USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=18 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 165:sc= 0.22 USER MOD Set 1.2: A 79 ASN :FLIP amide:sc= -0.465 F(o=-1.6!,f=-0.24) USER MOD Set 2.1: A 66 THR OG1 : rot -119:sc= -0.373 USER MOD Set 2.2: A 69 GLN : amide:sc= -0.122 K(o=-0.5,f=-4.3) USER MOD Set 3.1: A 48 LYS NZ :NH3+ 158:sc= -1.04 (180deg=-1.7) USER MOD Set 3.2: A 62 THR OG1 : rot 180:sc= 0 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= -0.0412 K(o=-0.041,f=-1) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.19) USER MOD Single : A 27 SER OG : rot 180:sc= 0.00463 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 43 SER OG : rot 124:sc= 0.0953 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN :FLIP amide:sc= -2.7! C(o=-5.3!,f=-2.7!) USER MOD Single : A 71 GLN :FLIP amide:sc= -3.09! C(o=-3.9!,f=-3.1!) USER MOD Single : A 72 ASN : amide:sc= -1.28 K(o=-1.3,f=-3.3!) USER MOD Single : A 74 GLN : amide:sc= -0.265 K(o=-0.26,f=-2.4!) USER MOD Single : A 78 GLN :FLIP amide:sc=-0.00836 F(o=-1.4!,f=-0.0084) USER MOD Single : A 80 SER OG : rot -58:sc= 0.765 USER MOD ----------------------------------------------------------------- ATOM 147 N ILE A 13 15.846 -2.219 -5.540 1.00 0.00 N ATOM 148 CA ILE A 13 14.363 -2.114 -5.457 1.00 0.00 C ATOM 149 C ILE A 13 13.817 -3.355 -4.749 1.00 0.00 C ATOM 150 O ILE A 13 14.309 -4.449 -4.944 1.00 0.00 O ATOM 151 CB ILE A 13 13.782 -2.030 -6.874 1.00 0.00 C ATOM 152 CG1 ILE A 13 14.508 -0.934 -7.670 1.00 0.00 C ATOM 153 CG2 ILE A 13 12.286 -1.708 -6.813 1.00 0.00 C ATOM 154 CD1 ILE A 13 14.495 0.387 -6.891 1.00 0.00 C ATOM 0 HA ILE A 13 14.082 -1.221 -4.899 1.00 0.00 H new ATOM 0 HB ILE A 13 13.921 -2.992 -7.368 1.00 0.00 H new ATOM 0 HG12 ILE A 13 15.536 -1.238 -7.866 1.00 0.00 H new ATOM 0 HG13 ILE A 13 14.026 -0.798 -8.638 1.00 0.00 H new ATOM 0 HG21 ILE A 13 11.885 -1.651 -7.825 1.00 0.00 H new ATOM 0 HG22 ILE A 13 11.767 -2.492 -6.261 1.00 0.00 H new ATOM 0 HG23 ILE A 13 12.140 -0.752 -6.310 1.00 0.00 H new ATOM 0 HD11 ILE A 13 15.013 1.154 -7.467 1.00 0.00 H new ATOM 0 HD12 ILE A 13 13.465 0.697 -6.718 1.00 0.00 H new ATOM 0 HD13 ILE A 13 14.999 0.250 -5.934 1.00 0.00 H new ATOM 166 N ILE A 14 12.823 -3.195 -3.911 1.00 0.00 N ATOM 167 CA ILE A 14 12.253 -4.357 -3.158 1.00 0.00 C ATOM 168 C ILE A 14 10.754 -4.463 -3.436 1.00 0.00 C ATOM 169 O ILE A 14 10.083 -3.468 -3.626 1.00 0.00 O ATOM 170 CB ILE A 14 12.468 -4.112 -1.661 1.00 0.00 C ATOM 171 CG1 ILE A 14 13.966 -3.972 -1.385 1.00 0.00 C ATOM 172 CG2 ILE A 14 11.913 -5.285 -0.852 1.00 0.00 C ATOM 173 CD1 ILE A 14 14.177 -3.492 0.051 1.00 0.00 C ATOM 0 H ILE A 14 12.377 -2.299 -3.714 1.00 0.00 H new ATOM 0 HA ILE A 14 12.743 -5.280 -3.469 1.00 0.00 H new ATOM 0 HB ILE A 14 11.948 -3.200 -1.369 1.00 0.00 H new ATOM 0 HG12 ILE A 14 14.466 -4.929 -1.537 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.411 -3.265 -2.085 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.071 -5.101 0.211 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.846 -5.389 -1.048 1.00 0.00 H new ATOM 0 HG23 ILE A 14 12.426 -6.202 -1.142 1.00 0.00 H new ATOM 0 HD11 ILE A 14 15.244 -3.392 0.248 1.00 0.00 H new ATOM 0 HD12 ILE A 14 13.691 -2.526 0.187 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.746 -4.215 0.743 1.00 0.00 H new ATOM 185 N THR A 15 10.218 -5.658 -3.435 1.00 0.00 N ATOM 186 CA THR A 15 8.755 -5.850 -3.669 1.00 0.00 C ATOM 187 C THR A 15 8.200 -6.686 -2.518 1.00 0.00 C ATOM 188 O THR A 15 8.797 -7.656 -2.095 1.00 0.00 O ATOM 189 CB THR A 15 8.536 -6.591 -4.991 1.00 0.00 C ATOM 190 OG1 THR A 15 9.407 -6.062 -5.980 1.00 0.00 O ATOM 191 CG2 THR A 15 7.084 -6.421 -5.442 1.00 0.00 C ATOM 0 H THR A 15 10.740 -6.520 -3.280 1.00 0.00 H new ATOM 0 HA THR A 15 8.250 -4.885 -3.719 1.00 0.00 H new ATOM 0 HB THR A 15 8.747 -7.651 -4.851 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.268 -6.537 -6.826 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.931 -6.949 -6.383 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.417 -6.831 -4.683 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.868 -5.362 -5.581 1.00 0.00 H new ATOM 199 N THR A 16 7.061 -6.315 -2.009 1.00 0.00 N ATOM 200 CA THR A 16 6.444 -7.072 -0.879 1.00 0.00 C ATOM 201 C THR A 16 4.937 -7.166 -1.117 1.00 0.00 C ATOM 202 O THR A 16 4.344 -6.246 -1.645 1.00 0.00 O ATOM 203 CB THR A 16 6.713 -6.331 0.436 1.00 0.00 C ATOM 204 OG1 THR A 16 6.035 -6.989 1.497 1.00 0.00 O ATOM 205 CG2 THR A 16 6.217 -4.886 0.333 1.00 0.00 C ATOM 0 H THR A 16 6.522 -5.510 -2.329 1.00 0.00 H new ATOM 0 HA THR A 16 6.872 -8.073 -0.820 1.00 0.00 H new ATOM 0 HB THR A 16 7.785 -6.328 0.632 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.208 -6.517 2.338 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.412 -4.367 1.271 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.740 -4.379 -0.478 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.146 -4.882 0.132 1.00 0.00 H new ATOM 213 N GLN A 17 4.308 -8.259 -0.743 1.00 0.00 N ATOM 214 CA GLN A 17 2.826 -8.386 -0.967 1.00 0.00 C ATOM 215 C GLN A 17 2.094 -8.367 0.376 1.00 0.00 C ATOM 216 O GLN A 17 2.586 -8.860 1.372 1.00 0.00 O ATOM 217 CB GLN A 17 2.520 -9.695 -1.701 1.00 0.00 C ATOM 218 CG GLN A 17 3.062 -9.621 -3.129 1.00 0.00 C ATOM 219 CD GLN A 17 3.025 -11.014 -3.760 1.00 0.00 C ATOM 220 OE1 GLN A 17 3.315 -11.997 -3.107 1.00 0.00 O ATOM 221 NE2 GLN A 17 2.679 -11.143 -5.012 1.00 0.00 N ATOM 0 H GLN A 17 4.751 -9.062 -0.296 1.00 0.00 H new ATOM 0 HA GLN A 17 2.486 -7.547 -1.574 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.972 -10.534 -1.173 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.444 -9.871 -1.718 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.466 -8.926 -3.720 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.083 -9.240 -3.123 1.00 0.00 H new ATOM 0 HE21 GLN A 17 2.435 -10.319 -5.561 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.652 -12.068 -5.441 1.00 0.00 H new ATOM 230 N VAL A 18 0.919 -7.786 0.403 1.00 0.00 N ATOM 231 CA VAL A 18 0.122 -7.699 1.666 1.00 0.00 C ATOM 232 C VAL A 18 -1.261 -8.304 1.416 1.00 0.00 C ATOM 233 O VAL A 18 -1.763 -8.283 0.312 1.00 0.00 O ATOM 234 CB VAL A 18 -0.044 -6.219 2.038 1.00 0.00 C ATOM 235 CG1 VAL A 18 -0.491 -6.089 3.496 1.00 0.00 C ATOM 236 CG2 VAL A 18 1.292 -5.498 1.850 1.00 0.00 C ATOM 0 H VAL A 18 0.472 -7.362 -0.410 1.00 0.00 H new ATOM 0 HA VAL A 18 0.626 -8.236 2.470 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.801 -5.771 1.393 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.606 -5.035 3.749 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.444 -6.600 3.631 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.258 -6.539 4.148 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.178 -4.446 2.113 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.045 -5.954 2.493 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.606 -5.580 0.809 1.00 0.00 H new ATOM 246 N THR A 19 -1.878 -8.833 2.440 1.00 0.00 N ATOM 247 CA THR A 19 -3.240 -9.440 2.297 1.00 0.00 C ATOM 248 C THR A 19 -4.173 -8.757 3.301 1.00 0.00 C ATOM 249 O THR A 19 -3.854 -8.633 4.468 1.00 0.00 O ATOM 250 CB THR A 19 -3.159 -10.943 2.590 1.00 0.00 C ATOM 251 OG1 THR A 19 -2.001 -11.481 1.965 1.00 0.00 O ATOM 252 CG2 THR A 19 -4.403 -11.644 2.046 1.00 0.00 C ATOM 0 H THR A 19 -1.493 -8.872 3.384 1.00 0.00 H new ATOM 0 HA THR A 19 -3.619 -9.301 1.284 1.00 0.00 H new ATOM 0 HB THR A 19 -3.102 -11.099 3.667 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.945 -12.441 2.152 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.340 -12.712 2.257 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.291 -11.231 2.524 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.466 -11.490 0.969 1.00 0.00 H new ATOM 260 N ILE A 20 -5.318 -8.299 2.850 1.00 