.00 C ATOM 1018 OD1 ASP A 68 14.303 3.535 4.104 1.00 0.00 O ATOM 1019 OD2 ASP A 68 14.590 5.636 4.481 1.00 0.00 O ATOM 0 H ASP A 68 13.293 2.903 2.176 1.00 0.00 H new ATOM 0 HA ASP A 68 11.537 3.466 4.388 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.796 5.329 2.316 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.114 5.828 3.851 1.00 0.00 H new ATOM 1024 N GLN A 69 10.409 4.159 1.357 1.00 0.00 N ATOM 1025 CA GLN A 69 9.133 4.460 0.654 1.00 0.00 C ATOM 1026 C GLN A 69 8.104 3.376 0.987 1.00 0.00 C ATOM 1027 O GLN A 69 6.930 3.643 1.151 1.00 0.00 O ATOM 1028 CB GLN A 69 9.372 4.494 -0.858 1.00 0.00 C ATOM 1029 CG GLN A 69 10.219 5.716 -1.215 1.00 0.00 C ATOM 1030 CD GLN A 69 10.661 5.621 -2.676 1.00 0.00 C ATOM 1031 OE1 GLN A 69 11.836 5.705 -2.975 1.00 0.00 O ATOM 1032 NE2 GLN A 69 9.762 5.450 -3.607 1.00 0.00 N ATOM 0 H GLN A 69 11.227 4.049 0.757 1.00 0.00 H new ATOM 0 HA GLN A 69 8.759 5.431 0.979 1.00 0.00 H new ATOM 0 HB2 GLN A 69 9.877 3.583 -1.177 1.00 0.00 H new ATOM 0 HB3 GLN A 69 8.419 4.532 -1.386 1.00 0.00 H new ATOM 0 HG2 GLN A 69 9.645 6.629 -1.056 1.00 0.00 H new ATOM 0 HG3 GLN A 69 11.091 5.771 -0.563 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.776 5.379 -3.357 1.00 0.00 H new ATOM 0 HE22 GLN A 69 10.046 5.387 -4.585 1.00 0.00 H new ATOM 1041 N ILE A 70 8.548 2.149 1.094 1.00 0.00 N ATOM 1042 CA ILE A 70 7.622 1.028 1.421 1.00 0.00 C ATOM 1043 C ILE A 70 7.160 1.131 2.878 1.00 0.00 C ATOM 1044 O ILE A 70 5.990 0.991 3.170 1.00 0.00 O ATOM 1045 CB ILE A 70 8.350 -0.310 1.213 1.00 0.00 C ATOM 1046 CG1 ILE A 70 8.558 -0.549 -0.286 1.00 0.00 C ATOM 1047 CG2 ILE A 70 7.517 -1.459 1.801 1.00 0.00 C ATOM 1048 CD1 ILE A 70 9.487 -1.749 -0.493 1.00 0.00 C ATOM 0 H ILE A 70 9.523 1.876 0.967 1.00 0.00 H new ATOM 0 HA ILE A 70 6.752 1.084 0.767 1.00 0.00 H new ATOM 0 HB ILE A 70 9.315 -0.273 1.718 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.599 -0.731 -0.772 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.987 0.339 -0.750 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.041 -2.403 1.649 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.371 -1.293 2.868 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.548 -1.497 1.304 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.633 -1.916 -1.560 1.00 0.00 H new ATOM 0 HD12 ILE A 70 10.450 -1.549 -0.022 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.041 -2.636 -0.044 1.00 0.00 H new ATOM 1060 N GLN A 71 8.055 1.375 3.799 1.00 0.00 N ATOM 1061 CA GLN A 71 7.652 1.488 5.228 1.00 0.00 C ATOM 1062 C GLN A 71 6.651 2.632 5.383 1.00 0.00 C ATOM 1063 O GLN A 71 5.659 2.511 6.075 1.00 0.00 O ATOM 1064 CB GLN A 71 8.893 1.777 6.076 1.00 0.00 C ATOM 1065 CG GLN A 71 8.518 1.753 7.559 1.00 0.00 C ATOM 1066 CD GLN A 71 9.773 1.968 8.406 1.00 0.00 C ATOM 1067 OE1 GLN A 71 10.917 1.505 7.983 1.00 0.00 O flip ATOM 1068 NE2 GLN A 71 9.712 2.562 9.464 1.00 0.00 N flip ATOM 0 H GLN A 71 9.051 1.501 3.620 1.00 0.00 H new ATOM 0 HA GLN A 71 7.191 0.557 5.557 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.665 1.035 5.874 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.308 2.749 5.811 1.00 0.00 H new ATOM 0 HG2 GLN A 71 7.785 