USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=19 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 66 THR OG1 : rot 123:sc=-0.00733 USER MOD Set 1.2: A 69 GLN :FLIP amide:sc= 0.429 F(o=-4.5!,f=0.42) USER MOD Set 2.1: A 48 LYS NZ :NH3+ -177:sc= -2.04 (180deg=-2.12) USER MOD Set 2.2: 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 :FLIP amide:sc= -0.0213 F(o=-0.57,f=-0.021) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -148:sc= -0.249 (180deg=-1.21!) USER MOD Single : A 27 SER OG : rot -27:sc= 0.398 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+ -166:sc= 0 (180deg=-0.201) USER MOD Single : A 38 GLN : amide:sc=-0.00152 X(o=-0.0015,f=-0.42) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=-0.0079) USER MOD Single : A 43 SER OG : rot -79:sc= 0.493 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= -2.8! C(o=-4.5!,f=-2.8!) USER MOD Single : A 71 GLN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : A 72 ASN : amide:sc= -2.06 K(o=-2.1,f=-5.2!) USER MOD Single : A 74 GLN : amide:sc= -1.62 K(o=-1.6,f=-2.2!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 79 ASN : amide:sc= -1.37 K(o=-1.4,f=-2.4!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 147 N ILE A 13 15.757 -2.077 -5.587 1.00 0.00 N ATOM 148 CA ILE A 13 14.274 -1.995 -5.469 1.00 0.00 C ATOM 149 C ILE A 13 13.759 -3.254 -4.767 1.00 0.00 C ATOM 150 O ILE A 13 14.266 -4.337 -4.978 1.00 0.00 O ATOM 151 CB ILE A 13 13.661 -1.901 -6.872 1.00 0.00 C ATOM 152 CG1 ILE A 13 14.386 -0.818 -7.682 1.00 0.00 C ATOM 153 CG2 ILE A 13 12.173 -1.554 -6.775 1.00 0.00 C ATOM 154 CD1 ILE A 13 14.424 0.495 -6.893 1.00 0.00 C ATOM 0 HA ILE A 13 13.994 -1.114 -4.891 1.00 0.00 H new ATOM 0 HB ILE A 13 13.771 -2.864 -7.370 1.00 0.00 H new ATOM 0 HG12 ILE A 13 15.401 -1.143 -7.911 1.00 0.00 H new ATOM 0 HG13 ILE A 13 13.878 -0.664 -8.634 1.00 0.00 H new ATOM 0 HG21 ILE A 13 11.748 -1.490 -7.777 1.00 0.00 H new ATOM 0 HG22 ILE A 13 11.655 -2.329 -6.210 1.00 0.00 H new ATOM 0 HG23 ILE A 13 12.055 -0.596 -6.269 1.00 0.00 H new ATOM 0 HD11 ILE A 13 14.941 1.256 -7.478 1.00 0.00 H new ATOM 0 HD12 ILE A 13 13.406 0.825 -6.687 1.00 0.00 H new ATOM 0 HD13 ILE A 13 14.952 0.339 -5.952 1.00 0.00 H new ATOM 166 N ILE A 14 12.774 -3.118 -3.913 1.00 0.00 N ATOM 167 CA ILE A 14 12.234 -4.295 -3.162 1.00 0.00 C ATOM 168 C ILE A 14 10.732 -4.420 -3.414 1.00 0.00 C ATOM 169 O ILE A 14 10.051 -3.434 -3.616 1.00 0.00 O ATOM 170 CB ILE A 14 12.479 -4.057 -1.669 1.00 0.00 C ATOM 171 CG1 ILE A 14 13.984 -3.926 -1.427 1.00 0.00 C ATOM 172 CG2 ILE A 14 11.934 -5.229 -0.850 1.00 0.00 C ATOM 173 CD1 ILE A 14 14.234 -3.473 0.011 1.00 0.00 C ATOM 0 H ILE A 14 12.316 -2.231 -3.702 1.00 0.00 H new ATOM 0 HA ILE A 14 12.726 -5.211 -3.490 1.00 0.00 H new ATOM 0 HB ILE A 14 11.968 -3.144 -1.362 1.00 0.00 H new ATOM 0 HG12 ILE A 14 14.476 -4.881 -1.609 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.414 -3.208 -2.125 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.114 -5.048 0.210 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.862 -5.327 -1.024 1.00 0.00 H new ATOM 0 HG23 ILE A 14 12.436 -6.148 -1.151 1.00 0.00 H new ATOM 0 HD11 ILE A 14 15.306 -3.380 0.182 1.00 0.00 H new ATOM 0 HD12 ILE A 14 13.755 -2.508 0.177 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.819 -4.207 0.701 1.00 0.00 H new ATOM 185 N THR A 15 10.203 -5.618 -3.387 1.00 0.00 N ATOM 186 CA THR A 15 8.738 -5.823 -3.600 1.00 0.00 C ATOM 187 C THR A 15 8.197 -6.661 -2.443 1.00 0.00 C ATOM 188 O THR A 15 8.805 -7.626 -2.021 1.00 0.00 O ATOM 189 CB THR A 15 8.509 -6.568 -4.917 1.00 0.00 C ATOM 190 OG1 THR A 15 9.352 -6.023 -5.922 1.00 0.00 O ATOM 191 CG2 THR A 15 7.046 -6.427 -5.339 1.00 0.00 C ATOM 0 H THR A 15 10.732 -6.474 -3.224 1.00 0.00 H new ATOM 0 HA THR A 15 8.228 -4.861 -3.642 1.00 0.00 H new ATOM 0 HB THR A 15 8.743 -7.624 -4.782 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.207 -6.501 -6.765 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.885 -6.958 -6.277 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.402 -6.850 -4.568 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.806 -5.372 -5.474 1.00 0.00 H new ATOM 199 N THR A 16 7.057 -6.299 -1.930 1.00 0.00 N ATOM 200 CA THR A 16 6.447 -7.060 -0.797 1.00 0.00 C ATOM 201 C THR A 16 4.943 -7.170 -1.042 1.00 0.00 C ATOM 202 O THR A 16 4.343 -6.259 -1.578 1.00 0.00 O ATOM 203 CB THR A 16 6.708 -6.313 0.517 1.00 0.00 C ATOM 204 OG1 THR A 16 6.062 -6.996 1.584 1.00 0.00 O ATOM 205 CG2 THR A 16 6.165 -4.885 0.424 1.00 0.00 C ATOM 0 H THR A 16 6.512 -5.498 -2.249 1.00 0.00 H new ATOM 0 HA THR A 16 6.885 -8.056 -0.731 1.00 0.00 H new ATOM 0 HB THR A 16 7.782 -6.275 0.700 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.229 -6.521 2.425 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.355 -4.362 1.361 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.661 -4.359 -0.392 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.092 -4.915 0.236 1.00 0.00 H new ATOM 213 N GLN A 17 4.320 -8.270 -0.667 1.00 0.00 N ATOM 214 CA GLN A 17 2.841 -8.412 -0.904 1.00 0.00 C ATOM 215 C GLN A 17 2.092 -8.371 0.427 1.00 0.00 C ATOM 216 O GLN A 17 2.575 -8.834 1.442 1.00 0.00 O ATOM 217 CB GLN A 17 2.553 -9.735 -1.617 1.00 0.00 C ATOM 218 CG GLN A 17 3.131 -9.694 -3.032 1.00 0.00 C ATOM 219 CD GLN A 17 3.050 -11.087 -3.658 1.00 0.00 C ATOM 220 OE1 GLN A 17 3.412 -12.126 -2.956 1.00 0.00 O flip ATOM 221 NE2 GLN A 17 2.653 -11.233 -4.797 1.00 0.00 N flip ATOM 0 H GLN A 17 4.766 -9.067 -0.212 1.00 0.00 H new ATOM 0 HA GLN A 17 2.503 -7.586 -1.529 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.990 -10.563 -1.059 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.478 -9.911 -1.658 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.579 -8.978 -3.641 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.167 -9.357 -3.003 1.00 0.00 H new ATOM 0 HE21 GLN A 17 2.370 -10.422 -5.346 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.603 -12.167 -5.204 1.00 0.00 H new ATOM 230 N VAL A 18 0.908 -7.804 0.422 1.00 0.00 N ATOM 231 CA VAL A 18 0.088 -7.698 1.668 1.00 0.00 C ATOM 232 C VAL A 18 -1.289 -8.313 1.405 1.00 0.00 C ATOM 233 O VAL A 18 -1.776 -8.304 0.293 1.00 0.00 O ATOM 234 CB VAL A 18 -0.092 -6.211 2.010 1.00 0.00 C ATOM 235 CG1 VAL A 18 -0.551 -6.059 3.464 1.00 0.00 C ATOM 236 CG2 VAL A 18 1.237 -5.481 1.820 1.00 0.00 C ATOM 0 H VAL A 18 0.470 -7.404 -0.408 1.00 0.00 H new ATOM 0 HA VAL A 18 0.580 -8.218 2.490 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.846 -5.782 1.350 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.676 -5.002 3.697 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.501 -6.576 3.602 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.197 -6.491 4.129 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.110 -4.426 2.062 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.989 -5.917 2.478 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.561 -5.579 0.784 1.00 0.00 H new ATOM 246 N THR A 19 -1.919 -8.833 2.427 1.00 0.00 N ATOM 247 CA THR A 19 -3.278 -9.443 2.269 1.00 0.00 C ATOM 248 C THR A 19 -4.235 -8.719 3.224 1.00 0.00 C ATOM 249 O THR A 19 -3.943 -8.552 4.392 1.00 0.00 O ATOM 250 CB THR A 19 -3.208 -10.935 2.616 1.00 0.00 C ATOM 251 OG1 THR A 19 -2.019 -11.488 2.070 1.00 0.00 O ATOM 252 CG2 THR A 19 -4.422 -11.661 2.032 1.00 0.00 C ATOM 0 H THR A 19 -1.547 -8.862 3.376 1.00 0.00 H new ATOM 0 HA THR A 19 -3.632 -9.342 1.243 1.00 0.00 H new ATOM 0 HB THR A 19 -3.206 -11.054 3.699 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.970 -12.441 2.291 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.367 -12.721 2.282 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.335 -11.237 2.449 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.430 -11.543 0.948 1.00 0.00 H new ATOM 260 N ILE A 20 -5.364 -8.274 2.729 1.00 0.00 N ATOM 261 CA ILE A 20 -6.353 -7.533 3.588 1.00 0.00 C ATOM 262 C ILE A 20 -7.736 -8.219 3.470 1.00 0.00 C ATOM 263 O ILE A 20 -8.151 -8.546 2.376 1.00 0.00 O ATOM 264 CB ILE A 20 -6.472 -6.071 3.063 1.00 0.00 C ATOM 265 CG1 ILE A 20 -5.980 -6.006 1.613 1.00 0.00 C ATOM 266 CG2 ILE A 20 -5.622 -5.122 3.918 1.00 0.00 C ATOM 267 CD1 ILE A 20 -6.365 -4.668 0.988 1.00 0.00 C ATOM 0 H ILE A 20 -5.649 -8.392 1.757 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.023 -7.536 4.627 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.517 -5.766 3.120 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.898 -6.133 1.582 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.413 -6.823 1.037 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.717 -4.105 3.537 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.967 -5.156 4.951 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.577 -5.430 3.874 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.011 -4.632 -0.042 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -7.449 -4.558 1.003 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.910 -3.857 1.556 1.00 0.00 H new ATOM 279 N PRO A 21 -8.474 -8.412 4.548 1.00 0.00 N ATOM 280 CA PRO A 21 -9.821 -9.035 4.424 1.00 0.00 C ATOM 281 C PRO A 21 -10.744 -8.186 3.529 1.00 0.00 C ATOM 282 O PRO A 21 -10.749 -6.974 3.603 1.00 0.00 O ATOM 283 CB PRO A 21 -10.322 -9.082 5.882 1.00 0.00 C ATOM 284 CG PRO A 21 -9.270 -8.406 6.785 1.00 0.00 C ATOM 285 CD PRO A 21 -8.040 -8.049 5.927 1.00 0.00 C ATOM 0 HA PRO A 21 -9.801 -10.019 3.955 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.281 -8.571 5.969 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.482 -10.114 6.194 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.685 -7.508 7.242 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.983 -9.074 7.597 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.787 -6.992 6.005 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.158 -8.611 6.233 1.00 0.00 H new ATOM 293 N LYS A 22 -11.493 -8.814 2.668 1.00 0.00 N ATOM 294 CA LYS A 22 -12.385 -8.048 1.747 1.00 0.00 C ATOM 295 C LYS A 22 -13.122 -6.921 2.487 1.00 0.00 C ATOM 296 O LYS A 22 -13.295 -5.841 1.960 1.00 0.00 O ATOM 297 CB LYS A 22 -13.402 -9.003 1.107 1.00 0.00 C ATOM 298 CG LYS A 22 -14.346 -9.572 2.168 1.00 0.00 C ATOM 299 CD LYS A 22 -15.236 -10.640 1.528 1.00 0.00 C ATOM 300 CE LYS A 22 -16.017 -11.387 2.612 1.00 0.00 C ATOM 301 NZ LYS A 22 -15.077 -11.895 3.651 1.00 0.00 N ATOM 0 H LYS A 22 -11.528 -9.828 2.560 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.766 -7.592 0.974 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -13.977 -8.475 0.346 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.879 -9.816 0.604 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.773 -10.003 2.989 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -14.959 -8.776 2.591 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -15.927 -10.176 0.825 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.625 -11.341 0.959 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -16.752 -10.723 3.067 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -16.568 -12.217 2.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -15.443 -12.786 4.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.144 -12.063 3.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.987 -11.192 4.412 1.00 0.00 H new ATOM 315 N ASP A 23 -13.589 -7.162 3.684 1.00 0.00 N ATOM 316 CA ASP A 23 -14.345 -6.097 4.412 1.00 0.00 C ATOM 317 C ASP A 23 -13.458 -4.878 4.700 1.00 0.00 C ATOM 318 O ASP A 23 -13.835 -3.743 4.444 1.00 0.00 O ATOM 319 CB ASP A 23 -14.895 -6.659 5.724 1.00 0.00 C ATOM 320 CG ASP A 23 -15.704 -5.577 6.442 1.00 0.00 C ATOM 321 OD1 ASP A 23 -16.653 -5.087 5.854 1.00 0.00 O ATOM 322 OD2 ASP A 23 -15.359 -5.256 7.568 1.00 0.00 O ATOM 0 H ASP A 23 -13.482 -8.043 4.187 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.169 -5.772 3.776 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -15.524 -7.527 5.525 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.076 -6.998 6.359 1.00 0.00 H new ATOM 327 N LEU A 24 -12.269 -5.082 5.192 1.00 0.00 N ATOM 328 CA LEU A 24 -11.368 -3.931 5.459 1.00 0.00 C ATOM 329 C LEU A 24 -10.803 -3.457 4.131 1.00 0.00 C ATOM 330 O LEU A 24 -10.315 -2.352 4.005 1.00 0.00 O ATOM 331 CB LEU A 24 -10.204 -4.367 6.360 1.00 0.00 C ATOM 332 CG LEU A 24 -10.725 -4.943 7.689 1.00 0.00 C ATOM 333 CD1 LEU A 24 -9.532 -5.303 8.603 1.00 0.00 C ATOM 334 CD2 LEU A 24 -11.631 -3.914 8.391 1.00 0.00 C ATOM 0 H LEU A 24 -11.883 -5.998 5.421 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.925 -3.137 5.956 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.601 -5.116 5.846 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.553 -3.515 6.558 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.306 -5.843 7.485 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.904 -5.710 9.543 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.906 -6.045 8.108 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.944 -4.407 8.803 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.995 -4.330 9.330 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.062 -3.006 8.593 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.478 -3.676 7.747 1.00 0.00 H new ATOM 346 N ALA A 25 -10.852 -4.300 3.136 1.00 0.00 N ATOM 347 CA ALA A 25 -10.307 -3.918 1.815 1.00 0.00 C ATOM 348 C ALA A 25 -11.129 -2.771 1.242 1.00 0.00 C ATOM 349 O ALA A 25 -10.614 -1.866 0.619 1.00 0.00 O ATOM 350 CB ALA A 25 -10.396 -5.116 0.871 1.00 0.00 C ATOM 0 H ALA A 25 -11.248 -5.238 3.187 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.268 -3.607 1.924 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.996 -4.841 -0.105 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.818 -5.945 1.280 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.438 -5.418 0.764 1.00 0.00 H new ATOM 356 N ARG A 26 -12.418 -2.810 1.457 1.00 0.00 N ATOM 357 CA ARG A 26 -13.285 -1.727 0.930 1.00 0.00 C ATOM 358 C ARG A 26 -13.075 -0.492 1.797 1.00 0.00 C ATOM 359 O ARG A 26 -13.239 0.625 1.348 1.00 0.00 O ATOM 360 CB ARG A 26 -14.757 -2.159 0.948 1.00 0.00 C ATOM 361 CG ARG A 26 -15.064 -3.012 -0.293 1.00 0.00 C ATOM 362 CD ARG A 26 -16.559 -3.390 -0.327 1.00 0.00 C ATOM 363 NE ARG A 26 -16.710 -4.796 -0.819 1.00 0.00 N ATOM 364 CZ ARG A 26 -16.089 -5.210 -1.893 1.00 0.00 C ATOM 365 NH1 ARG A 26 -15.449 -4.367 -2.656 1.00 0.00 N ATOM 366 NH2 ARG A 26 -16.152 -6.469 -2.232 1.00 0.00 N ATOM 0 H ARG A 26 -12.902 -3.544 1.973 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.023 -1.505 -0.104 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.967 -2.729 1.853 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -15.403 -1.281 0.966 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -14.801 -2.461 -1.196 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.454 -3.915 -0.282 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -16.992 -3.294 0.669 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -17.103 -2.706 -0.978 1.00 0.00 H new ATOM 0 HE ARG A 26 -17.309 -5.444 -0.307 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -15.430 -3.376 -2.417 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -14.968 -4.699 -3.492 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -16.684 -7.125 -1.660 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -15.669 -6.797 -3.069 1.00 0.00 H new ATOM 380 N SER A 27 -12.698 -0.673 3.034 1.00 0.00 N ATOM 381 CA SER A 27 -12.462 0.501 3.916 1.00 0.00 C ATOM 382 C SER A 27 -11.140 1.172 3.527 1.00 0.00 C ATOM 383 O SER A 27 -10.953 2.353 3.738 1.00 0.00 O ATOM 384 CB SER A 27 -12.381 0.030 5.369 1.00 0.00 C ATOM 385 OG SER A 27 -11.238 -0.800 5.531 1.00 0.00 O ATOM 0 H SER A 27 -12.544 -1.582 3.469 1.00 0.00 H new ATOM 0 HA SER A 27 -13.279 1.213 3.805 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.319 0.888 6.039 1.00 0.00 H new ATOM 0 HB3 SER A 27 -13.284 -0.519 5.636 1.00 0.00 H new ATOM 0 HG SER A 27 -11.021 -1.229 4.677 1.00 0.00 H new ATOM 391 N ILE A 28 -10.195 0.424 3.003 1.00 0.00 N ATOM 392 CA ILE A 28 -8.870 1.025 2.657 1.00 0.00 C ATOM 393 C ILE A 28 -8.874 1.594 1.235 1.00 0.00 C ATOM 394 O ILE A 28 -8.382 2.674 0.986 1.00 0.00 O ATOM 395 CB ILE A 28 -7.804 -0.065 2.751 1.00 0.00 C ATOM 396 CG1 ILE A 28 -7.701 -0.567 4.195 1.00 0.00 C ATOM 397 CG2 ILE A 28 -6.457 0.501 2.307 1.00 0.00 C ATOM 398 CD1 ILE A 28 -6.946 -1.899 4.222 1.00 0.00 C ATOM 0 H ILE A 28 -10.286 -0.572 2.802 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.661 1.838 3.352 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.080 -0.896 2.103 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.183 0.169 4.811 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.697 -0.693 4.619 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.696 -0.276 2.374 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.530 0.849 1.277 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.182 1.335 2.953 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.873 -2.255 5.250 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.482 -2.633 3.620 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.945 -1.758 3.815 1.00 0.00 H new ATOM 410 N ILE A 29 -9.400 0.855 0.300 1.00 0.00 N ATOM 411 CA ILE A 29 -9.398 1.347 -1.108 1.00 0.00 C ATOM 412 C ILE A 29 -10.294 2.580 -1.230 1.00 0.00 C ATOM 413 O ILE A 29 -10.022 3.472 -2.002 1.00 0.00 O ATOM 414 CB ILE A 29 -9.895 0.243 -2.050 1.00 0.00 C ATOM 415 CG1 ILE A 29 -9.043 -1.024 -1.868 1.00 0.00 C ATOM 416 CG2 ILE A 29 -9.780 0.719 -3.501 1.00 0.00 C ATOM 417 CD1 ILE A 29 -9.766 -2.217 -2.497 1.00 0.00 C ATOM 0 H ILE A 29 -9.828 -0.060 0.445 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.380 1.619 -1.387 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.935 0.018 -1.815 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.067 -0.889 -2.334 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.868 -1.209 -0.808 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.133 -0.065 -4.170 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.386 1.614 -3.639 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.739 0.948 -3.727 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -9.164 -3.116 -2.369 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.732 -2.355 -2.011 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.919 -2.031 -3.560 1.00 0.00 H new ATOM 429 N GLY A 30 -11.370 2.646 -0.498 1.00 0.00 N ATOM 430 CA GLY A 30 -12.272 3.831 -0.618 1.00 0.00 C ATOM 431 C GLY A 30 -13.280 3.552 -1.732 1.00 0.00 C ATOM 432 O GLY A 30 -13.324 2.467 -2.279 1.00 0.00 O ATOM 0 H GLY A 30 -11.665 1.938 0.174 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.788 4.013 0.325 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.694 4.727 -0.844 1.00 0.00 H new ATOM 436 N LYS A 31 -14.091 4.517 -2.083 1.00 0.00 N ATOM 437 CA LYS A 31 -15.092 4.292 -3.173 1.00 0.00 C ATOM 438 C LYS A 31 -14.491 4.717 -4.517 1.00 0.00 C ATOM 439 O LYS A 31 -15.092 4.545 -5.558 1.00 0.00 O ATOM 440 CB LYS A 31 -16.343 5.122 -2.888 1.00 0.00 C ATOM 441 CG LYS A 31 -17.472 4.710 -3.842 1.00 0.00 C ATOM 442 CD LYS A 31 -18.814 5.272 -3.343 1.00 0.00 C ATOM 443 CE LYS A 31 -18.673 6.756 -2.972 1.00 0.00 C ATOM 444 NZ LYS A 31 -20.029 7.353 -2.810 1.00 0.00 N ATOM 0 H LYS A 31 -14.105 5.447 -1.665 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.356 3.235 -3.214 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -16.658 4.978 -1.854 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -16.122 6.182 -3.009 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.264 5.080 -4.846 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -17.525 3.623 -3.908 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -19.574 5.155 -4.116 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -19.152 4.705 -2.476 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -18.105 6.859 -2.048 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -18.120 7.286 -3.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -19.938 8.358 -2.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -20.556 7.266 -3.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -20.541 6.852 -2.056 1.00 0.00 H new ATOM 458 N GLY A 32 -13.309 5.276 -4.504 1.00 0.00 N ATOM 459 CA GLY A 32 -12.670 5.720 -5.781 1.00 0.00 C ATOM 460 C GLY A 32 -11.151 5.576 -5.675 1.00 0.00 C ATOM 461 O GLY A 32 -10.415 6.160 -6.446 1.00 0.00 O ATOM 0 H GLY A 32 -12.757 5.445 -3.663 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.044 5.123 -6.613 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.933 6.757 -5.989 1.00 0.00 H new ATOM 465 N GLY A 33 -10.664 4.820 -4.730 1.00 0.00 N ATOM 466 CA GLY A 33 -9.186 4.676 -4.602 1.00 0.00 C ATOM 467 C GLY A 33 -8.621 5.932 -3.936 1.00 0.00 C ATOM 468 O GLY A 33 -7.449 5.995 -3.621 1.00 0.00 O ATOM 0 H GLY A 33 -11.217 4.301 -4.048 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.943 3.794 -4.010 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.735 4.535 -5.584 1.00 0.00 H new ATOM 472 N GLN A 34 -9.444 6.942 -3.760 1.00 0.00 N ATOM 473 CA GLN A 34 -8.979 8.234 -3.150 1.00 0.00 C ATOM 474 C GLN A 34 -7.897 7.990 -2.088 1.00 0.00 C ATOM 475 O GLN A 34 -7.052 8.835 -1.865 1.00 0.00 O ATOM 476 CB GLN A 34 -10.176 8.924 -2.482 1.00 0.00 C ATOM 477 CG GLN A 34 -10.873 7.960 -1.514 1.00 0.00 C ATOM 478 CD GLN A 34 -11.886 8.735 -0.669 1.00 0.00 C ATOM 479 OE1 GLN A 34 -13.022 8.904 -1.064 1.00 0.00 O ATOM 480 NE2 GLN A 34 -11.520 9.216 0.488 1.00 0.00 N ATOM 0 H GLN A 34 -10.431 6.926 -4.016 1.00 0.00 H new ATOM 0 HA GLN A 34 -8.558 8.857 -3.939 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -9.840 9.811 -1.944 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.881 9.260 -3.242 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.376 7.169 -2.070 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -10.137 7.479 -0.870 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -10.566 9.074 0.820 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -12.188 9.733 1.060 1.00 0.00 H new ATOM 489 N ARG A 35 -7.905 6.868 -1.416 1.00 0.00 N ATOM 490 CA ARG A 35 -6.858 6.638 -0.367 1.00 0.00 C ATOM 491 C ARG A 35 -5.601 6.055 -1.015 1.00 0.00 C ATOM 492 O ARG A 35 -4.494 6.419 -0.675 1.00 0.00 O ATOM 493 CB ARG A 35 -7.374 5.644 0.697 1.00 0.00 C ATOM 494 CG ARG A 35 -8.360 6.344 1.649 1.00 0.00 C ATOM 495 CD ARG A 35 -7.605 7.042 2.790 1.00 0.00 C ATOM 496 NE ARG A 35 -8.494 8.061 3.418 1.00 0.00 N ATOM 497 CZ ARG A 35 -8.184 8.569 4.579 1.00 0.00 C ATOM 498 NH1 ARG A 35 -7.091 8.195 5.186 1.00 0.00 N ATOM 499 NH2 ARG A 35 -8.966 9.456 5.132 1.00 0.00 N ATOM 0 H ARG A 35 -8.577 6.111 -1.542 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.628 7.592 0.108 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.865 4.801 0.210 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.535 5.240 1.264 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.951 7.074 1.097 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.058 5.614 2.060 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.289 6.310 3.534 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.702 7.517 2.407 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.344 8.361 2.940 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.478 7.505 4.753 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.850 8.593 6.094 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.819 9.751 4.656 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.724 9.854 6.040 1.00 0.00 H new ATOM 513 N ILE A 36 -5.756 5.151 -1.945 1.00 0.00 N ATOM 514 CA ILE A 36 -4.560 4.556 -2.597 1.00 0.00 C ATOM 515 C ILE A 36 -3.871 5.625 -3.462 1.00 0.00 C ATOM 516 O ILE A 36 -2.683 5.572 -3.698 1.00 0.00 O ATOM 517 CB ILE A 36 -4.992 3.315 -3.422 1.00 0.00 C ATOM 518 CG1 ILE A 36 -4.870 2.042 -2.557 1.00 0.00 C ATOM 519 CG2 ILE A 36 -4.141 3.162 -4.693 1.00 0.00 C ATOM 520 CD1 ILE A 36 -3.415 1.543 -2.504 1.00 0.00 C ATOM 0 H ILE A 36 -6.655 4.802 -2.278 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.838 4.220 -1.852 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.030 3.456 -3.724 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.223 2.250 -1.547 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.511 1.260 -2.964 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.470 2.283 -5.247 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.256 4.049 -5.317 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.093 3.046 -4.417 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.360 0.646 -1.888 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.073 1.312 -3.513 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.780 2.318 -2.074 1.00 0.00 H new ATOM 532 N LYS A 37 -4.611 6.594 -3.930 1.00 0.00 N ATOM 533 CA LYS A 37 -3.999 7.661 -4.772 1.00 0.00 C ATOM 534 C LYS A 37 -3.233 8.639 -3.878 1.00 0.00 C ATOM 535 O LYS A 37 -2.073 8.921 -4.106 1.00 0.00 O ATOM 536 CB LYS A 37 -5.100 8.413 -5.524 1.00 0.00 C ATOM 537 CG LYS A 37 -5.874 7.439 -6.415 1.00 0.00 C ATOM 538 CD LYS A 37 -7.036 8.174 -7.085 1.00 0.00 C ATOM 539 CE LYS A 37 -7.889 7.175 -7.870 1.00 0.00 C ATOM 540 NZ LYS A 37 -7.106 6.655 -9.026 1.00 0.00 N ATOM 0 H LYS A 37 -5.613 6.692 -3.765 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.313 7.209 -5.489 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.777 8.889 -4.815 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.663 9.207 -6.130 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.212 7.017 -7.171 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.251 6.607 -5.821 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.645 8.676 -6.333 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.655 8.946 -7.753 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.193 6.352 -7.223 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.801 7.657 -8.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.745 6.169 -9.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.639 7.446 -9.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.387 5.986 -8.685 1.00 0.00 H new ATOM 554 N GLN A 38 -3.867 9.166 -2.866 1.00 0.00 N ATOM 555 CA GLN A 38 -3.159 10.128 -1.973 1.00 0.00 C ATOM 556 C GLN A 38 -1.961 9.434 -1.323 1.00 0.00 C ATOM 557 O GLN A 38 -0.863 9.956 -1.305 1.00 0.00 O ATOM 558 CB GLN A 38 -4.116 10.622 -0.887 1.00 0.00 C ATOM 559 CG GLN A 38 -3.441 11.737 -0.086 1.00 0.00 C ATOM 560 CD GLN A 38 -4.442 12.335 0.904 1.00 0.00 C ATOM 561 OE1 GLN A 38 -5.565 12.633 0.547 1.00 0.00 O ATOM 562 NE2 GLN A 38 -4.079 12.526 2.143 1.00 0.00 N ATOM 0 H GLN A 38 -4.838 8.974 -2.620 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.812 10.978 -2.560 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.038 10.990 -1.338 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.391 9.799 -0.227 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.577 11.343 0.448 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.073 12.511 -0.759 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.137 12.276 2.443 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.738 12.925 2.812 1.00 0.00 H new ATOM 571 N ILE A 39 -2.161 8.262 -0.789 1.00 0.00 N ATOM 572 CA ILE A 39 -1.036 7.533 -0.141 1.00 0.00 C ATOM 573 C ILE A 39 0.099 7.343 -1.153 1.00 0.00 C ATOM 574 O ILE A 39 1.264 7.389 -0.811 1.00 0.00 O ATOM 575 CB ILE A 39 -1.532 6.167 0.342 1.00 0.00 C ATOM 576 CG1 ILE A 39 -2.569 6.368 1.458 1.00 0.00 C ATOM 577 CG2 ILE A 39 -0.352 5.354 0.877 1.00 0.00 C ATOM 578 CD1 ILE A 39 -3.363 5.074 1.678 1.00 0.00 C ATOM 0 H ILE A 39 -3.058 7.776 -0.773 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.667 8.107 0.709 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.991 5.631 -0.488 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.069 6.659 2.382 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.247 7.180 1.194 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.706 4.382 1.221 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.382 5.213 0.084 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.110 5.887 1.708 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.095 5.227 2.471 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.877 4.802 0.756 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.681 4.273 1.963 1.00 0.00 H new ATOM 590 N ARG A 40 -0.237 7.121 -2.394 1.00 0.00 N ATOM 591 CA ARG A 40 0.815 6.917 -3.435 1.00 0.00 C ATOM 592 C ARG A 40 1.777 8.110 -3.458 1.00 0.00 C ATOM 593 O ARG A 40 2.943 7.985 -3.138 1.00 0.00 O ATOM 594 CB ARG A 40 0.155 6.786 -4.811 1.00 0.00 C ATOM 595 CG ARG A 40 1.194 6.321 -5.836 1.00 0.00 C ATOM 596 CD ARG A 40 0.501 5.990 -7.162 1.00 0.00 C ATOM 597 NE ARG A 40 1.469 5.319 -8.074 1.00 0.00 N ATOM 598 CZ ARG A 40 1.039 4.690 -9.134 1.00 0.00 C ATOM 599 NH1 ARG A 40 -0.239 4.651 -9.396 1.00 0.00 N ATOM 600 NH2 ARG A 40 1.887 4.102 -9.933 1.00 0.00 N ATOM 0 H ARG A 40 -1.197 7.072 -2.735 1.00 0.00 H new ATOM 0 HA ARG A 40 1.370 6.009 -3.198 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.669 6.074 -4.764 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.268 7.743 -5.115 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.941 7.100 -5.990 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.721 5.444 -5.461 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.357 5.342 -6.984 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.122 6.902 -7.624 1.00 0.00 H new ATOM 0 HE ARG A 40 2.468 5.351 -7.870 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.902 5.112 -8.773 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.575 4.160 -10.224 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.886 4.134 -9.729 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.551 3.611 -10.761 1.00 0.00 H new ATOM 614 N HIS A 41 1.303 9.258 -3.856 1.00 0.00 N ATOM 615 CA HIS A 41 2.193 10.453 -3.927 1.00 0.00 C ATOM 616 C HIS A 41 2.775 10.767 -2.545 1.00 0.00 C ATOM 617 O HIS A 41 3.928 11.132 -2.417 1.00 0.00 O ATOM 618 CB HIS A 41 1.387 11.655 -4.425 1.00 0.00 C ATOM 619 CG HIS A 41 2.299 12.840 -4.584 1.00 0.00 C ATOM 620 ND1 HIS A 41 2.290 13.904 -3.696 1.00 0.00 N ATOM 621 CD2 HIS A 41 3.252 13.145 -5.525 1.00 0.00 C ATOM 622 CE1 HIS A 41 3.211 14.791 -4.116 1.00 0.00 C ATOM 623 NE2 HIS A 41 3.825 14.378 -5.227 1.00 0.00 N ATOM 0 H HIS A 41 0.336 9.421 -4.136 1.00 0.00 H new ATOM 0 HA HIS A 41 3.012 10.244 -4.615 1.00 0.00 H new ATOM 0 HB2 HIS A 41 0.912 11.418 -5.377 1.00 0.00 H new ATOM 0 HB3 HIS A 41 0.589 11.889 -3.720 1.00 0.00 H new ATOM 0 HD2 HIS A 41 3.516 12.523 -6.367 1.00 0.00 H new ATOM 0 HE1 HIS A 41 3.427 15.723 -3.615 1.00 0.00 H new ATOM 0 HE2 HIS A 41 4.557 14.862 -5.746 1.00 0.00 H new ATOM 631 N GLU A 42 1.990 10.640 -1.511 1.00 0.00 N ATOM 632 CA GLU A 42 2.501 10.945 -0.143 1.00 0.00 C ATOM 633 C GLU A 42 3.714 10.065 0.175 1.00 0.00 C ATOM 634 O GLU A 42 4.713 10.536 0.681 1.00 0.00 O ATOM 635 CB GLU A 42 1.392 10.699 0.887 1.00 0.00 C ATOM 636 CG GLU A 42 1.722 11.421 2.199 1.00 0.00 C ATOM 637 CD GLU A 42 2.948 10.775 2.847 1.00 0.00 C ATOM 638 OE1 GLU A 42 3.057 9.561 2.782 1.00 0.00 O ATOM 639 OE2 GLU A 42 3.757 11.504 3.395 1.00 0.00 O ATOM 0 H GLU A 42 1.017 10.338 -1.553 1.00 0.00 H new ATOM 0 HA GLU A 42 2.806 11.991 -0.101 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.438 11.054 0.497 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.284 