0.00 N ATOM 261 CA ILE A 20 -6.289 -7.597 3.761 1.00 0.00 C ATOM 262 C ILE A 20 -7.672 -8.279 3.639 1.00 0.00 C ATOM 263 O ILE A 20 -8.080 -8.614 2.545 1.00 0.00 O ATOM 264 CB ILE A 20 -6.416 -6.105 3.313 1.00 0.00 C ATOM 265 CG1 ILE A 20 -5.821 -5.924 1.910 1.00 0.00 C ATOM 266 CG2 ILE A 20 -5.669 -5.182 4.288 1.00 0.00 C ATOM 267 CD1 ILE A 20 -6.006 -4.478 1.458 1.00 0.00 C ATOM 0 H ILE A 20 -5.627 -8.381 1.881 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.938 -7.647 4.792 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.474 -5.844 3.305 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.762 -6.181 1.917 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.308 -6.600 1.207 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.769 -4.148 3.959 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.093 -5.288 5.287 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.614 -5.455 4.311 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.583 -4.351 0.462 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -7.069 -4.237 1.434 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.499 -3.811 2.155 1.00 0.00 H new ATOM 279 N PRO A 21 -8.418 -8.459 4.711 1.00 0.00 N ATOM 280 CA PRO A 21 -9.769 -9.074 4.580 1.00 0.00 C ATOM 281 C PRO A 21 -10.663 -8.253 3.629 1.00 0.00 C ATOM 282 O PRO A 21 -10.542 -7.046 3.543 1.00 0.00 O ATOM 283 CB PRO A 21 -10.299 -9.060 6.028 1.00 0.00 C ATOM 284 CG PRO A 21 -9.228 -8.426 6.939 1.00 0.00 C ATOM 285 CD PRO A 21 -7.989 -8.085 6.087 1.00 0.00 C ATOM 0 HA PRO A 21 -9.751 -10.075 4.150 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.228 -8.493 6.085 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.524 -10.074 6.358 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.620 -7.526 7.412 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.958 -9.115 7.739 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.730 -7.029 6.156 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.113 -8.650 6.404 1.00 0.00 H new ATOM 293 N LYS A 22 -11.531 -8.894 2.899 1.00 0.00 N ATOM 294 CA LYS A 22 -12.396 -8.147 1.936 1.00 0.00 C ATOM 295 C LYS A 22 -13.137 -6.990 2.626 1.00 0.00 C ATOM 296 O LYS A 22 -13.281 -5.923 2.063 1.00 0.00 O ATOM 297 CB LYS A 22 -13.410 -9.108 1.295 1.00 0.00 C ATOM 298 CG LYS A 22 -14.421 -9.606 2.334 1.00 0.00 C ATOM 299 CD LYS A 22 -15.332 -10.656 1.692 1.00 0.00 C ATOM 300 CE LYS A 22 -16.107 -11.396 2.785 1.00 0.00 C ATOM 301 NZ LYS A 22 -16.938 -10.424 3.550 1.00 0.00 N ATOM 0 H LYS A 22 -11.681 -9.903 2.925 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.754 -7.722 1.165 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -13.934 -8.602 0.484 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.886 -9.957 0.855 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.899 -10.035 3.189 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -15.015 -8.773 2.708 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -16.025 -10.177 1.000 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.738 -11.362 1.111 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -16.742 -12.162 2.340 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.415 -11.905 3.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -17.634 -10.940 4.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -16.326 -9.858 4.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -17.434 -9.795 2.887 1.00 0.00 H new ATOM 315 N ASP A 23 -13.638 -7.190 3.815 1.00 0.00 N ATOM 316 CA ASP A 23 -14.398 -6.097 4.494 1.00 0.00 C ATOM 317 C ASP A 23 -13.506 -4.876 4.757 1.00 0.00 C ATOM 318 O ASP A 23 -13.881 -3.744 4.490 1.00 0.00 O ATOM 319 CB ASP A 23 -14.979 -6.612 5.812 1.00 0.00 C ATOM 320 CG ASP A 23 -13.910 -7.405 6.565 1.00 0.00 C ATOM 321 OD1 ASP A 23 -13.600 -8.503 6.131 1.00 0.00 O ATOM 322 OD2 ASP A 23 -13.420 -6.903 7.562 1.00 0.00 O ATOM 0 H ASP A 23 -13.556 -8.058 4.345 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.208 -5.786 3.834 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -15.324 -5.776 6.421 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -15.846 -7.243 5.618 1.00 0.00 H new ATOM 327 N LEU A 24 -12.316 -5.082 5.240 1.00 0.00 N ATOM 328 CA LEU A 24 -11.402 -3.938 5.486 1.00 0.00 C ATOM 329 C LEU A 24 -10.822 -3.499 4.149 1.00 0.00 C ATOM 330 O LEU A 24 -10.380 -2.380 3.983 1.00 0.00 O ATOM 331 CB LEU A 24 -10.249 -4.367 6.407 1.00 0.00 C ATOM 332 CG LEU A 24 -10.785 -4.940 7.731 1.00 0.00 C ATOM 333 CD1 LEU A 24 -9.612 -5.163 8.700 1.00 0.00 C ATOM 334 CD2 LEU A 24 -11.794 -3.967 8.364 1.00 0.00 C ATOM 0 H LEU A 24 -11.936 -5.999 5.476 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.952 -3.126 5.961 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.636 -5.115 5.904 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.604 -3.512 6.611 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.286 -5.887 7.531 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.988 -5.569 9.639 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.904 -5.865 8.259 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.111 -4.214 8.890 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.165 -4.385 9.300 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.305 -3.013 8.561 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.628 -3.812 7.680 1.00 0.00 H new ATOM 346 N ALA A 25 -10.812 -4.389 3.194 1.00 0.00 N ATOM 347 CA ALA A 25 -10.254 -4.051 1.863 1.00 0.00 C ATOM 348 C ALA A 25 -11.060 -2.916 1.244 1.00 0.00 C ATOM 349 O ALA A 25 -10.530 -2.032 0.604 1.00 0.00 O ATOM 350 CB ALA A 25 -10.355 -5.273 0.953 1.00 0.00 C ATOM 0 H ALA A 25 -11.170 -5.340 3.284 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.213 -3.747 1.975 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.946 -5.031 -0.028 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.791 -6.098 1.388 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.400 -5.564 0.849 1.00 0.00 H new ATOM 356 N ARG A 26 -12.354 -2.948 1.429 1.00 0.00 N ATOM 357 CA ARG A 26 -13.211 -1.884 0.845 1.00 0.00 C ATOM 358 C ARG A 26 -13.041 -0.610 1.661 1.00 0.00 C ATOM 359 O ARG A 26 -13.140 0.484 1.140 1.00 0.00 O ATOM 360 CB ARG A 26 -14.677 -2.324 0.846 1.00 0.00 C ATOM 361 CG ARG A 26 -14.834 -3.581 -0.023 1.00 0.00 C ATOM 362 CD ARG A 26 -16.309 -4.057 -0.041 1.00 0.00 C ATOM 363 NE ARG A 26 -16.761 -4.306 -1.453 1.00 0.00 N ATOM 364 CZ ARG A 26 -16.675 -3.383 -2.377 1.00 0.00 C ATOM 365 NH1 ARG A 26 -16.272 -2.181 -2.071 1.00 0.00 N ATOM 366 NH2 ARG A 26 -17.021 -3.660 -3.604 1.00 0.00 N ATOM 0 H ARG A 26 -12.850 -3.665 1.959 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.912 -1.699 -0.187 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -15.006 -2.530 1.865 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -15.309 -1.523 0.463 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -14.503 -3.369 -1.040 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.195 -4.376 0.361 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -16.411 -4.969 0.547 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -16.946 -3.305 0.425 1.00 0.00 H new ATOM 0 HE ARG A 26 -17.145 -5.219 -1.698 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -16.022 -1.957 -1.108 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -16.207 -1.465 -2.795 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -17.357 -4.593 -3.841 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -16.955 -2.943 -4.327 1.00 0.00 H new ATOM 380 N SER A 27 -12.778 -0.724 2.935 1.00 0.00 N ATOM 381 CA SER A 27 -12.595 0.499 3.762 1.00 0.00 C ATOM 382 C SER A 27 -11.278 1.181 3.373 1.00 0.00 C ATOM 383 O SER A 27 -11.140 2.385 3.471 1.00 0.00 O ATOM 384 CB SER A 27 -12.548 0.106 5.241 1.00 0.00 C ATOM 385 OG SER A 27 -13.520 -0.902 5.488 1.00 0.00 O ATOM 0 H SER A 27 -12.683 -1.608 3.435 