2.531 7.772 1.00 0.00 H new ATOM 0 HG3 GLN A 71 8.054 0.800 7.812 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.818 2.924 9.795 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.555 2.699 10.021 1.00 0.00 H new ATOM 1077 N ASN A 72 6.901 3.742 4.744 1.00 0.00 N ATOM 1078 CA ASN A 72 5.959 4.890 4.853 1.00 0.00 C ATOM 1079 C ASN A 72 4.604 4.469 4.287 1.00 0.00 C ATOM 1080 O ASN A 72 3.564 4.874 4.765 1.00 0.00 O ATOM 1081 CB ASN A 72 6.506 6.076 4.056 1.00 0.00 C ATOM 1082 CG ASN A 72 7.787 6.588 4.716 1.00 0.00 C ATOM 1083 OD1 ASN A 72 8.477 5.846 5.387 1.00 0.00 O ATOM 1084 ND2 ASN A 72 8.139 7.834 4.552 1.00 0.00 N ATOM 0 H ASN A 72 7.716 3.903 4.152 1.00 0.00 H new ATOM 0 HA ASN A 72 5.847 5.184 5.897 1.00 0.00 H new ATOM 0 HB2 ASN A 72 6.709 5.774 3.029 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.763 6.872 4.013 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.993 8.184 4.987 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.561 8.458 3.989 1.00 0.00 H new ATOM 1091 N ALA A 73 4.615 3.657 3.268 1.00 0.00 N ATOM 1092 CA ALA A 73 3.337 3.202 2.657 1.00 0.00 C ATOM 1093 C ALA A 73 2.680 2.158 3.562 1.00 0.00 C ATOM 1094 O ALA A 73 1.496 2.210 3.830 1.00 0.00 O ATOM 1095 CB ALA A 73 3.627 2.582 1.290 1.00 0.00 C ATOM 0 H ALA A 73 5.459 3.287 2.830 1.00 0.00 H new ATOM 0 HA ALA A 73 2.664 4.052 2.540 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.694 2.247 0.837 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.096 3.325 0.646 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.298 1.731 1.411 1.00 0.00 H new ATOM 1101 N GLN A 74 3.441 1.204 4.029 1.00 0.00 N ATOM 1102 CA GLN A 74 2.874 0.145 4.910 1.00 0.00 C ATOM 1103 C GLN A 74 2.241 0.773 6.154 1.00 0.00 C ATOM 1104 O GLN A 74 1.142 0.428 6.540 1.00 0.00 O ATOM 1105 CB GLN A 74 3.993 -0.805 5.342 1.00 0.00 C ATOM 1106 CG GLN A 74 4.436 -1.651 4.147 1.00 0.00 C ATOM 1107 CD GLN A 74 5.665 -2.478 4.536 1.00 0.00 C ATOM 1108 OE1 GLN A 74 6.452 -2.064 5.363 1.00 0.00 O ATOM 1109 NE2 GLN A 74 5.863 -3.636 3.969 1.00 0.00 N ATOM 0 H GLN A 74 4.438 1.114 3.836 1.00 0.00 H new ATOM 0 HA GLN A 74 2.110 -0.403 4.359 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.837 -0.236 5.731 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.645 -1.450 6.149 1.00 0.00 H new ATOM 0 HG2 GLN A 74 3.626 -2.309 3.833 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.671 -1.008 3.299 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.202 -3.983 3.274 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.679 -4.194 4.220 1.00 0.00 H new ATOM 1118 N TYR A 75 2.926 1.679 6.796 1.00 0.00 N ATOM 1119 CA TYR A 75 2.354 2.302 8.023 1.00 0.00 C ATOM 1120 C TYR A 75 1.056 3.040 7.680 1.00 0.00 C ATOM 1121 O TYR A 75 0.128 3.062 8.464 1.00 0.00 O ATOM 1122 CB TYR A 75 3.362 3.278 8.633 1.00 0.00 C ATOM 1123 CG TYR A 75 2.815 3.823 9.931 1.00 0.00 C ATOM 1124 CD1 TYR A 75 3.058 3.145 11.132 1.00 0.00 C ATOM 1125 CD2 TYR A 75 2.064 5.003 9.933 1.00 0.00 C ATOM 1126 CE1 TYR A 75 2.550 3.650 12.335 1.00 0.00 C ATOM 1127 CE2 TYR A 75 1.556 5.508 11.137 1.00 0.00 C ATOM 1128 CZ TYR A 75 1.799 4.831 12.338 1.00 0.00 C ATOM 1129 OH TYR A 75 1.299 5.329 