9.630 1.068 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.914 12.477 2.006 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.871 11.370 2.878 1.00 0.00 H new ATOM 646 N SER A 43 3.637 8.791 -0.103 1.00 0.00 N ATOM 647 CA SER A 43 4.790 7.891 0.206 1.00 0.00 C ATOM 648 C SER A 43 5.783 7.889 -0.960 1.00 0.00 C ATOM 649 O SER A 43 6.939 7.554 -0.797 1.00 0.00 O ATOM 650 CB SER A 43 4.278 6.470 0.443 1.00 0.00 C ATOM 651 OG SER A 43 3.945 5.877 -0.805 1.00 0.00 O ATOM 0 H SER A 43 2.830 8.335 -0.529 1.00 0.00 H new ATOM 0 HA SER A 43 5.294 8.253 1.102 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.039 5.876 0.949 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.404 6.490 1.094 1.00 0.00 H new ATOM 0 HG SER A 43 3.070 6.206 -1.100 1.00 0.00 H new ATOM 657 N GLY A 44 5.343 8.242 -2.136 1.00 0.00 N ATOM 658 CA GLY A 44 6.269 8.233 -3.303 1.00 0.00 C ATOM 659 C GLY A 44 6.437 6.788 -3.767 1.00 0.00 C ATOM 660 O GLY A 44 7.148 6.495 -4.707 1.00 0.00 O ATOM 0 H GLY A 44 4.387 8.535 -2.339 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.870 8.847 -4.110 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.234 8.658 -3.026 1.00 0.00 H new ATOM 664 N ALA A 45 5.778 5.884 -3.098 1.00 0.00 N ATOM 665 CA ALA A 45 5.872 4.446 -3.462 1.00 0.00 C ATOM 666 C ALA A 45 4.890 4.126 -4.589 1.00 0.00 C ATOM 667 O ALA A 45 3.920 4.824 -4.805 1.00 0.00 O ATOM 668 CB ALA A 45 5.518 3.599 -2.238 1.00 0.00 C ATOM 0 H ALA A 45 5.170 6.085 -2.304 1.00 0.00 H new ATOM 0 HA ALA A 45 6.886 4.225 -3.795 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.584 2.542 -2.496 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.214 3.820 -1.429 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.503 3.831 -1.916 1.00 0.00 H new ATOM 674 N SER A 46 5.119 3.034 -5.267 1.00 0.00 N ATOM 675 CA SER A 46 4.193 2.590 -6.350 1.00 0.00 C ATOM 676 C SER A 46 3.434 1.387 -5.798 1.00 0.00 C ATOM 677 O SER A 46 3.997 0.590 -5.074 1.00 0.00 O ATOM 678 CB SER A 46 4.997 2.172 -7.583 1.00 0.00 C ATOM 679 OG SER A 46 4.123 1.578 -8.534 1.00 0.00 O ATOM 0 H SER A 46 5.920 2.421 -5.114 1.00 0.00 H new ATOM 0 HA SER A 46 3.514 3.390 -6.645 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.493 3.039 -8.019 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.779 1.467 -7.300 1.00 0.00 H new ATOM 0 HG SER A 46 4.634 1.311 -9.326 1.00 0.00 H new ATOM 685 N ILE A 47 2.166 1.243 -6.091 1.00 0.00 N ATOM 686 CA ILE A 47 1.390 0.089 -5.539 1.00 0.00 C ATOM 687 C ILE A 47 0.481 -0.498 -6.618 1.00 0.00 C ATOM 688 O ILE A 47 -0.175 0.218 -7.348 1.00 0.00 O ATOM 689 CB ILE A 47 0.526 0.573 -4.361 1.00 0.00 C ATOM 690 CG1 ILE A 47 1.435 0.996 -3.200 1.00 0.00 C ATOM 691 CG2 ILE A 47 -0.404 -0.557 -3.891 1.00 0.00 C ATOM 692 CD1 ILE A 47 0.601 1.684 -2.117 1.00 0.00 C ATOM 0 H ILE A 47 1.634 1.875 -6.689 1.00 0.00 H new ATOM 0 HA ILE A 47 2.087 -0.678 -5.201 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.076 1.421 -4.687 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.940 0.124 -2.785 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.210 1.672 -3.560 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.011 -0.205 -3.057 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.054 -0.858 -4.712 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.194 -1.410 -3.570 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.250 1.983 -1.294 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.116 2.566 -2.536 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.158 0.994 -1.749 1.00 0.00 H new ATOM 704 N LYS A 48 0.435 -1.799 -6.717 1.00 0.00 N ATOM 705 CA LYS A 48 -0.423 -2.477 -7.733 1.00 0.00 C ATOM 706 C LYS A 48 -1.400 -3.380 -6.984 1.00 0.00 C ATOM 707 O LYS A 48 -1.005 -4.141 -6.124 1.00 0.00 O ATOM 708 CB LYS A 48 0.474 -3.324 -8.644 1.00 0.00 C ATOM 709 CG LYS A 48 -0.374 -4.080 -9.683 1.00 0.00 C ATOM 710 CD LYS A 48 0.530 -4.970 -10.568 1.00 0.00 C ATOM 711 CE LYS A 48 0.614 -6.393 -9.994 1.00 0.00 C ATOM 712 NZ LYS A 48 0.738 -6.337 -8.511 1.00 0.00 N ATOM 0 H LYS A 48 0.968 -2.435 -6.123 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.968 -1.753 -8.339 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.196 -2.684 -9.151 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.044 -4.034 -8.045 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.118 -4.695 -9.177 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.918 -3.369 -10.305 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.135 -5.004 -11.583 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.528 -4.537 -10.629 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.275 -6.959 -10.272 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.471 -6.916 -10.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.845 -7.301 -8.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.571 -5.770 -8.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.116 -5.901 -8.107 1.00 0.00 H new ATOM 726 N ILE A 49 -2.670 -3.308 -7.288 1.00 0.00 N ATOM 727 CA ILE A 49 -3.674 -4.160 -6.585 1.00 0.00 C ATOM 728 C ILE A 49 -4.028 -5.344 -7.487 1.00 0.00 C ATOM 729 O ILE A 49 -4.272 -5.181 -8.666 1.00 0.00 O ATOM 730 CB ILE A 49 -4.920 -3.312 -6.307 1.00 0.00 C ATOM 731 CG1 ILE A 49 -4.516 -2.095 -5.467 1.00 0.00 C ATOM 732 CG2 ILE A 49 -5.955 -4.137 -5.541 1.00 0.00 C ATOM 733 CD1 ILE A 49 -5.667 -1.091 -5.420 1.00 0.00 C ATOM 0 H ILE A 49 -3.058 -2.689 -8.000 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.275 -4.535 -5.643 1.00 0.00 H new ATOM 0 HB ILE A 49 -5.355 -2.986 -7.252 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.255 -2.410 -4.457 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.630 -1.626 -5.894 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.837 -3.526 -5.348 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.239 -5.006 -6.134 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.528 -4.467 -4.594 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.373 -0.229 -4.822 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.907 -0.765 -6.432 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.542 -1.562 -4.973 1.00 0.00 H new ATOM 745 N ASP A 50 -4.065 -6.534 -6.948 1.00 0.00 N ATOM 746 CA ASP A 50 -4.410 -7.728 -7.777 1.00 0.00 C ATOM 747 C ASP A 50 -5.903 -8.010 -7.627 1.00 0.00 C ATOM 748 O ASP A 50 -6.489 -7.739 -6.597 1.00 0.00 O ATOM 749 CB ASP A 50 -3.613 -8.935 -7.276 1.00 0.00 C ATOM 750 CG ASP A 50 -2.121 -8.688 -7.498 1.00 0.00 C ATOM 751 OD1 ASP A 50 -1.505 -8.085 -6.634 1.00 0.00 O ATOM 752 OD2 ASP A 50 -1.618 -9.105 -8.528 1.00 0.00 O ATOM 0 H ASP A 50 -3.871 -6.732 -5.966 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.168 -7.542 -8.824 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.811 -9.101 -6.217 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.926 -9.836 -7.804 1.00 0.00 H new ATOM 757 N GLU A 51 -6.528 -8.567 -8.626 1.00 0.00 N ATOM 758 CA GLU A 51 -7.977 -8.876 -8.508 1.00 0.00 C ATOM 759 C GLU A 51 -8.155 -9.976 -7.448 1.00 0.00 C ATOM 760 O GLU A 51 -7.281 -10.802 -7.278 1.00 0.00 O ATOM 761 CB GLU A 51 -8.485 -9.391 -9.857 1.00 0.00 C ATOM 762 CG GLU A 51 -8.517 -8.239 -10.865 1.00 0.00 C ATOM 763 CD GLU A 51 -9.631 -7.260 -10.489 1.00 0.00 C ATOM 764 OE1 GLU A 51 -10.750 -7.710 -10.303 1.00 0.00 O ATOM 765 OE2 GLU A 51 -9.347 -6.078 -10.395 1.00 0.00 O ATOM 0 H GLU A 51 -6.099 -8.820 -9.516 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.534 -7.984 -8.221 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.837 -10.189 -10.221 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.482 -9.817 -9.744 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.556 -7.725 -10.876 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.683 -8.626 -11.870 1.00 0.00 H new ATOM 772 N PRO A 52 -9.263 -10.014 -6.741 1.00 0.00 N ATOM 773 CA