1.00 0.00 H new ATOM 0 HA SER A 27 -13.425 1.185 3.593 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.554 -0.259 5.501 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.742 0.977 5.867 1.00 0.00 H new ATOM 0 HG SER A 27 -13.493 -1.158 6.434 1.00 0.00 H new ATOM 391 N ILE A 28 -10.288 0.416 2.980 1.00 0.00 N ATOM 392 CA ILE A 28 -8.964 1.015 2.647 1.00 0.00 C ATOM 393 C ILE A 28 -8.955 1.567 1.218 1.00 0.00 C ATOM 394 O ILE A 28 -8.454 2.643 0.958 1.00 0.00 O ATOM 395 CB ILE A 28 -7.901 -0.075 2.776 1.00 0.00 C ATOM 396 CG1 ILE A 28 -7.813 -0.536 4.234 1.00 0.00 C ATOM 397 CG2 ILE A 28 -6.549 0.474 2.329 1.00 0.00 C ATOM 398 CD1 ILE A 28 -7.066 -1.870 4.305 1.00 0.00 C ATOM 0 H ILE A 28 -10.343 -0.597 2.876 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.760 1.840 3.330 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.173 -0.922 2.146 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.297 0.214 4.833 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.813 -0.645 4.653 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.792 -0.304 2.422 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.613 0.797 1.290 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.276 1.323 2.956 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.004 -2.197 5.343 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.601 -2.618 3.720 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.061 -1.746 3.903 1.00 0.00 H new ATOM 410 N ILE A 29 -9.488 0.825 0.289 1.00 0.00 N ATOM 411 CA ILE A 29 -9.483 1.302 -1.122 1.00 0.00 C ATOM 412 C ILE A 29 -10.394 2.524 -1.259 1.00 0.00 C ATOM 413 O ILE A 29 -10.116 3.423 -2.022 1.00 0.00 O ATOM 414 CB ILE A 29 -9.964 0.181 -2.053 1.00 0.00 C ATOM 415 CG1 ILE A 29 -9.072 -1.060 -1.878 1.00 0.00 C ATOM 416 CG2 ILE A 29 -9.888 0.656 -3.507 1.00 0.00 C ATOM 417 CD1 ILE A 29 -9.786 -2.286 -2.454 1.00 0.00 C ATOM 0 H ILE A 29 -9.924 -0.084 0.443 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.468 1.583 -1.402 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.994 -0.074 -1.803 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.118 -0.910 -2.384 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.851 -1.217 -0.822 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.230 -0.140 -4.168 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.522 1.533 -3.637 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.858 0.914 -3.752 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -9.155 -3.166 -2.331 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.728 -2.439 -1.928 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.984 -2.127 -3.514 1.00 0.00 H new ATOM 429 N GLY A 30 -11.485 2.573 -0.549 1.00 0.00 N ATOM 430 CA GLY A 30 -12.400 3.747 -0.683 1.00 0.00 C ATOM 431 C GLY A 30 -13.401 3.453 -1.801 1.00 0.00 C ATOM 432 O GLY A 30 -13.443 2.360 -2.331 1.00 0.00 O ATOM 0 H GLY A 30 -11.784 1.858 0.115 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.923 3.930 0.256 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.830 4.648 -0.911 1.00 0.00 H new ATOM 436 N LYS A 31 -14.210 4.411 -2.169 1.00 0.00 N ATOM 437 CA LYS A 31 -15.208 4.170 -3.258 1.00 0.00 C ATOM 438 C LYS A 31 -14.609 4.563 -4.611 1.00 0.00 C ATOM 439 O LYS A 31 -15.262 4.488 -5.634 1.00 0.00 O ATOM 440 CB LYS A 31 -16.453 5.010 -2.995 1.00 0.00 C ATOM 441 CG LYS A 31 -17.176 4.477 -1.751 1.00 0.00 C ATOM 442 CD LYS A 31 -18.446 5.309 -1.487 1.00 0.00 C ATOM 443 CE LYS A 31 -19.238 4.732 -0.301 1.00 0.00 C ATOM 444 NZ LYS A 31 -20.390 5.627 -0.001 1.00 0.00 N ATOM 0 H LYS A 31 -14.225 5.348 -1.766 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.472 3.113 -3.276 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -16.176 6.054 -2.848 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -17.118 4.975 -3.858 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.440 3.429 -1.894 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -16.514 4.524 -0.887 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -18.172 6.343 -1.279 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -19.073 5.318 -2.379 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -19.593 3.729 -0.539 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -18.594 4.643 0.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -20.929 5.242 0.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -20.039 6.575 0.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -21.007 5.690 -0.836 1.00 0.00 H new ATOM 458 N GLY A 32 -13.376 4.986 -4.627 1.00 0.00 N ATOM 459 CA GLY A 32 -12.738 5.389 -5.914 1.00 0.00 C ATOM 460 C GLY A 32 -11.221 5.265 -5.792 1.00 0.00 C ATOM 461 O GLY A 32 -10.485 5.863 -6.550 1.00 0.00 O ATOM 0 H GLY A 32 -12.780 5.071 -3.803 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.101 4.758 -6.725 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.011 6.415 -6.162 1.00 0.00 H new ATOM 465 N GLY A 33 -10.737 4.511 -4.847 1.00 0.00 N ATOM 466 CA GLY A 33 -9.261 4.390 -4.701 1.00 0.00 C ATOM 467 C GLY A 33 -8.716 5.705 -4.140 1.00 0.00 C ATOM 468 O GLY A 33 -7.558 5.797 -3.783 1.00 0.00 O ATOM 0 H GLY A 33 -11.292 3.979 -4.176 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.013 3.563 -4.035 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.802 4.171 -5.665 1.00 0.00 H new ATOM 472 N GLN A 34 -9.534 6.733 -4.103 1.00 0.00 N ATOM 473 CA GLN A 34 -9.076 8.076 -3.609 1.00 0.00 C ATOM 474 C GLN A 34 -8.082 7.917 -2.446 1.00 0.00 C ATOM 475 O GLN A 34 -7.245 8.770 -2.223 1.00 0.00 O ATOM 476 CB GLN A 34 -10.305 8.851 -3.098 1.00 0.00 C ATOM 477 CG GLN A 34 -11.110 9.407 -4.281 1.00 0.00 C ATOM 478 CD GLN A 34 -12.326 10.172 -3.754 1.00 0.00 C ATOM 479 OE1 GLN A 34 -13.343 9.582 -3.447 1.00 0.00 O ATOM 480 NE2 GLN A 34 -12.263 11.470 -3.636 1.00 0.00 N ATOM 0 H GLN A 34 -10.510 6.699 -4.397 1.00 0.00 H new ATOM 0 HA GLN A 34 -8.585 8.607 -4.425 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -10.934 8.194 -2.497 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -9.986 9.667 -2.450 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.485 10.066 -4.883 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -11.432 8.593 -4.930 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -11.409 11.965 -3.894 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -13.068 11.990 -3.286 1.00 0.00 H new ATOM 489 N ARG A 35 -8.175 6.856 -1.688 1.00 0.00 N ATOM 490 CA ARG A 35 -7.239 6.692 -0.530 1.00 0.00 C ATOM 491 C ARG A 35 -5.932 6.054 -1.005 1.00 0.00 C ATOM 492 O ARG A 35 -4.866 6.381 -0.521 1.00 0.00 O ATOM 493 CB ARG A 35 -7.888 5.793 0.539 1.00 0.00 C ATOM 494 CG ARG A 35 -6.943 5.626 1.741 1.00 0.00 C ATOM 495 CD ARG A 35 -6.560 6.992 2.334 1.00 0.00 C ATOM 496 NE ARG A 35 -7.709 7.939 2.239 1.00 0.00 N ATOM 497 CZ ARG A 35 -7.713 9.029 2.956 1.00 0.00 C ATOM 498 NH1 ARG A 35 -6.715 9.291 3.754 1.00 0.00 N ATOM 499 NH2 ARG A 35 -8.717 9.860 2.874 1.00 0.00 N ATOM 0 H ARG A 35 -8.850 6.102 -1.816 1.00 0.00 H new ATOM 0 HA ARG A 35 -7.028 7.672 -0.102 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.831 6.230 0.867 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.120 4.817 0.112 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.425 5.016 2.505 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -6.043 5.095 1.430 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.263 6.873 3.376 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.700 7.399 1.802 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.490 7.735 1.615 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.930 8.643 3.818 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.720 10.144 4.314 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.498 9.657 2.250 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.721 10.712 3.434 1.00 0.00 H new ATOM 513 N ILE A 36 -5.993 5.158 -1.951 1.00 0.00 N ATOM 514 CA ILE A 36 -4.738 4.525 -2.446 1.00 0.00 C ATOM 515 C ILE A 36 -3.979 5.538 -3.324 1.00 0.00 C ATOM 516 O ILE A 36 -2.771 5.482 -3.443 1.00 0.00 O ATOM 517 CB ILE A 36 -5.083 3.227 -3.216 1.00 0.00 C ATOM 518 CG1 ILE A 36 -5.089 2.026 -2.243 1.00 0.00 C ATOM 519 CG2 ILE A 36 -4.082 2.972 -4.352 1.00 0.00 C ATOM 520 CD1 ILE A 36 -3.659 1.517 -1.984 1.00 0.00 C ATOM 0 H ILE A 36 -6.851 4.838 -2.400 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.090 4.249 -1.614 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.073 3.346 -3.656 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.550 2.320 -1.300 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.696 1.221 -2.657 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.350 2.054 -4.874 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.105 3.807 -5.052 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.079 2.874 -3.938 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.693 0.672 -1.296 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.209 1.201 -2.925 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.062 2.317 -1.547 1.00 0.00 H new ATOM 532 N LYS A 37 -4.674 6.465 -3.926 1.00 0.00 N ATOM 533 CA LYS A 37 -3.981 7.475 -4.777 1.00 0.00 C ATOM 534 C LYS A 37 -3.204 8.435 -3.874 1.00 0.00 C ATOM 535 O LYS A 37 -2.045 8.719 -4.107 1.00 0.00 O ATOM 536 CB LYS A 37 -5.017 8.261 -5.585 1.00 0.00 C ATOM 537 CG LYS A 37 -5.771 7.311 -6.517 1.00 0.00 C ATOM 538 CD LYS A 37 -6.769 8.110 -7.360 1.00 0.00 C ATOM 539 CE LYS A 37 -7.525 7.162 -8.293 1.00 0.00 C ATOM 540 NZ LYS A 37 -8.509 7.939 -9.098 1.00 0.00 N ATOM 0 H LYS A 37 -5.687 6.567 -3.866 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.296 6.974 -5.461 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.716 8.758 -4.913 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.524 9.041 -6.166 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.069 6.787 -7.165 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.295 6.553 -5.935 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.471 8.635 -6.711 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.245 8.868 -7.942 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.825 6.648 -8.952 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.038 6.395 -7.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.024 7.296 -9.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.183 8.410 -8.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.008 8.654 -9.662 1.00 0.00 H new ATOM 554 N GLN A 38 -3.829 8.940 -2.848 1.00 0.00 N ATOM 555 CA GLN A 38 -3.118 9.883 -1.941 1.00 0.00 C ATOM 556 C GLN A 38 -1.858 9.212 -1.380 1.00 0.00 C ATOM 557 O GLN A 38 -0.763 9.714 -1.527 1.00 0.00 O ATOM 558 CB GLN A 38 -4.046 10.288 -0.791 1.00 0.00 C ATOM 559 CG GLN A 38 -5.100 11.269 -1.306 1.00 0.00 C ATOM 560 CD GLN A 38 -5.985 11.725 -0.144 1.00 0.00 C ATOM 561 OE1 GLN A 38 -5.987 11.040 0.966 1.00 0.00 O flip ATOM 562 NE2 GLN A 38 -6.683 12.714 -0.249 1.00 0.00 N flip ATOM 0 H GLN A 38 -4.798 8.742 -2.599 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.829 10.773 -2.501 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.529 9.406 -0.372 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.469 10.747 0.012 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.616 12.130 -1.768 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.708 10.794 -2.076 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.681 13.250 -1.117 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.271 13.009 0.531 1.00 0.00 H new ATOM 571 N ILE A 39 -2.003 8.082 -0.740 1.00 0.00 N ATOM 572 CA ILE A 39 -0.810 7.387 -0.172 1.00 0.00 C ATOM 573 C ILE A 39 0.284 7.276 -1.237 1.00 0.00 C ATOM 574 O ILE A 39 1.460 7.307 -0.936 1.00 0.00 O ATOM 575 CB ILE A 39 -1.211 5.983 0.287 1.00 0.00 C ATOM 576 CG1 ILE A 39 -2.283 6.087 1.373 1.00 0.00 C ATOM 577 CG2 ILE A 39 0.014 5.261 0.849 1.00 0.00 C ATOM 578 CD1 ILE A 39 -2.874 4.701 1.639 1.00 0.00 C ATOM 0 H ILE A 39 -2.894 7.611 -0.586 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.432 7.959 0.675 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.606 5.424 -0.561 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.851 6.492 2.288 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.068 6.775 1.060 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.271 4.261 1.176 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.778 5.186 0.076 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.409 5.821 1.697 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.638 4.774 2.413 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.321 4.314 0.723 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.085 4.026 1.971 1.00 0.00 H new ATOM 590 N ARG A 40 -0.095 7.141 -2.477 1.00 0.00 N ATOM 591 CA ARG A 40 0.925 7.020 -3.560 1.00 0.00 C ATOM 592 C ARG A 40 1.777 8.292 -3.622 1.00 0.00 C ATOM 593 O ARG A 40 2.969 8.239 -3.850 1.00 0.00 O ATOM 594 CB ARG A 40 0.220 6.819 -4.906 1.00 0.00 C ATOM 595 CG ARG A 40 1.231 6.335 -5.950 1.00 0.00 C ATOM 596 CD ARG A 40 0.503 5.977 -7.250 1.00 0.00 C ATOM 597 NE ARG A 40 1.434 5.243 -8.153 1.00 0.00 N ATOM 598 CZ ARG A 40 0.964 4.587 -9.179 1.00 0.00 C ATOM 599 NH1 ARG A 40 -0.320 4.572 -9.414 1.00 0.00 N ATOM 600 NH2 ARG A 40 1.778 3.945 -9.972 1.00 0.00 N ATOM 0 H ARG A 40 -1.066 7.109 -2.789 1.00 0.00 H new ATOM 0 HA ARG A 40 1.568 6.166 -3.349 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.585 6.092 -4.801 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.235 7.754 -5.232 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.972 7.112 -6.139 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.769 5.466 -5.573 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.371 5.362 -7.033 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.143 6.882 -7.739 1.00 0.00 H new ATOM 0 HE ARG A 40 2.437 5.253 -7.970 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.958 5.073 -8.795 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.686 4.059 -10.216 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.782 3.956 -9.790 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.411 3.432 -10.774 1.00 0.00 H new ATOM 614 N HIS A 41 1.174 9.436 -3.439 1.00 0.00 N ATOM 615 CA HIS A 41 1.950 10.710 -3.507 1.00 0.00 C ATOM 616 C HIS A 41 2.635 10.997 -2.165 1.00 0.00 C ATOM 617 O HIS A 41 3.753 11.468 -2.120 1.00 0.00 O ATOM 618 CB HIS A 41 0.999 11.861 -3.845 1.00 0.00 C ATOM 619 CG HIS A 41 1.787 13.132 -4.006 1.00 0.00 C ATOM 620 ND1 HIS A 41 1.814 14.113 -3.027 1.00 0.00 N ATOM 621 CD2 HIS A 41 2.578 13.598 -5.026 1.00 0.00 C ATOM 622 CE1 HIS A 41 2.599 15.111 -3.475 1.00 0.00 C ATOM 623 NE2 HIS A 41 3.090 14.847 -4.689 1.00 0.00 N ATOM 0 H HIS A 41 0.178 9.544 -3.245 1.00 0.00 H new ATOM 0 HA HIS A 41 2.715 10.615 -4.278 1.00 0.00 H new ATOM 0 HB2 HIS A 41 0.455 11.639 -4.763 1.00 0.00 H new ATOM 0 HB3 HIS A 41 0.257 11.978 -3.055 1.00 0.00 H new ATOM 0 HD2 HIS A 41 2.773 13.075 -5.950 1.00 0.00 H new ATOM 0 HE1 HIS A 41 2.806 16.014 -2.921 1.00 0.00 H new ATOM 0 HE2 HIS A 41 3.708 15.435 -5.249 1.00 0.00 H new ATOM 631 N GLU A 42 1.971 10.732 -1.072 1.00 0.00 N ATOM 632 CA GLU A 42 2.586 11.010 0.260 1.00 0.00 C ATOM 633 C GLU A 42 3.799 10.106 0.489 1.00 0.00 C ATOM 634 O GLU A 42 4.817 10.537 0.992 1.00 0.00 O ATOM 635 CB GLU A 42 1.558 10.758 1.364 1.00 0.00 C ATOM 636 CG GLU A 42 0.297 11.574 1.084 1.00 0.00 C ATOM 637 CD GLU A 42 -0.596 11.577 2.326 1.00 0.00 C ATOM 638 OE1 GLU A 42 -0.767 10.520 2.911 1.00 0.00 O ATOM 639 OE2 GLU A 42 -1.094 12.636 2.670 1.00 0.00 O ATOM 0 H GLU A 42 1.031 10.336 -1.043 1.00 0.00 H new ATOM 0 HA GLU A 42 2.908 12.051 0.283 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.314 9.697 1.412 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.974 