13.524 1.00 0.00 O ATOM 0 H TYR A 75 3.851 2.013 6.526 1.00 0.00 H new ATOM 0 HA TYR A 75 2.136 1.518 8.748 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.312 2.773 8.810 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.560 4.094 7.938 1.00 0.00 H new ATOM 0 HD1 TYR A 75 3.637 2.233 11.130 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.876 5.525 9.006 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.738 3.128 13.261 1.00 0.00 H new ATOM 0 HE2 TYR A 75 0.977 6.420 11.139 1.00 0.00 H new ATOM 0 HH TYR A 75 0.802 6.155 13.348 1.00 0.00 H new ATOM 1139 N LEU A 76 0.969 3.640 6.523 1.00 0.00 N ATOM 1140 CA LEU A 76 -0.289 4.358 6.170 1.00 0.00 C ATOM 1141 C LEU A 76 -1.378 3.330 5.853 1.00 0.00 C ATOM 1142 O LEU A 76 -2.552 3.584 6.032 1.00 0.00 O ATOM 1143 CB LEU A 76 -0.061 5.276 4.963 1.00 0.00 C ATOM 1144 CG LEU A 76 0.942 6.388 5.321 1.00 0.00 C ATOM 1145 CD1 LEU A 76 1.543 6.969 4.039 1.00 0.00 C ATOM 1146 CD2 LEU A 76 0.238 7.512 6.094 1.00 0.00 C ATOM 0 H LEU A 76 1.704 3.664 5.816 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.602 4.975 7.013 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.315 4.695 4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.007 5.717 4.649 1.00 0.00 H new ATOM 0 HG LEU A 76 1.729 5.961 5.943 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.253 7.756 4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.057 6.181 3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.748 7.384 3.420 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.959 8.291 6.340 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.556 7.934 5.479 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.189 7.110 7.012 1.00 0.00 H new ATOM 1158 N LEU A 77 -1.001 2.161 5.408 1.00 0.00 N ATOM 1159 CA LEU A 77 -2.024 1.119 5.112 1.00 0.00 C ATOM 1160 C LEU A 77 -2.577 0.597 6.440 1.00 0.00 C ATOM 1161 O LEU A 77 -3.771 0.465 6.621 1.00 0.00 O ATOM 1162 CB LEU A 77 -1.383 -0.037 4.322 1.00 0.00 C ATOM 1163 CG LEU A 77 -1.291 0.325 2.826 1.00 0.00 C ATOM 1164 CD1 LEU A 77 -0.240 -0.558 2.148 1.00 0.00 C ATOM 1165 CD2 LEU A 77 -2.643 0.104 2.126 1.00 0.00 C ATOM 0 H LEU A 77 -0.034 1.884 5.238 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.828 1.545 4.512 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.388 -0.247 4.714 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.974 -0.944 4.448 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.014 1.376 2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.176 -0.301 1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.729 -0.397 2.620 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.524 -1.605 2.250 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.554 0.366 1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.933 -0.943 2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.402 0.732 2.593 1.00 0.00 H new ATOM 1177 N GLN A 78 -1.709 0.309 7.374 1.00 0.00 N ATOM 1178 CA GLN A 78 -2.168 -0.196 8.698 1.00 0.00 C ATOM 1179 C GLN A 78 -3.050 0.861 9.369 1.00 0.00 C ATOM 1180 O GLN A 78 -4.025 0.548 10.023 1.00 0.00 O ATOM 1181 CB GLN A 78 -0.947 -0.475 9.581 1.00 0.00 C ATOM 1182 CG GLN A 78 -1.398 -1.153 10.876 