PRO A 52 -9.464 -11.078 -5.716 1.00 0.00 C ATOM 774 C PRO A 52 -9.469 -12.477 -6.352 1.00 0.00 C ATOM 775 O PRO A 52 -9.994 -12.676 -7.428 1.00 0.00 O ATOM 776 CB PRO A 52 -10.841 -10.716 -5.122 1.00 0.00 C ATOM 777 CG PRO A 52 -11.480 -9.640 -6.021 1.00 0.00 C ATOM 778 CD PRO A 52 -10.375 -9.033 -6.899 1.00 0.00 C ATOM 0 HA PRO A 52 -8.671 -11.118 -4.969 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.479 -11.599 -5.072 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.731 -10.345 -4.103 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.262 -10.078 -6.642 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.951 -8.867 -5.413 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.688 -8.939 -7.939 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.089 -8.037 -6.561 1.00 0.00 H new ATOM 853 N ASP A 58 -10.459 -12.506 0.321 1.00 0.00 N ATOM 854 CA ASP A 58 -9.388 -11.526 0.673 1.00 0.00 C ATOM 855 C ASP A 58 -8.835 -10.852 -0.587 1.00 0.00 C ATOM 856 O ASP A 58 -8.911 -11.373 -1.682 1.00 0.00 O ATOM 857 CB ASP A 58 -8.255 -12.271 1.382 1.00 0.00 C ATOM 858 CG ASP A 58 -8.831 -13.098 2.532 1.00 0.00 C ATOM 859 OD1 ASP A 58 -9.658 -12.570 3.259 1.00 0.00 O ATOM 860 OD2 ASP A 58 -8.436 -14.244 2.668 1.00 0.00 O ATOM 0 HA ASP A 58 -9.808 -10.758 1.323 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.735 -12.920 0.677 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.521 -11.561 1.762 1.00 0.00 H new ATOM 865 N ARG A 59 -8.250 -9.695 -0.406 1.00 0.00 N ATOM 866 CA ARG A 59 -7.637 -8.932 -1.538 1.00 0.00 C ATOM 867 C ARG A 59 -6.135 -8.817 -1.276 1.00 0.00 C ATOM 868 O ARG A 59 -5.709 -8.643 -0.153 1.00 0.00 O ATOM 869 CB ARG A 59 -8.245 -7.525 -1.603 1.00 0.00 C ATOM 870 CG ARG A 59 -9.700 -7.600 -2.133 1.00 0.00 C ATOM 871 CD ARG A 59 -10.153 -6.251 -2.744 1.00 0.00 C ATOM 872 NE ARG A 59 -11.562 -5.956 -2.326 1.00 0.00 N ATOM 873 CZ ARG A 59 -12.501 -6.865 -2.410 1.00 0.00 C ATOM 874 NH1 ARG A 59 -12.269 -8.007 -2.994 1.00 0.00 N ATOM 875 NH2 ARG A 59 -13.692 -6.607 -1.944 1.00 0.00 N ATOM 0 H ARG A 59 -8.170 -9.236 0.501 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.825 -9.446 -2.481 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -8.233 -7.069 -0.613 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.644 -6.890 -2.254 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.774 -8.385 -2.886 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.371 -7.875 -1.319 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.490 -5.451 -2.415 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.087 -6.292 -3.831 1.00 0.00 H new ATOM 0 HE ARG A 59 -11.794 -5.029 -1.969 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -11.349 -8.199 -3.391 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -13.007 -8.708 -3.054 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -13.888 -5.701 -1.517 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -14.428 -7.311 -2.006 1.00 0.00 H new ATOM 889 N ILE A 60 -5.324 -8.944 -2.301 1.00 0.00 N ATOM 890 CA ILE A 60 -3.837 -8.874 -2.109 1.00 0.00 C ATOM 891 C ILE A 60 -3.265 -7.607 -2.758 1.00 0.00 C ATOM 892 O ILE A 60 -3.693 -7.188 -3.815 1.00 0.00 O ATOM 893 CB ILE A 60 -3.217 -10.122 -2.733 1.00 0.00 C ATOM 894 CG1 ILE A 60 -3.602 -11.330 -1.871 1.00 0.00 C ATOM 895 CG2 ILE A 60 -1.692 -9.987 -2.767 1.00 0.00 C ATOM 896 CD1 ILE A 60 -3.314 -12.614 -2.633 1.00 0.00 C ATOM 0 H ILE A 60 -5.627 -9.093 -3.263 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.602 -8.832 -1.045 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.581 -10.248 -3.753 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.041 -11.316 -0.937 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.659 -11.280 -1.609 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.257 -10.881 -3.214 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.417 -9.115 -3.360 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.314 -9.868 -1.751 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.588 -13.471 -2.018 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.895 -12.628 -3.555 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.252 -12.665 -2.873 1.00 0.00 H new ATOM 908 N ILE A 61 -2.301 -6.997 -2.116 1.00 0.00 N ATOM 909 CA ILE A 61 -1.682 -5.747 -2.663 1.00 0.00 C ATOM 910 C ILE A 61 -0.166 -5.908 -2.780 1.00 0.00 C ATOM 911 O ILE A 61 0.463 -6.543 -1.961 1.00 0.00 O ATOM 912 CB ILE A 61 -1.982 -4.581 -1.718 1.00 0.00 C ATOM 913 CG1 ILE A 61 -3.481 -4.284 -1.753 1.00 0.00 C ATOM 914 CG2 ILE A 61 -1.209 -3.337 -2.169 1.00 0.00 C ATOM 915 CD1 ILE A 61 -3.840 -3.307 -0.632 1.00 0.00 C ATOM 0 H ILE A 61 -1.912 -7.313 -1.228 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.099 -5.553 -3.651 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.678 -4.846 -0.705 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.755 -3.860 -2.719 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.047 -5.208 -1.638 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.426 -2.509 -1.494 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.140 -3.548 -2.154 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.511 -3.068 -3.181 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.909 -3.098 -0.660 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.582 -3.747 0.331 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.285 -2.379 -0.767 1.00 0.00 H new ATOM 927 N THR A 62 0.421 -5.327 -3.802 1.00 0.00 N ATOM 928 CA THR A 62 1.903 -5.428 -3.998 1.00 0.00 C ATOM 929 C THR A 62 2.519 -4.029 -3.920 1.00 0.00 C ATOM 930 O THR A 62 2.156 -3.139 -4.665 1.00 0.00 O ATOM 931 CB THR A 62 2.188 -6.040 -5.375 1.00 0.00 C ATOM 932 OG1 THR A 62 1.547 -7.304 -5.468 1.00 0.00 O ATOM 933 CG2 THR A 62 3.695 -6.219 -5.554 1.00 0.00 C ATOM 0 H THR A 62 -0.068 -4.783 -4.513 1.00 0.00 H new ATOM 0 HA THR A 62 2.337 -6.059 -3.222 1.00 0.00 H new ATOM 0 HB THR A 62 1.808 -5.378 -6.153 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.726 -7.697 -6.348 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.896 -6.654 -6.533 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.188 -5.250 -5.480 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.078 -6.881 -4.777 1.00 0.00 H new ATOM 941 N ILE A 63 3.448 -3.821 -3.018 1.00 0.00 N ATOM 942 CA ILE A 63 4.098 -2.482 -2.871 1.00 0.00 C ATOM 943 C ILE A 63 5.490 -2.518 -3.504 1.00 0.00 C ATOM 944 O ILE A 63 6.254 -3.427 -3.246 1.00 0.00 O ATOM 945 CB ILE A 63 4.256 -2.171 -1.380 1.00 0.00 C ATOM 946 CG1 ILE A 63 2.917 -2.409 -0.673 1.00 0.00 C ATOM 947 CG2 ILE A 63 4.686 -0.708 -1.209 1.00 0.00 C ATOM 948 CD1 ILE A 63 3.008 -1.937 0.779 1.00 0.00 C ATOM 0 H ILE A 63 3.787 -4.532 -2.370 1.00 0.00 H new ATOM 0 HA ILE A 63 3.485 -1.724 -3.360 1.00 0.00 H new ATOM 0 HB ILE A 63 5.015 -2.820 -0.943 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.122 -1.873 -1.190 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.661 -3.468 -0.706 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.799 -0.484 -0.148 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.636 -0.546 -1.718 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.928 -0.053 -1.639 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.054 -2.108 1.278 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.791 -2.493 1.294 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.244 -0.873 0.802 1.00 0.00 H new ATOM 960 N THR A 64 5.843 -1.545 -4.310 1.00 0.00 N ATOM 961 CA THR A 64 7.215 -1.542 -4.929 1.00 0.00 C ATOM 962 C THR A 64 7.858 -0.174 -4.706 1.00 0.00 C ATOM 963 O THR A 64 7.259 0.850 -4.965 1.00 0.00 O ATOM 964 CB THR A 64 7.105 -1.823 -6.430 1.00 0.00 C ATOM 965 OG1 THR A 64 6.325 -2.992 -6.636 1.00 0.00 O ATOM 966 CG2 THR A 64 8.502 -2.028 -7.016 1.00 0.00 C ATOM 0 H THR A 64 5.249 -0.757 -4.567 1.00 0.00 H new ATOM 0 HA