11.034 2.333 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.565 12.595 0.813 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.242 11.151 0.237 1.00 0.00 H new ATOM 646 N SER A 43 3.691 8.850 0.152 1.00 0.00 N ATOM 647 CA SER A 43 4.831 7.913 0.381 1.00 0.00 C ATOM 648 C SER A 43 5.794 7.931 -0.810 1.00 0.00 C ATOM 649 O SER A 43 6.950 7.581 -0.686 1.00 0.00 O ATOM 650 CB SER A 43 4.286 6.501 0.581 1.00 0.00 C ATOM 651 OG SER A 43 5.333 5.559 0.384 1.00 0.00 O ATOM 0 H SER A 43 2.863 8.431 -0.272 1.00 0.00 H new ATOM 0 HA SER A 43 5.377 8.230 1.269 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.873 6.397 1.584 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.473 6.310 -0.120 1.00 0.00 H new ATOM 0 HG SER A 43 5.424 4.999 1.183 1.00 0.00 H new ATOM 657 N GLY A 44 5.327 8.312 -1.967 1.00 0.00 N ATOM 658 CA GLY A 44 6.226 8.318 -3.158 1.00 0.00 C ATOM 659 C GLY A 44 6.392 6.878 -3.636 1.00 0.00 C ATOM 660 O GLY A 44 7.106 6.594 -4.577 1.00 0.00 O ATOM 0 H GLY A 44 4.369 8.617 -2.140 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.803 8.935 -3.951 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.194 8.748 -2.901 1.00 0.00 H new ATOM 664 N ALA A 45 5.730 5.968 -2.978 1.00 0.00 N ATOM 665 CA ALA A 45 5.822 4.531 -3.354 1.00 0.00 C ATOM 666 C ALA A 45 4.828 4.216 -4.470 1.00 0.00 C ATOM 667 O ALA A 45 3.863 4.922 -4.684 1.00 0.00 O ATOM 668 CB ALA A 45 5.488 3.674 -2.132 1.00 0.00 C ATOM 0 H ALA A 45 5.120 6.163 -2.184 1.00 0.00 H new ATOM 0 HA ALA A 45 6.832 4.315 -3.702 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.553 2.619 -2.399 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.196 3.890 -1.332 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.477 3.901 -1.794 1.00 0.00 H new ATOM 674 N SER A 46 5.042 3.116 -5.143 1.00 0.00 N ATOM 675 CA SER A 46 4.104 2.671 -6.216 1.00 0.00 C ATOM 676 C SER A 46 3.348 1.469 -5.656 1.00 0.00 C ATOM 677 O SER A 46 3.922 0.658 -4.956 1.00 0.00 O ATOM 678 CB SER A 46 4.895 2.251 -7.456 1.00 0.00 C ATOM 679 OG SER A 46 3.989 1.901 -8.493 1.00 0.00 O ATOM 0 H SER A 46 5.839 2.498 -4.992 1.00 0.00 H new ATOM 0 HA SER A 46 3.423 3.472 -6.504 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.542 3.065 -7.782 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.541 1.405 -7.221 1.00 0.00 H new ATOM 0 HG SER A 46 4.492 1.633 -9.290 1.00 0.00 H new ATOM 685 N ILE A 47 2.070 1.339 -5.919 1.00 0.00 N ATOM 686 CA ILE A 47 1.296 0.184 -5.360 1.00 0.00 C ATOM 687 C ILE A 47 0.370 -0.393 -6.432 1.00 0.00 C ATOM 688 O ILE A 47 -0.267 0.330 -7.172 1.00 0.00 O ATOM 689 CB ILE A 47 0.461 0.667 -4.163 1.00 0.00 C ATOM 690 CG1 ILE A 47 1.405 1.145 -3.051 1.00 0.00 C ATOM 691 CG2 ILE A 47 -0.405 -0.484 -3.638 1.00 0.00 C ATOM 692 CD1 ILE A 47 0.598 1.766 -1.909 1.00 0.00 C ATOM 0 H ILE A 47 1.529 1.982 -6.496 1.00 0.00 H new ATOM 0 HA ILE A 47 1.989 -0.592 -5.036 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.185 1.487 -4.477 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.994 0.307 -2.677 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.108 1.876 -3.449 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.995 -0.138 -2.790 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.072 -0.827 -4.429 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.236 -1.307 -3.322 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.276 2.102 -1.125 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.029 2.616 -2.286 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.087 1.023 -1.502 1.00 0.00 H new ATOM 704 N LYS A 48 0.300 -1.696 -6.521 1.00 0.00 N ATOM 705 CA LYS A 48 -0.568 -2.365 -7.536 1.00 0.00 C ATOM 706 C LYS A 48 -1.522 -3.314 -6.812 1.00 0.00 C ATOM 707 O LYS A 48 -1.097 -4.114 -6.002 1.00 0.00 O ATOM 708 CB LYS A 48 0.322 -3.181 -8.476 1.00 0.00 C ATOM 709 CG LYS A 48 -0.530 -3.815 -9.578 1.00 0.00 C ATOM 710 CD LYS A 48 0.373 -4.579 -10.554 1.00 0.00 C ATOM 711 CE LYS A 48 1.115 -5.712 -9.827 1.00 0.00 C ATOM 712 NZ LYS A 48 0.234 -6.310 -8.784 1.00 0.00 N ATOM 0 H LYS A 48 0.819 -2.337 -5.921 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.133 -1.624 -8.101 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.085 -2.539 -8.917 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.843 -3.957 -7.915 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.263 -4.492 -9.140 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.086 -3.043 -10.110 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.226 -4.991 -11.366 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.093 -3.895 -11.004 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.418 -6.477 -10.542 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.026 -5.326 -9.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.563 -7.271 -8.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.266 -5.725 -7.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.743 -6.352 -9.138 1.00 0.00 H new ATOM 726 N ILE A 49 -2.802 -3.246 -7.086 1.00 0.00 N ATOM 727 CA ILE A 49 -3.778 -4.154 -6.405 1.00 0.00 C ATOM 728 C ILE A 49 -4.186 -5.255 -7.387 1.00 0.00 C ATOM 729 O ILE A 49 -4.571 -4.979 -8.507 1.00 0.00 O ATOM 730 CB ILE A 49 -5.003 -3.331 -5.996 1.00 0.00 C ATOM 731 CG1 ILE A 49 -4.523 -2.056 -5.295 1.00 0.00 C ATOM 732 CG2 ILE A 49 -5.889 -4.141 -5.044 1.00 0.00 C ATOM 733 CD1 ILE A 49 -5.718 -1.275 -4.750 1.00 0.00 C ATOM 0 H ILE A 49 -3.215 -2.597 -7.756 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.335 -4.608 -5.519 1.00 0.00 H new ATOM 0 HB ILE A 49 -5.586 -3.076 -6.881 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.845 -2.312 -4.481 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.962 -1.436 -5.994 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.757 -3.546 -4.760 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.221 -5.052 -5.542 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.320 -4.402 -4.152 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.366 -0.371 -4.254 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.381 -1.003 -5.572 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.261 -1.893 -4.035 1.00 0.00 H new ATOM 745 N ASP A 50 -4.105 -6.498 -6.993 1.00 0.00 N ATOM 746 CA ASP A 50 -4.487 -7.605 -7.920 1.00 0.00 C ATOM 747 C ASP A 50 -5.986 -7.872 -7.784 1.00 0.00 C ATOM 748 O ASP A 50 -6.584 -7.579 -6.769 1.00 0.00 O ATOM 749 CB ASP A 50 -3.707 -8.871 -7.553 1.00 0.00 C ATOM 750 CG ASP A 50 -4.147 -9.366 -6.176 1.00 0.00 C ATOM 751 OD1 ASP A 50 -4.498 -8.535 -5.354 1.00 0.00 O ATOM 752 OD2 ASP A 50 -4.125 -10.568 -5.966 1.00 0.00 O ATOM 0 H ASP A 50 -3.791 -6.795 -6.069 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.254 -7.324 -8.947 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.879 -9.645 -8.301 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.637 -8.663 -7.550 1.00 0.00 H new ATOM 757 N GLU A 51 -6.601 -8.440 -8.785 1.00 0.00 N ATOM 758 CA GLU A 51 -8.056 -8.735 -8.685 1.00 0.00 C ATOM 759 C GLU A 51 -8.262 -9.817 -7.612 1.00 0.00 C ATOM 760 O GLU A 51 -7.385 -10.627 -7.388 1.00 0.00 O ATOM 761 CB GLU A 51 -8.545 -9.261 -10.041 1.00 0.00 C ATOM 762 CG GLU A 51 -8.703 -8.093 -11.018 1.00 0.00 C ATOM 763 CD GLU A 51 -9.092 -8.631 -12.397 1.00 0.00 C ATOM 764 OE1 GLU A 51 -8.197 -8.956 -13.159 1.00 0.00 O ATOM 765 OE2 GLU A 51 -10.280 -8.707 -12.666 1.00 0.00 O ATOM 0 H GLU A 51 -6.160 -8.711 -9.664 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.612 -7.837 -8.417 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.836 -9.987 -10.438 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.497 -9.778 -9.920 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.466 -7.403 -10.657 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.771 -7.532 -11.084 1.00 0.00 H new ATOM 772 N PRO A 52 -9.398 -9.851 -6.950 1.00 0.00 N