1.00 0.00 C ATOM 1183 CD GLN A 78 -0.171 -1.534 11.707 1.00 0.00 C ATOM 1184 OE1 GLN A 78 0.909 -1.950 11.103 1.00 0.00 O flip ATOM 1185 NE2 GLN A 78 -0.194 -1.452 12.919 1.00 0.00 N flip ATOM 0 H GLN A 78 -0.698 0.403 7.275 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.741 -1.113 8.562 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.240 -1.113 9.051 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -0.428 0.456 9.807 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.042 -0.482 11.445 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.986 -2.042 10.648 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.037 -1.127 13.392 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.630 -1.708 13.463 1.00 0.00 H new ATOM 1194 N ASN A 79 -2.710 2.116 9.215 1.00 0.00 N ATOM 1195 CA ASN A 79 -3.530 3.189 9.848 1.00 0.00 C ATOM 1196 C ASN A 79 -4.785 3.439 9.007 1.00 0.00 C ATOM 1197 O ASN A 79 -5.782 3.916 9.512 1.00 0.00 O ATOM 1198 CB ASN A 79 -2.711 4.473 9.991 1.00 0.00 C ATOM 1199 CG ASN A 79 -1.702 4.310 11.130 1.00 0.00 C ATOM 1200 OD1 ASN A 79 -0.841 3.330 11.088 1.00 0.00 O flip ATOM 1201 ND2 ASN A 79 -1.696 5.083 12.067 1.00 0.00 N flip ATOM 0 H ASN A 79 -1.904 2.441 8.681 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.831 2.868 10.845 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.191 4.691 9.058 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.370 5.317 10.193 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.369 5.849 12.100 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.018 4.966 12.820 1.00 0.00 H new ATOM 1208 N SER A 80 -4.767 3.129 7.740 1.00 0.00 N ATOM 1209 CA SER A 80 -5.996 3.375 6.934 1.00 0.00 C ATOM 1210 C SER A 80 -7.095 2.473 7.496 1.00 0.00 C ATOM 1211 O SER A 80 -8.243 2.854 7.607 1.00 0.00 O ATOM 1212 CB SER A 80 -5.736 3.042 5.465 1.00 0.00 C ATOM 1213 OG SER A 80 -5.425 1.660 5.346 1.00 0.00 O ATOM 0 H SER A 80 -3.976 2.726 7.238 1.00 0.00 H new ATOM 0 HA SER A 80 -6.293 4.422 6.991 1.00 0.00 H new ATOM 0 HB2 SER A 80 -6.613 3.282 4.865 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.913 3.646 5.083 1.00 0.00 H new ATOM 0 HG SER A 80 -4.661 1.446 5.922 1.00 0.00 H new ATOM 1219 N VAL A 81 -6.730 1.267 7.839 1.00 0.00 N ATOM 1220 CA VAL A 81 -7.712 0.286 8.393 1.00 0.00 C ATOM 1221 C VAL A 81 -8.644 0.984 9.382 1.00 0.00 C ATOM 1222 O VAL A 81 -9.848 0.821 9.331 1.00 0.00 O ATOM 1223 CB VAL A 81 -6.964 -0.835 9.121 1.00 0.00 C ATOM 1224 CG1 VAL A 81 -7.937 -1.975 9.429 1.00 0.00 C ATOM 1225 CG2 VAL A 81 -5.827 -1.357 8.239 1.00 0.00 C ATOM 0 H VAL A 81 -5.777 0.913 7.758 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.296 -0.130 7.572 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.547 -0.448 10.051 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.408 -2.775 9.947 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.744 -1.604 10.061 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.354 -2.359 8.498 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.298 -2.154 8.761 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.238 -1.744 7.307 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.134 -0.545 8.020 1.00 0.00 H new