THR A 64 7.828 -2.316 -4.468 1.00 0.00 H new ATOM 0 HB THR A 64 6.628 -0.977 -6.924 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.253 -3.172 -7.597 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.423 -2.228 -8.085 1.00 0.00 H new ATOM 0 HG22 THR A 64 9.098 -1.129 -6.858 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.983 -2.873 -6.523 1.00 0.00 H new ATOM 974 N GLY A 65 9.072 -0.140 -4.216 1.00 0.00 N ATOM 975 CA GLY A 65 9.754 1.158 -3.960 1.00 0.00 C ATOM 976 C GLY A 65 10.934 0.919 -3.009 1.00 0.00 C ATOM 977 O GLY A 65 11.253 -0.206 -2.678 1.00 0.00 O ATOM 0 H GLY A 65 9.622 -0.966 -3.981 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.106 1.590 -4.897 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.055 1.871 -3.522 1.00 0.00 H new ATOM 981 N THR A 66 11.581 1.960 -2.562 1.00 0.00 N ATOM 982 CA THR A 66 12.735 1.773 -1.630 1.00 0.00 C ATOM 983 C THR A 66 12.218 1.373 -0.242 1.00 0.00 C ATOM 984 O THR A 66 11.066 1.571 0.089 1.00 0.00 O ATOM 985 CB THR A 66 13.537 3.072 -1.529 1.00 0.00 C ATOM 986 OG1 THR A 66 12.652 4.157 -1.291 1.00 0.00 O ATOM 987 CG2 THR A 66 14.294 3.304 -2.836 1.00 0.00 C ATOM 0 H THR A 66 11.364 2.928 -2.799 1.00 0.00 H new ATOM 0 HA THR A 66 13.382 0.984 -2.014 1.00 0.00 H new ATOM 0 HB THR A 66 14.248 2.999 -0.706 1.00 0.00 H new ATOM 0 HG1 THR A 66 12.912 4.616 -0.465 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.866 4.229 -2.766 1.00 0.00 H new ATOM 0 HG22 THR A 66 14.973 2.470 -3.016 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.584 3.378 -3.660 1.00 0.00 H new ATOM 995 N GLN A 67 13.076 0.798 0.562 1.00 0.00 N ATOM 996 CA GLN A 67 12.670 0.358 1.931 1.00 0.00 C ATOM 997 C GLN A 67 11.893 1.472 2.635 1.00 0.00 C ATOM 998 O GLN A 67 10.858 1.240 3.230 1.00 0.00 O ATOM 999 CB GLN A 67 13.929 0.020 2.749 1.00 0.00 C ATOM 1000 CG GLN A 67 13.574 -0.945 3.885 1.00 0.00 C ATOM 1001 CD GLN A 67 12.539 -0.297 4.806 1.00 0.00 C ATOM 1002 OE1 GLN A 67 11.311 -0.737 4.798 1.00 0.00 O flip ATOM 1003 NE2 GLN A 67 12.851 0.619 5.541 1.00 0.00 N flip ATOM 0 H GLN A 67 14.051 0.613 0.325 1.00 0.00 H new ATOM 0 HA GLN A 67 12.032 -0.522 1.848 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.683 -0.429 2.102 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.362 0.933 3.158 1.00 0.00 H new ATOM 0 HG2 GLN A 67 13.179 -1.875 3.475 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.470 -1.201 4.451 1.00 0.00 H new ATOM 0 HE21 GLN A 67 13.811 0.963 5.548 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.153 1.044 6.151 1.00 0.00 H new ATOM 1012 N ASP A 68 12.390 2.674 2.588 1.00 0.00 N ATOM 1013 CA ASP A 68 11.687 3.794 3.269 1.00 0.00 C ATOM 1014 C ASP A 68 10.368 4.087 2.559 1.00 0.00 C ATOM 1015 O ASP A 68 9.340 4.237 3.190 1.00 0.00 O ATOM 1016 CB ASP A 68 12.570 5.043 3.249 1.00 0.00 C ATOM 1017 CG ASP A 68 12.947 5.381 1.805 1.00 0.00 C ATOM 1018 OD1 ASP A 68 13.730 4.642 1.229 1.00 0.00 O ATOM 1019 OD2 ASP A 68 12.447 6.372 1.299 1.00 0.00 O ATOM 0 H ASP A 68 13.253 2.930 2.108 1.00 0.00 H new ATOM 0 HA ASP A 68 11.482 3.512 4.302 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.042 5.881 3.704 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.470 4.874 3.841 1.00 0.00 H new ATOM 1024 N GLN A 69 10.374 4.183 1.258 1.00 0.00 N ATOM 1025 CA GLN A 69 9.106 4.479 0.543 1.00 0.00 C ATOM 1026 C GLN A 69 8.074 3.398 0.879 1.00 0.00 C ATOM 1027 O GLN A 69 6.899 3.666 1.031 1.00 0.00 O ATOM 1028 CB GLN A 69 9.357 4.499 -0.966 1.00 0.00 C ATOM 1029 CG GLN A 69 10.111 5.775 -1.342 1.00 0.00 C ATOM 1030 CD GLN A 69 10.397 5.775 -2.845 1.00 0.00 C ATOM 1031 OE1 GLN A 69 10.523 4.639 -3.472 1.00 0.00 O flip ATOM 1032 NE2 GLN A 69 10.508 6.821 -3.453 1.00 0.00 N flip ATOM 0 H GLN A 69 11.196 4.070 0.665 1.00 0.00 H new ATOM 0 HA GLN A 69 8.730 5.453 0.855 1.00 0.00 H new ATOM 0 HB2 GLN A 69 9.934 3.623 -1.261 1.00 0.00 H new ATOM 0 HB3 GLN A 69 8.410 4.452 -1.503 1.00 0.00 H new ATOM 0 HG2 GLN A 69 9.521 6.651 -1.073 1.00 0.00 H new ATOM 0 HG3 GLN A 69 11.045 5.836 -0.783 1.00 0.00 H new ATOM 0 HE21 GLN A 69 10.409 7.709 -2.962 1.00 0.00 H new ATOM 0 HE22 GLN A 69 10.700 6.811 -4.455 1.00 0.00 H new ATOM 1041 N ILE A 70 8.519 2.173 0.996 1.00 0.00 N ATOM 1042 CA ILE A 70 7.593 1.052 1.325 1.00 0.00 C ATOM 1043 C ILE A 70 7.113 1.167 2.774 1.00 0.00 C ATOM 1044 O ILE A 70 5.940 1.025 3.053 1.00 0.00 O ATOM 1045 CB ILE A 70 8.333 -0.285 1.141 1.00 0.00 C ATOM 1046 CG1 ILE A 70 8.570 -0.535 -0.351 1.00 0.00 C ATOM 1047 CG2 ILE A 70 7.496 -1.433 1.722 1.00 0.00 C ATOM 1048 CD1 ILE A 70 9.517 -1.725 -0.530 1.00 0.00 C ATOM 0 H ILE A 70 9.495 1.901 0.876 1.00 0.00 H new ATOM 0 HA ILE A 70 6.730 1.098 0.661 1.00 0.00 H new ATOM 0 HB ILE A 70 9.289 -0.238 1.663 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.622 -0.733 -0.852 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.996 0.354 -0.816 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.027 -2.375 1.587 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.329 -1.260 2.785 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.537 -1.481 1.207 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.684 -1.901 -1.593 1.00 0.00 H new ATOM 0 HD12 ILE A 70 10.469 -1.509 -0.044 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.074 -2.614 -0.081 1.00 0.00 H new ATOM 1060 N GLN A 71 7.997 1.423 3.704 1.00 0.00 N ATOM 1061 CA GLN A 71 7.575 1.546 5.127 1.00 0.00 C ATOM 1062 C GLN A 71 6.563 2.683 5.263 1.00 0.00 C ATOM 1063 O GLN A 71 5.560 2.554 5.937 1.00 0.00 O ATOM 1064 CB GLN A 71 8.802 1.850 5.989 1.00 0.00 C ATOM 1065 CG GLN A 71 8.402 1.865 7.465 1.00 0.00 C ATOM 1066 CD GLN A 71 9.651 2.034 8.331 1.00 0.00 C ATOM 1067 OE1 GLN A 71 10.677 2.683 7.853 1.00 0.00 O flip ATOM 1068 NE2 GLN A 71 9.694 1.572 9.454 1.00 0.00 N flip ATOM 0 H GLN A 71 8.995 1.552 3.536 1.00 0.00 H new ATOM 0 HA GLN A 71 7.116 0.613 5.456 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.574 1.099 5.819 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.227 2.813 5.707 1.00 0.00 H new ATOM 0 HG2 GLN A 71 7.702 2.679 7.655 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.890 0.938 7.723 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.892 1.065 9.828 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.532 1.692 10.023 1.00 0.00 H new ATOM 1077 N ASN A 72 6.811 3.795 4.626 1.00 0.00 N ATOM 1078 CA ASN A 72 5.855 4.931 4.722 1.00 0.00 C ATOM 1079 C ASN A 72 4.511 4.491 4.148 1.00 0.00 C ATOM 1080 O ASN A 72 3.462 4.915 4.591 1.00 0.00 O ATOM 1081 CB ASN A 72 6.388 6.123 3.924 1.00 0.00 C ATOM 1082 CG ASN A 72 5.529 7.356 4.210 1.00 0.00 C ATOM 1083 OD1 ASN A 72 4.348 7.240 4.469 1.00 0.00 O ATOM 1084 ND2 ASN A 72 6.077 8.540 4.174 1.00 0.00 N ATOM 0 H ASN A 72 7.632 3.964 4.045 1.00 0.00 H new ATOM 0 HA ASN A 72 5.736 5.227 5.764 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.426 6.320 4.194 1.00 0.00 H new ATOM 0 HB3 ASN A 72 6.373 5.896 2.858 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.513 9.369 4.363 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.069 8.637 3.956 1.00 0.00 H new ATOM 1091 N ALA A 73 4.537 3.640 3.159 1.00 0.00 N ATOM 1092 CA ALA A 73 3.268 3.167 2.545 1.00 0.00 C ATOM 1093 C ALA A 73 2.616 2.122 3.451 1.00 0.00 C ATOM 1094 O ALA A 73 1.431 2.169 3.718 1.00 0.00 O ATOM 1095 CB ALA A 73 3.572 2.540 1.182 1.00 0.00 C ATOM 0 H ALA A 73 5.387 3.252 2.750 1.00 0.00 H new ATOM 0 HA ALA A 73 2.588 4.010 2.420 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.645 2.191 0.727 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.036 3.284 0.535 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.251 1.698 1.312 1.00 0.00 H new ATOM 1101 N GLN A 74 3.380 1.173 3.921 1.00 0.00 N ATOM 1102 CA GLN A 74 2.816 0.112 4.803 1.00 0.00 C ATOM 1103 C GLN A 74 2.182 0.739 6.047 1.00 0.00 C ATOM 1104 