ATOM 773 CA PRO A 52 -9.636 -10.889 -5.904 1.00 0.00 C ATOM 774 C PRO A 52 -9.609 -12.310 -6.491 1.00 0.00 C ATOM 775 O PRO A 52 -10.064 -12.547 -7.592 1.00 0.00 O ATOM 776 CB PRO A 52 -11.040 -10.518 -5.383 1.00 0.00 C ATOM 777 CG PRO A 52 -11.654 -9.499 -6.358 1.00 0.00 C ATOM 778 CD PRO A 52 -10.511 -8.885 -7.180 1.00 0.00 C ATOM 0 HA PRO A 52 -8.871 -10.901 -5.127 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.668 -11.406 -5.314 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.975 -10.095 -4.380 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.377 -9.985 -7.013 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.191 -8.723 -5.812 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.768 -8.805 -8.236 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.256 -7.882 -6.837 1.00 0.00 H new ATOM 853 N ASP A 58 -10.388 -12.373 0.424 1.00 0.00 N ATOM 854 CA ASP A 58 -9.357 -11.361 0.807 1.00 0.00 C ATOM 855 C ASP A 58 -8.838 -10.624 -0.433 1.00 0.00 C ATOM 856 O ASP A 58 -8.938 -11.095 -1.548 1.00 0.00 O ATOM 857 CB ASP A 58 -8.192 -12.081 1.489 1.00 0.00 C ATOM 858 CG ASP A 58 -8.739 -13.082 2.508 1.00 0.00 C ATOM 859 OD1 ASP A 58 -9.284 -14.089 2.086 1.00 0.00 O ATOM 860 OD2 ASP A 58 -8.605 -12.824 3.693 1.00 0.00 O ATOM 0 HA ASP A 58 -9.805 -10.633 1.483 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.584 -12.597 0.746 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.544 -11.358 1.985 1.00 0.00 H new ATOM 865 N ARG A 59 -8.261 -9.469 -0.219 1.00 0.00 N ATOM 866 CA ARG A 59 -7.687 -8.652 -1.332 1.00 0.00 C ATOM 867 C ARG A 59 -6.168 -8.589 -1.128 1.00 0.00 C ATOM 868 O ARG A 59 -5.699 -8.458 -0.016 1.00 0.00 O ATOM 869 CB ARG A 59 -8.293 -7.226 -1.275 1.00 0.00 C ATOM 870 CG ARG A 59 -8.608 -6.712 -2.693 1.00 0.00 C ATOM 871 CD ARG A 59 -9.957 -7.264 -3.164 1.00 0.00 C ATOM 872 NE ARG A 59 -11.024 -6.851 -2.209 1.00 0.00 N ATOM 873 CZ ARG A 59 -12.279 -6.939 -2.555 1.00 0.00 C ATOM 874 NH1 ARG A 59 -12.600 -7.384 -3.739 1.00 0.00 N ATOM 875 NH2 ARG A 59 -13.214 -6.581 -1.717 1.00 0.00 N ATOM 0 H ARG A 59 -8.161 -9.047 0.704 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.916 -9.092 -2.303 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -9.203 -7.236 -0.676 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.595 -6.548 -0.784 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.631 -5.622 -2.697 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.821 -7.017 -3.382 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.185 -6.893 -4.163 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.914 -8.351 -3.230 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.773 -6.500 -1.285 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -11.870 -7.663 -4.394 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -13.581 -7.453 -4.009 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -12.963 -6.232 -0.792 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -14.195 -6.650 -1.988 1.00 0.00 H new ATOM 889 N ILE A 60 -5.396 -8.713 -2.182 1.00 0.00 N ATOM 890 CA ILE A 60 -3.902 -8.690 -2.038 1.00 0.00 C ATOM 891 C ILE A 60 -3.312 -7.429 -2.682 1.00 0.00 C ATOM 892 O ILE A 60 -3.756 -6.982 -3.722 1.00 0.00 O ATOM 893 CB ILE A 60 -3.337 -9.943 -2.706 1.00 0.00 C ATOM 894 CG1 ILE A 60 -3.739 -11.163 -1.868 1.00 0.00 C ATOM 895 CG2 ILE A 60 -1.809 -9.854 -2.775 1.00 0.00 C ATOM 896 CD1 ILE A 60 -3.538 -12.431 -2.684 1.00 0.00 C ATOM 0 H ILE A 60 -5.735 -8.829 -3.137 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.635 -8.675 -0.981 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.731 -10.032 -3.718 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.140 -11.205 -0.958 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.781 -11.078 -1.560 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.414 -10.751 -3.252 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.521 -8.977 -3.355 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.403 -9.771 -1.767 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.824 -13.297 -2.087 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.156 -12.388 -3.581 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.490 -12.518 -2.970 1.00 0.00 H new ATOM 908 N ILE A 61 -2.317 -6.854 -2.055 1.00 0.00 N ATOM 909 CA ILE A 61 -1.681 -5.611 -2.605 1.00 0.00 C ATOM 910 C ILE A 61 -0.169 -5.799 -2.758 1.00 0.00 C ATOM 911 O ILE A 61 0.461 -6.475 -1.973 1.00 0.00 O ATOM 912 CB ILE A 61 -1.929 -4.442 -1.642 1.00 0.00 C ATOM 913 CG1 ILE A 61 -3.420 -4.104 -1.629 1.00 0.00 C ATOM 914 CG2 ILE A 61 -1.140 -3.217 -2.118 1.00 0.00 C ATOM 915 CD1 ILE A 61 -3.705 -3.089 -0.520 1.00 0.00 C ATOM 0 H ILE A 61 -1.914 -7.192 -1.181 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.120 -5.404 -3.581 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.606 -4.721 -0.639 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.720 -3.697 -2.595 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.007 -5.008 -1.468 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.314 -2.385 -1.436 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.076 -3.454 -2.137 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.468 -2.940 -3.120 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.768 -2.848 -0.511 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.421 -3.513 0.443 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.129 -2.181 -0.701 1.00 0.00 H new ATOM 927 N THR A 62 0.411 -5.196 -3.769 1.00 0.00 N ATOM 928 CA THR A 62 1.887 -5.316 -3.999 1.00 0.00 C ATOM 929 C THR A 62 2.529 -3.928 -3.901 1.00 0.00 C ATOM 930 O THR A 62 2.162 -3.015 -4.613 1.00 0.00 O ATOM 931 CB THR A 62 2.133 -5.895 -5.398 1.00 0.00 C ATOM 932 OG1 THR A 62 1.610 -7.214 -5.459 1.00 0.00 O ATOM 933 CG2 THR A 62 3.635 -5.928 -5.681 1.00 0.00 C ATOM 0 H THR A 62 -0.081 -4.620 -4.452 1.00 0.00 H new ATOM 0 HA THR A 62 2.325 -5.974 -3.248 1.00 0.00 H new ATOM 0 HB THR A 62 1.639 -5.271 -6.143 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.764 -7.586 -6.352 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.809 -6.340 -6.675 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.037 -4.916 -5.632 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.132 -6.552 -4.938 1.00 0.00 H new ATOM 941 N ILE A 63 3.486 -3.760 -3.018 1.00 0.00 N ATOM 942 CA ILE A 63 4.162 -2.433 -2.856 1.00 0.00 C ATOM 943 C ILE A 63 5.544 -2.481 -3.512 1.00 0.00 C ATOM 944 O ILE A 63 6.295 -3.410 -3.286 1.00 0.00 O ATOM 945 CB ILE A 63 4.347 -2.150 -1.363 1.00 0.00 C ATOM 946 CG1 ILE A 63 3.030 -2.424 -0.630 1.00 0.00 C ATOM 947 CG2 ILE A 63 4.754 -0.682 -1.173 1.00 0.00 C ATOM 948 CD1 ILE A 63 3.139 -1.955 0.821 1.00 0.00 C ATOM 0 H ILE A 63 3.830 -4.493 -2.397 1.00 0.00 H new ATOM 0 HA ILE A 63 3.555 -1.656 -3.321 1.00 0.00 H new ATOM 0 HB ILE A 63 5.126 -2.795 -0.957 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.211 -1.906 -1.129 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.800 -3.489 -0.662 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.887 -0.476 -0.111 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.690 -0.493 -1.699 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.975 -0.034 -1.574 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.200 -2.152 1.338 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.947 -2.493 1.318 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.348 -0.885 0.843 1.00 0.00 H new ATOM 960 N THR A 64 5.904 -1.498 -4.305 1.00 0.00 N ATOM 961 CA THR A 64 7.265 -1.511 -4.946 1.00 0.00 C ATOM 962 C THR A 64 7.931 -0.150 -4.744 1.00 0.00 C ATOM 963 O THR A 64 7.342 0.881 -5.005 1.00 0.00 O ATOM 964 CB THR A 64 7.131 -1.798 -6.444 1.00 0.00 C ATOM 965 OG1 THR A 64 6.228 -2.879 -6.638 1.00 0.00 O ATOM 966 CG2 THR A 64 8.498 -2.163 -7.021 1.00 0.00 C ATOM 0 H THR A 64 5.322 -0.693 -4.536 1.00 0.00 H new ATOM 0 HA THR A 64 7.874 -2.290 -4.486 1.00 0.00 H new ATOM 0 HB THR A 64 6.752 -0.911 -6.951 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.140 -3.063 -7.596 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.400 -2.367 -8.087 1.00 0.00 H new ATOM 0 HG22 THR A 64 9.189 -1.333 -6.872 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.881 -3.050 -6.516 1.00 0.00 H new ATOM 974 N GLY A 65 9.151 -0.129 -4.269 1.00 0.00 N ATOM 975 CA GLY A 65 9.856 1.161 -4.035 1.00 0.00 C ATOM 976 C GLY A 65 11.039 0.914 -3.090 1.00 0.00 C ATOM 977 O GLY A 65 11.354 -0.214 -2.765 1.00 0.00 O ATOM 0 H GLY A 65 9.691 -0.961 -4.032 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.208 1.575 -4.980 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.173 1.891 -3.601 1.00 0.00 H new ATOM 981 N THR A 66 11.693 1.951 -2.642 1.00 0.00 N ATOM 982 CA THR A 66 12.849 1.756 -1.716 1.00 0.00 C ATOM 983 C THR A 66 12.334 1.326 -0.337 1.00 0.00 C ATOM 984 O THR A 66 11.185 1.518 0.004 1.00 0.00 O ATOM 985 CB THR A 66 13.646 3.056 -1.593 1.00 0.00 C ATOM 986 OG1 THR A 66 12.750 4.147 -1.441 1.00 0.00 O ATOM 987 CG2 THR A 66 14.491 3.256 -2.852 1.00 0.00 C ATOM 0 H THR A 66 11.480 2.921 -2.875 1.00 0.00 H new ATOM 0 HA THR A 66 13.502 0.980 -2.115 1.00 0.00 H new ATOM 0 HB THR A 66 14.301 3.002 -0.723 1.00 0.00 H new ATOM 0 HG1 THR A 66 12.872 4.776 -2.182 1.00 0.00 H new ATOM 0 HG21 THR A 66 15.059 4.182 -2.765 1.00 0.00 H new ATOM 0 HG22 THR A 66 15.178 2.418 -2.966 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.838 3.311 -3.723 1.00 0.00 H new ATOM 995 N GLN A 67 13.195 0.728 0.448 1.00 0.00 N ATOM 996 CA GLN A 67 12.797 0.252 1.806 1.00 0.00 C ATOM 997 C GLN A 67 12.020 1.348 2.545 1.00 0.00 C ATOM 998 O GLN A 67 10.990 1.100 3.137 1.00 0.00 O ATOM 999 CB GLN A 67 14.071 -0.116 2.603 1.00 0.00 C ATOM 1000 CG GLN A 67 13.807 -1.327 3.508 1.00 0.00 C ATOM 1001 CD GLN A 67 12.591 -1.050 4.393 1.00 0.00 C ATOM 1002 OE1 GLN A 67 12.426 0.140 4.898 1.00 0.00 O flip ATOM 1003 NE2 GLN A 67 11.783 -1.927 4.628 1.00 0.00 N flip ATOM 0 H GLN A 67 14.168 0.548 0.201 1.00 0.00 H new ATOM 0 HA GLN A 67 12.155 -0.624 1.710 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.886 -0.340 1.915 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.388 0.734 3.207 1.00 0.00 H new ATOM 0 HG2 GLN A 67 13.633 -2.216 2.902 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.681 -1.529 4.127 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.912 -2.858 4.233 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.976 -1.732 5.220 1.00 0.00 H new ATOM 1012 N ASP A 68 12.515 2.552 2.527 1.00 0.00 N ATOM 1013 CA ASP A 68 11.814 3.653 3.240 1.00 0.00 C ATOM 1014 C ASP A 68 10.492 3.965 2.541 1.00 0.00 C ATOM 1015 O ASP A 68 9.465 4.095 3.177 1.00 0.00 O ATOM 1016 CB ASP A 68 12.695 4.903 3.256 1.00 0.00 C ATOM 1017 CG ASP A 68 14.037 4.575 3.914 1.00 0.00 C ATOM 1018 OD1 ASP A 68 14.023 3.930 4.949 1.00 0.00 O ATOM 1019 OD2 ASP A 68 15.053 4.975 3.372 1.00 0.00 O ATOM 0 H ASP A 68 13.375 2.821 2.049 1.00 0.00 H new ATOM 0 HA ASP A 68 11.613 3.342 4.265 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.855 5.261 2.239 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.197 5.705 3.802 1.00 0.00 H new ATOM 1024 N GLN A 69 10.497 4.096 1.244 1.00 0.00 N ATOM 1025 CA GLN A 69 9.226 4.407 0.537 1.00 0.00 C ATOM 1026 C GLN A 69 8.186 3.334 0.867 1.00 0.00 C ATOM 1027 O GLN A 69 7.006 3.603 0.970 1.00 0.00 O ATOM 1028 CB GLN A 69 9.470 4.435 -0.973 1.00 0.00 C ATOM 1029 CG GLN A 69 10.284 5.677 -1.338 1.00 0.00 C ATOM 1030 CD GLN A 69 10.742 5.577 -2.795 1.00 0.00 C ATOM 1031 OE1 GLN A 69 11.860 5.924 -3.117 1.00 0.00 O ATOM 1032 NE2 GLN A 69 9.918 5.113 -3.694 1.00 0.00 N ATOM 0 H GLN A 69 11.319 4.002 0.648 1.00 0.00 H new ATOM 0 HA GLN A 69 8.861 5.382 0.860 1.00 0.00 H new ATOM 0 HB2 GLN A 69 10.002 3.535 -1.282 1.00 0.00 H new ATOM 0 HB3 GLN A 69 8.519 4.442 -1.505 1.00 0.00 H new ATOM 0 HG2 GLN A 69 9.682 6.574 -1.196 1.00 0.00 H new ATOM 0 HG3 GLN A 69 11.148 5.765 -0.679 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.979 4.822 -3.423 1.00 0.00 H new ATOM 0 HE22 GLN A 69 10.213 5.042 -4.668 1.00 0.00 H new ATOM 1041 N ILE A 70 8.626 2.113 1.034 1.00 0.00 N ATOM 1042 CA ILE A 70 7.690 0.999 1.357 1.00 0.00 C ATOM 1043 C ILE A 70 7.215 1.103 2.811 1.00 0.00 C ATOM 1044 O ILE A 70 6.042 0.957 3.092 1.00 0.00 O ATOM 1045 CB ILE A 70 8.414 -0.343 1.152 1.00 0.00 C ATOM 1046 CG1 ILE A 70 8.614 -0.587 -0.348 1.00 0.00 C ATOM 1047 CG2 ILE A 70 7.579 -1.487 1.744 1.00 0.00 C ATOM 1048 CD1 ILE A 70 9.546 -1.784 -0.556 1.00 0.00 C ATOM 0 H ILE A 70 9.606 1.839 0.959 1.00 0.00 H new ATOM 0 HA ILE A 70 6.823 1.062 0.699 1.00 0.00 H new ATOM 0 HB ILE A 70 9.381 -0.308 1.655 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.653 -0.774 -0.827 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.037 0.301 -0.818 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.100 -2.433 1.594 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.434 -1.318 2.811 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.609 -1.524 1.248 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.686 -1.955 -1.623 1.00 0.00 H new ATOM 0 HD12 ILE A 70 10.511 -1.579 -0.092 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.106 -2.671 -0.101 1.00 0.00 H new ATOM 1060 N GLN A 71 8.100 1.349 3.743 1.00 0.00 N ATOM 1061 CA GLN A 71 7.679 1.455 5.169 1.00 0.00 C ATOM 1062 C GLN A 71 6.671 2.595 5.323 1.00 0.00 C ATOM 1063 O GLN A 71 5.668 2.460 5.995 1.00 0.00 O ATOM 1064 CB GLN A 71 8.912 1.741 6.035 1.00 0.00 C ATOM 1065 CG GLN A 71 8.575 1.542 7.517 1.00 0.00 C ATOM 1066 CD GLN A 71 7.695 2.695 8.005 1.00 0.00 C ATOM 1067 OE1 GLN A 71 7.952 3.911 7.605 1.00 0.00 O flip ATOM 1068 NE2 GLN A 71 6.765 2.487 8.758 1.00 0.00 N flip ATOM 0 H GLN A 71 9.097 1.481 3.576 1.00 0.00 H new ATOM 0 HA GLN A 71 7.215 0.521 5.485 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.729 1.079 5.748 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.255 2.762 5.866 1.00 0.00 H new ATOM 0 HG2 GLN A 71 8.058 0.593 7.658 1.00 0.00 H new ATOM 0 HG3 GLN A 71 9.491 1.497 8.105 1.00 0.00 H new ATOM 0 HE21 GLN A 71 6.564 1.537 9.070 1.00 0.00 H new ATOM 0 HE22 GLN A 71 6.185 3.262 9.078 1.00 0.00 H new ATOM 1077 N ASN A 72 6.925 3.718 4.706 1.00 0.00 N ATOM 1078 CA ASN A 72 5.975 4.858 4.821 1.00 0.00 C ATOM 1079 C ASN A 72 4.624 4.434 4.250 1.00 0.00 C ATOM 1080 O ASN A 72 3.582 4.867 4.699 1.00 0.00 O ATOM 1081 CB ASN A 72 6.510 6.057 4.033 1.00 0.00 C ATOM 1082 CG ASN A 72 5.691 7.301 4.380 1.00 0.00 C ATOM 1083 OD1 ASN A 72 4.572 7.198 4.842 1.00 0.00 O ATOM 1084 ND2 ASN A 72 6.204 8.483 4.173 1.00 0.00 N ATOM 0 H ASN A 72 7.748 3.893 4.129 1.00 0.00 H new ATOM 0 HA ASN A 72 5.864 5.140 5.868 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.561 6.222 4.271 1.00 0.00 H new ATOM 0 HB3 ASN A 72 6.453 5.857 2.963 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.666 9.319 4.399 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.143 8.570 3.785 1.00 0.00 H new ATOM 1091 N ALA A 73 4.638 3.589 3.258 1.00 0.00 N ATOM 1092 CA ALA A 73 3.362 3.133 2.646 1.00 0.00 C ATOM 1093 C ALA A 73 2.702 2.090 3.549 1.00 0.00 C ATOM 1094 O ALA A 73 1.515 2.135 3.805 1.00 0.00 O ATOM 1095 CB ALA A 73 3.652 2.514 1.279 1.00 0.00 C ATOM 0 H ALA A 73 5.482 3.194 2.844 1.00 0.00 H new ATOM 0 HA ALA A 73 2.690 3.983 2.529 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.719 2.178 0.826 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.121 3.258 0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.323 1.664 1.400 1.00 0.00 H new ATOM 1101 N GLN A 74 3.463 1.141 4.027 1.00 0.00 N ATOM 1102 CA GLN A 74 2.893 0.081 4.907 1.00 0.00 C ATOM 1103 C GLN A 74 2.234 0.711 6.136 1.00 0.00 C ATOM 1104 O GLN A 74 1.126 