O GLN A 74 1.093 0.378 6.446 1.00 0.00 O ATOM 1105 CB GLN A 74 3.939 -0.834 5.236 1.00 0.00 C ATOM 1106 CG GLN A 74 4.403 -1.661 4.036 1.00 0.00 C ATOM 1107 CD GLN A 74 5.628 -2.489 4.430 1.00 0.00 C ATOM 1108 OE1 GLN A 74 6.238 -2.244 5.452 1.00 0.00 O ATOM 1109 NE2 GLN A 74 6.016 -3.466 3.657 1.00 0.00 N ATOM 0 H GLN A 74 4.378 1.087 3.730 1.00 0.00 H new ATOM 0 HA GLN A 74 2.053 -0.438 4.252 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.774 -0.262 5.641 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.588 -1.492 6.031 1.00 0.00 H new ATOM 0 HG2 GLN A 74 3.600 -2.317 3.701 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.648 -1.004 3.201 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.504 -3.672 2.799 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.831 -4.024 3.911 1.00 0.00 H new ATOM 1118 N TYR A 75 2.856 1.663 6.676 1.00 0.00 N ATOM 1119 CA TYR A 75 2.287 2.289 7.901 1.00 0.00 C ATOM 1120 C TYR A 75 0.992 3.030 7.561 1.00 0.00 C ATOM 1121 O TYR A 75 0.054 3.030 8.333 1.00 0.00 O ATOM 1122 CB TYR A 75 3.299 3.262 8.508 1.00 0.00 C ATOM 1123 CG TYR A 75 2.782 3.767 9.833 1.00 0.00 C ATOM 1124 CD1 TYR A 75 1.980 4.913 9.881 1.00 0.00 C ATOM 1125 CD2 TYR A 75 3.103 3.089 11.015 1.00 0.00 C ATOM 1126 CE1 TYR A 75 1.500 5.382 11.110 1.00 0.00 C ATOM 1127 CE2 TYR A 75 2.624 3.557 12.244 1.00 0.00 C ATOM 1128 CZ TYR A 75 1.821 4.703 12.291 1.00 0.00 C ATOM 1129 OH TYR A 75 1.348 5.165 13.502 1.00 0.00 O ATOM 0 H TYR A 75 3.773 2.010 6.395 1.00 0.00 H new ATOM 0 HA TYR A 75 2.066 1.506 8.626 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.259 2.765 8.646 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.468 4.098 7.829 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.731 5.436 8.969 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.721 2.204 10.978 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.882 6.267 11.147 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.874 3.034 13.156 1.00 0.00 H new ATOM 0 HH TYR A 75 1.662 4.578 14.221 1.00 0.00 H new ATOM 1139 N LEU A 76 0.918 3.659 6.419 1.00 0.00 N ATOM 1140 CA LEU A 76 -0.338 4.383 6.072 1.00 0.00 C ATOM 1141 C LEU A 76 -1.429 3.360 5.750 1.00 0.00 C ATOM 1142 O LEU A 76 -2.605 3.668 5.769 1.00 0.00 O ATOM 1143 CB LEU A 76 -0.111 5.303 4.868 1.00 0.00 C ATOM 1144 CG LEU A 76 0.874 6.426 5.235 1.00 0.00 C ATOM 1145 CD1 LEU A 76 1.433 7.051 3.954 1.00 0.00 C ATOM 1146 CD2 LEU A 76 0.165 7.516 6.054 1.00 0.00 C ATOM 0 H LEU A 76 1.661 3.703 5.721 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.646 4.997 6.918 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.280 4.727 4.029 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.059 5.732 4.545 1.00 0.00 H new ATOM 0 HG LEU A 76 1.682 6.001 5.830 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.131 7.847 4.212 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.951 6.288 3.373 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.615 7.463 3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.876 8.303 6.305 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.651 7.938 5.468 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.234 7.081 6.971 1.00 0.00 H new ATOM 1158 N LEU A 77 -1.056 2.139 5.475 1.00 0.00 N ATOM 1159 CA LEU A 77 -2.080 1.097 5.176 1.00 0.00 C ATOM 1160 C LEU A 77 -2.622 0.552 6.502 1.00 0.00 C ATOM 1161 O LEU A 77 -3.813 0.399 6.687 1.00 0.00 O ATOM 1162 CB LEU A 77 -1.437 -0.046 4.364 1.00 0.00 C ATOM 1163 CG LEU A 77 -1.392 0.319 2.866 1.00 0.00 C ATOM 1164 CD1 LEU A 77 -0.334 -0.534 2.159 1.00 0.00 C ATOM 1165 CD2 LEU A 77 -2.755 0.061 2.203 1.00 0.00 C ATOM 0 H LEU A 77 -0.088 1.819 5.445 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.893 1.528 4.592 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.428 -0.237 4.729 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.006 -0.965 4.504 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.144 1.377 2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.305 -0.274 1.101 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.642 -0.347 2.606 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.586 -1.589 2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.702 0.325 1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.013 -0.993 2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.518 0.668 2.691 1.00 0.00 H new ATOM 1177 N GLN A 78 -1.742 0.256 7.422 1.00 0.00 N ATOM 1178 CA GLN A 78 -2.174 -0.285 8.743 1.00 0.00 C ATOM 1179 C GLN A 78 -3.046 0.742 9.479 1.00 0.00 C ATOM 1180 O GLN A 78 -4.005 0.394 10.139 1.00 0.00 O ATOM 1181 CB GLN A 78 -0.926 -0.587 9.589 1.00 0.00 C ATOM 1182 CG GLN A 78 -0.289 -1.901 9.124 1.00 0.00 C ATOM 1183 CD GLN A 78 1.038 -2.114 9.856 1.00 0.00 C ATOM 1184 OE1 GLN A 78 1.211 -1.583 11.036 1.00 0.00 O flip ATOM 1185 NE2 GLN A 78 1.927 -2.769 9.350 1.00 0.00 N flip ATOM 0 H GLN A 78 -0.734 0.367 7.313 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.754 -1.194 8.586 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.208 0.228 9.498 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.198 -0.657 10.642 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -0.963 -2.734 9.322 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -0.122 -1.875 8.047 1.00 0.00 H new ATOM 0 HE21 GLN A 78 1.793 -3.184 8.428 1.00 0.00 H new ATOM 0 HE22 GLN A 78 2.807 -2.904 9.847 1.00 0.00 H new ATOM 1194 N ASN A 79 -2.718 2.005 9.380 1.00 0.00 N ATOM 1195 CA ASN A 79 -3.536 3.038 10.088 1.00 0.00 C ATOM 1196 C ASN A 79 -4.816 3.321 9.297 1.00 0.00 C ATOM 1197 O ASN A 79 -5.795 3.775 9.854 1.00 0.00 O ATOM 1198 CB ASN A 79 -2.729 4.321 10.293 1.00 0.00 C ATOM 1199 CG ASN A 79 -3.515 5.283 11.185 1.00 0.00 C ATOM 1200 OD1 ASN A 79 -4.604 5.696 10.841 1.00 0.00 O ATOM 1201 ND2 ASN A 79 -3.006 5.657 12.327 1.00 0.00 N ATOM 0 H ASN A 79 -1.927 2.364 8.845 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.810 2.655 11.071 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.767 4.089 10.750 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.520 4.789 9.331 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -3.523 6.296 12.931 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.091 5.310 12.616 1.00 0.00 H new ATOM 1208 N SER A 80 -4.843 3.058 8.021 1.00 0.00 N ATOM 1209 CA SER A 80 -6.104 3.330 7.276 1.00 0.00 C ATOM 1210 C SER A 80 -7.166 2.367 7.809 1.00 0.00 C ATOM 1211 O SER A 80 -8.326 2.702 7.917 1.00 0.00 O ATOM 1212 CB SER A 80 -5.894 3.125 5.772 1.00 0.00 C ATOM 1213 OG SER A 80 -7.031 3.612 5.070 1.00 0.00 O ATOM 0 H SER A 80 -4.071 2.677 7.474 1.00 0.00 H new ATOM 0 HA SER A 80 -6.420 4.363 7.421 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.997 3.649 5.443 1.00 0.00 H new ATOM 0 HB3 SER A 80 -5.743 2.068 5.555 1.00 0.00 H new ATOM 0 HG SER A 80 -6.900 3.484 4.107 1.00 0.00 H new ATOM 1219 N VAL A 81 -6.772 1.168 8.132 1.00 0.00 N ATOM 1220 CA VAL A 81 -7.745 0.164 8.649 1.00 0.00 C ATOM 1221 C VAL A 81 -8.599 0.779 9.759 1.00 0.00 C ATOM 1222 O VAL A 81 -9.794 0.571 9.818 1.00 0.00 O ATOM 1223 CB VAL A 81 -6.982 -1.043 9.208 1.00 0.00 C ATOM 1224 CG1 VAL A 81 -7.949 -2.216 9.384 1.00 0.00 C ATOM 1225 CG2 VAL A 81 -5.859 -1.441 8.243 1.00 0.00 C ATOM 0 H VAL A 81 -5.810 0.837 8.060 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.395 -0.153 7.833 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.546 -0.781 10.172 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.410 -3.076 9.781 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.742 -1.933 10.077 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.385 -2.476 8.420 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.320 -2.299 8.645 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.287 -1.702 7.275 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.170 -0.605 8.121 1.00 0.00 H new