0.368 6.498 1.00 0.00 O ATOM 1105 CB GLN A 74 4.014 -0.855 5.362 1.00 0.00 C ATOM 1106 CG GLN A 74 4.492 -1.698 4.178 1.00 0.00 C ATOM 1107 CD GLN A 74 5.741 -2.483 4.580 1.00 0.00 C ATOM 1108 OE1 GLN A 74 6.535 -2.018 5.374 1.00 0.00 O ATOM 1109 NE2 GLN A 74 5.950 -3.663 4.063 1.00 0.00 N ATOM 0 H GLN A 74 4.463 1.055 3.843 1.00 0.00 H new ATOM 0 HA GLN A 74 2.143 -0.479 4.348 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.844 -0.275 5.767 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.658 -1.503 6.162 1.00 0.00 H new ATOM 0 HG2 GLN A 74 3.704 -2.383 3.865 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.713 -1.055 3.326 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.284 -4.053 3.397 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.780 -4.195 4.325 1.00 0.00 H new ATOM 1118 N TYR A 75 2.907 1.615 6.794 1.00 0.00 N ATOM 1119 CA TYR A 75 2.311 2.240 8.009 1.00 0.00 C ATOM 1120 C TYR A 75 1.019 2.971 7.640 1.00 0.00 C ATOM 1121 O TYR A 75 0.048 2.925 8.369 1.00 0.00 O ATOM 1122 CB TYR A 75 3.306 3.222 8.632 1.00 0.00 C ATOM 1123 CG TYR A 75 2.731 3.773 9.915 1.00 0.00 C ATOM 1124 CD1 TYR A 75 2.974 3.119 11.130 1.00 0.00 C ATOM 1125 CD2 TYR A 75 1.957 4.940 9.891 1.00 0.00 C ATOM 1126 CE1 TYR A 75 2.441 3.631 12.319 1.00 0.00 C ATOM 1127 CE2 TYR A 75 1.425 5.451 11.081 1.00 0.00 C ATOM 1128 CZ TYR A 75 1.667 4.797 12.294 1.00 0.00 C ATOM 1129 OH TYR A 75 1.142 5.302 13.466 1.00 0.00 O ATOM 0 H TYR A 75 3.839 1.947 6.545 1.00 0.00 H new ATOM 0 HA TYR A 75 2.082 1.459 8.734 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.253 2.720 8.831 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.516 4.034 7.936 1.00 0.00 H new ATOM 0 HD1 TYR A 75 3.572 2.220 11.149 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.771 5.445 8.955 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.627 3.126 13.256 1.00 0.00 H new ATOM 0 HE2 TYR A 75 0.828 6.350 11.063 1.00 0.00 H new ATOM 0 HH TYR A 75 0.842 6.223 13.320 1.00 0.00 H new ATOM 1139 N LEU A 76 0.983 3.643 6.521 1.00 0.00 N ATOM 1140 CA LEU A 76 -0.271 4.358 6.145 1.00 0.00 C ATOM 1141 C LEU A 76 -1.352 3.327 5.819 1.00 0.00 C ATOM 1142 O LEU A 76 -2.530 3.589 5.953 1.00 0.00 O ATOM 1143 CB LEU A 76 -0.027 5.265 4.933 1.00 0.00 C ATOM 1144 CG LEU A 76 1.001 6.355 5.284 1.00 0.00 C ATOM 1145 CD1 LEU A 76 1.597 6.931 3.996 1.00 0.00 C ATOM 1146 CD2 LEU A 76 0.329 7.489 6.070 1.00 0.00 C ATOM 0 H LEU A 76 1.755 3.728 5.860 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.596 4.981 6.978 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.333 4.672 4.092 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.964 5.726 4.620 1.00 0.00 H new ATOM 0 HG LEU A 76 1.787 5.909 5.894 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.325 7.703 4.245 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.089 6.136 3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.802 7.365 3.389 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.069 8.253 6.311 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.464 7.930 5.466 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.095 7.091 6.992 1.00 0.00 H new ATOM 1158 N LEU A 77 -0.965 2.148 5.412 1.00 0.00 N ATOM 1159 CA LEU A 77 -1.982 1.103 5.106 1.00 0.00 C ATOM 1160 C LEU A 77 -2.541 0.576 6.429 1.00 0.00 C ATOM 1161 O LEU A 77 -3.736 0.441 6.605 1.00 0.00 O ATOM 1162 CB LEU A 77 -1.332 -0.046 4.315 1.00 0.00 C ATOM 1163 CG LEU A 77 -1.231 0.325 2.820 1.00 0.00 C ATOM 1164 CD1 LEU A 77 -0.150 -0.528 2.148 1.00 0.00 C ATOM 1165 CD2 LEU A 77 -2.571 0.071 2.109 1.00 0.00 C ATOM 0 H LEU A 77 0.006 1.865 5.279 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.785 1.526 4.502 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.339 -0.255 4.713 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.920 -0.956 4.432 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.977 1.382 2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.081 -0.263 1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.810 -0.345 2.631 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.408 -1.583 2.242 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.481 0.338 1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.834 -0.983 2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.349 0.678 2.572 1.00 0.00 H new ATOM 1177 N GLN A 78 -1.676 0.286 7.364 1.00 0.00 N ATOM 1178 CA GLN A 78 -2.135 -0.222 8.686 1.00 0.00 C ATOM 1179 C GLN A 78 -3.011 0.834 9.364 1.00 0.00 C ATOM 1180 O GLN A 78 -3.994 0.521 10.006 1.00 0.00 O ATOM 1181 CB GLN A 78 -0.911 -0.509 9.565 1.00 0.00 C ATOM 1182 CG GLN A 78 -1.368 -1.105 10.898 1.00 0.00 C ATOM 1183 CD GLN A 78 -0.148 -1.572 11.694 1.00 0.00 C ATOM 1184 OE1 GLN A 78 1.044 -1.426 11.182 1.00 0.00 O flip ATOM 1185 NE2 GLN A 78 -0.280 -2.075 12.792 1.00 0.00 N flip ATOM 0 H GLN A 78 -0.665 0.380 7.266 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.713 -1.136 8.547 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.239 -1.201 9.057 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -0.351 0.410 9.738 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -1.925 -0.362 11.469 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.043 -1.943 10.722 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.211 -2.189 13.192 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.540 -2.383 13.314 1.00 0.00 H new ATOM 1194 N ASN A 79 -2.657 2.089 9.230 1.00 0.00 N ATOM 1195 CA ASN A 79 -3.470 3.162 9.872 1.00 0.00 C ATOM 1196 C ASN A 79 -4.719 3.433 9.031 1.00 0.00 C ATOM 1197 O ASN A 79 -5.719 3.895 9.542 1.00 0.00 O ATOM 1198 CB ASN A 79 -2.640 4.437 10.034 1.00 0.00 C ATOM 1199 CG ASN A 79 -1.653 4.258 11.190 1.00 0.00 C ATOM 1200 OD1 ASN A 79 -0.963 3.154 11.280 1.00 0.00 O flip ATOM 1201 ND2 ASN A 79 -1.508 5.134 12.021 1.00 0.00 N flip ATOM 0 H ASN A 79 -1.844 2.413 8.706 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.778 2.832 10.864 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.101 4.653 9.111 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.294 5.287 10.228 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.047 5.997 11.951 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.847 5.006 12.788 1.00 0.00 H new ATOM 1208 N SER A 80 -4.693 3.154 7.757 1.00 0.00 N ATOM 1209 CA SER A 80 -5.919 3.416 6.953 1.00 0.00 C ATOM 1210 C SER A 80 -7.027 2.528 7.517 1.00 0.00 C ATOM 1211 O SER A 80 -8.179 2.906 7.585 1.00 0.00 O ATOM 1212 CB SER A 80 -5.665 3.081 5.483 1.00 0.00 C ATOM 1213 OG SER A 80 -5.436 1.684 5.352 1.00 0.00 O ATOM 0 H SER A 80 -3.898 2.766 7.248 1.00 0.00 H new ATOM 0 HA SER A 80 -6.203 4.467 7.009 1.00 0.00 H new ATOM 0 HB2 SER A 80 -6.521 3.379 4.877 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.804 3.638 5.115 1.00 0.00 H new ATOM 0 HG SER A 80 -4.677 1.423 5.915 1.00 0.00 H new ATOM 1219 N VAL A 81 -6.665 1.339 7.915 1.00 0.00 N ATOM 1220 CA VAL A 81 -7.655 0.376 8.479 1.00 0.00 C ATOM 1221 C VAL A 81 -8.616 1.100 9.426 1.00 0.00 C ATOM 1222 O VAL A 81 -9.816 0.928 9.349 1.00 0.00 O ATOM 1223 CB VAL A 81 -6.915 -0.713 9.259 1.00 0.00 C ATOM 1224 CG1 VAL A 81 -7.914 -1.778 9.715 1.00 0.00 C ATOM 1225 CG2 VAL A 81 -5.855 -1.359 8.364 1.00 0.00 C ATOM 0 H VAL A 81 -5.708 0.988 7.873 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.222 -0.068 7.661 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.430 -0.269 10.129 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.389 -2.555 10.271 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.667 -1.320 10.356 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.398 -2.219 8.844 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.330 -2.134 8.923 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.336 -1.803 7.492 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.143 -0.601 8.038 1.00 0.00 H new